smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1CC[N@H+]2C[C@H]3CCC[NH+]4CCC[C@@H]([C@H]34)[C@@H]2C1 ZINC000005085266 342757936 /nfs/dbraw/zinc/75/79/36/342757936.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 2 1 234.387 2.345 40 0 BEABMP C1CC[NH+]2C[C@H]3CCC[N@@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085266 342757937 /nfs/dbraw/zinc/75/79/37/342757937.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 2 1 234.387 2.345 40 0 BEABMP C1CC[NH+]2C[C@H]3CCC[N@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085266 342757938 /nfs/dbraw/zinc/75/79/38/342757938.db2.gz UENROKUHQFYYJA-KBXIAJHMSA-N 2 1 234.387 2.345 40 0 BEABMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000242495503 259326146 /nfs/dbraw/zinc/32/61/46/259326146.db2.gz GFXBIRRVJPEUAA-ZLKJLUDKSA-N 2 1 234.343 2.226 40 0 BEABMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC000051919484 259371812 /nfs/dbraw/zinc/37/18/12/259371812.db2.gz IDELVAFMEUDTNS-AWEZNQCLSA-N 2 1 247.386 2.293 40 0 BEABMP C1CC[NH+]2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000054962088 188300470 /nfs/dbraw/zinc/30/04/70/188300470.db2.gz SLRCCWJSBJZJBV-KBXIAJHMSA-N 2 1 234.387 2.345 40 0 BEABMP [NH3+]CCOC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079390681 181399635 /nfs/dbraw/zinc/39/96/35/181399635.db2.gz CASWRKZWJGTYJM-HNNXBMFYSA-N 2 1 248.370 2.016 40 0 BEABMP CCC[N@H+](Cc1ccco1)C[C@H]1CCC[NH2+]C1 ZINC000096523667 169178657 /nfs/dbraw/zinc/17/86/57/169178657.db2.gz WBKDXHIFLJPJEK-ZDUSSCGKSA-N 2 1 236.359 2.491 40 0 BEABMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000034264451 383861779 /nfs/dbraw/zinc/86/17/79/383861779.db2.gz BMFDRCPVKBNLAA-CQSZACIVSA-N 2 1 230.355 2.261 40 0 BEABMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040435017 384152420 /nfs/dbraw/zinc/15/24/20/384152420.db2.gz XCLVAOPYVNRSPN-CQSZACIVSA-N 2 1 218.344 2.247 40 0 BEABMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000095775687 384394867 /nfs/dbraw/zinc/39/48/67/384394867.db2.gz LATNVBUKYCPGPI-QWHCGFSZSA-N 2 1 204.317 2.046 40 0 BEABMP [NH3+][C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000096523560 385268752 /nfs/dbraw/zinc/26/87/52/385268752.db2.gz BDSHWQKGRNAEMW-ZDUSSCGKSA-N 2 1 210.365 2.380 40 0 BEABMP [NH3+][C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000096523560 385268756 /nfs/dbraw/zinc/26/87/56/385268756.db2.gz BDSHWQKGRNAEMW-ZDUSSCGKSA-N 2 1 210.365 2.380 40 0 BEABMP c1cc2c(s1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000334971420 387056982 /nfs/dbraw/zinc/05/69/82/387056982.db2.gz VUUYFNJLVSMYOY-LLVKDONJSA-N 2 1 236.384 2.106 40 0 BEABMP CC(C)[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242463764 388743159 /nfs/dbraw/zinc/74/31/59/388743159.db2.gz DJVXIHARCMXVJD-ZYHUDNBSSA-N 2 1 248.374 2.291 40 0 BEABMP C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000015042366 176101150 /nfs/dbraw/zinc/10/11/50/176101150.db2.gz UKIVFVFEUQUYJF-GFCCVEGCSA-N 2 1 218.344 2.377 40 0 BEABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000019437464 177099863 /nfs/dbraw/zinc/09/98/63/177099863.db2.gz WNLYZIYEIXEIGU-NSHDSACASA-N 2 1 231.343 2.203 40 0 BEABMP Cc1cc(F)cc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000067801083 178076416 /nfs/dbraw/zinc/07/64/16/178076416.db2.gz JWAHFSRGGRLATO-UHFFFAOYSA-N 2 1 222.307 2.057 40 0 BEABMP CCC(CC)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050986 168353342 /nfs/dbraw/zinc/35/33/42/168353342.db2.gz SLNLOWMOGGDALQ-CYBMUJFWSA-N 2 1 210.365 2.251 40 0 BEABMP CCC(CC)C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050986 168353343 /nfs/dbraw/zinc/35/33/43/168353343.db2.gz SLNLOWMOGGDALQ-CYBMUJFWSA-N 2 1 210.365 2.251 40 0 BEABMP Cc1c(F)cccc1C[NH+]1CCC([NH3+])CC1 ZINC000034510882 187257002 /nfs/dbraw/zinc/25/70/02/187257002.db2.gz GUYUAUJPZKSXRC-UHFFFAOYSA-N 2 1 222.307 2.057 40 0 BEABMP [NH3+]CCCNc1cc[nH+]c2ccc(F)cc12 ZINC000212274642 181383757 /nfs/dbraw/zinc/38/37/57/181383757.db2.gz KMFUVNLSZGIDGC-UHFFFAOYSA-N 2 1 219.263 2.135 40 0 BEABMP CCC[N@H+]1CCC[C@H]1CCC[NH2+]C1CC1 ZINC000218328326 169199790 /nfs/dbraw/zinc/19/97/90/169199790.db2.gz FRUNNUFRMISXBV-CYBMUJFWSA-N 2 1 210.365 2.393 40 0 BEABMP c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000079438004 183396979 /nfs/dbraw/zinc/39/69/79/183396979.db2.gz BNNLBKGITSVWMS-UHFFFAOYSA-N 2 1 230.355 2.403 40 0 BEABMP c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC000026894970 183398246 /nfs/dbraw/zinc/39/82/46/183398246.db2.gz AQDOFQYPDSIZHN-HNNXBMFYSA-N 2 1 230.355 2.405 40 0 BEABMP c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC000026894970 183398249 /nfs/dbraw/zinc/39/82/49/183398249.db2.gz AQDOFQYPDSIZHN-HNNXBMFYSA-N 2 1 230.355 2.405 40 0 BEABMP CC[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 ZINC000068947596 384024887 /nfs/dbraw/zinc/02/48/87/384024887.db2.gz NTCMKNDWEWHATO-UHFFFAOYSA-N 2 1 210.365 2.108 40 0 BEABMP CCC[C@H]([NH3+])C[N@H+](C)CCc1ccccc1 ZINC000083852697 384910821 /nfs/dbraw/zinc/91/08/21/384910821.db2.gz DDQWMWDOYWLRLU-AWEZNQCLSA-N 2 1 220.360 2.288 40 0 BEABMP CCC[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1 ZINC000083852697 384910825 /nfs/dbraw/zinc/91/08/25/384910825.db2.gz DDQWMWDOYWLRLU-AWEZNQCLSA-N 2 1 220.360 2.288 40 0 BEABMP CC[N@@H+](CC[C@H]([NH3+])C(C)C)Cc1ccncc1 ZINC000096523800 385266469 /nfs/dbraw/zinc/26/64/69/385266469.db2.gz NTKBNNVXCPVXJR-AWEZNQCLSA-N 2 1 235.375 2.277 40 0 BEABMP Cc1c[nH]c([C@H]2CCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000257219270 385752960 /nfs/dbraw/zinc/75/29/60/385752960.db2.gz DGFRPGWTXMNWCF-NSHDSACASA-N 2 1 228.299 2.107 40 0 BEABMP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cc(C)on3)C2)n1 ZINC000257252611 385757353 /nfs/dbraw/zinc/75/73/53/385757353.db2.gz JVKXSNHWOYOHAX-LLVKDONJSA-N 2 1 246.314 2.004 40 0 BEABMP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257337929 385763279 /nfs/dbraw/zinc/76/32/79/385763279.db2.gz YVBHIHJNPHJDBO-JTQLQIEISA-N 2 1 248.355 2.164 40 0 BEABMP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cncs3)C2)n1 ZINC000257337930 385763651 /nfs/dbraw/zinc/76/36/51/385763651.db2.gz YVBHIHJNPHJDBO-SNVBAGLBSA-N 2 1 248.355 2.164 40 0 BEABMP C[N@H+]1C[C@@H](c2ccccc2)C2(C1)CC[NH2+]CC2 ZINC000072389374 173189206 /nfs/dbraw/zinc/18/92/06/173189206.db2.gz JTCAIIRJIBHROI-AWEZNQCLSA-N 2 1 230.355 2.085 40 0 BEABMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000100243797 173205758 /nfs/dbraw/zinc/20/57/58/173205758.db2.gz IJBWOPMYRYEKGI-QDMKHBRRSA-N 2 1 230.355 2.401 40 0 BEABMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000242495502 259325928 /nfs/dbraw/zinc/32/59/28/259325928.db2.gz GFXBIRRVJPEUAA-GDLCADMTSA-N 2 1 234.343 2.226 40 0 BEABMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000195537167 180245278 /nfs/dbraw/zinc/24/52/78/180245278.db2.gz BKLYYGDFUQLEKM-RRFJBIMHSA-N 2 1 245.370 2.383 40 0 BEABMP c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)co1 ZINC000096260733 183328559 /nfs/dbraw/zinc/32/85/59/183328559.db2.gz RMUFOJJYMOGXSB-UHFFFAOYSA-N 2 1 239.278 2.281 40 0 BEABMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000034264452 383862786 /nfs/dbraw/zinc/86/27/86/383862786.db2.gz BMFDRCPVKBNLAA-AWEZNQCLSA-N 2 1 230.355 2.261 40 0 BEABMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000095775689 384395070 /nfs/dbraw/zinc/39/50/70/384395070.db2.gz LATNVBUKYCPGPI-STQMWFEESA-N 2 1 204.317 2.046 40 0 BEABMP CC(C)[C@@H]([NH3+])C[N@H+](C)CCc1ccccc1 ZINC000083852841 384911003 /nfs/dbraw/zinc/91/10/03/384911003.db2.gz GDFRWCWKZQLZAW-AWEZNQCLSA-N 2 1 220.360 2.144 40 0 BEABMP CC(C)[C@@H]([NH3+])C[N@@H+](C)CCc1ccccc1 ZINC000083852841 384911008 /nfs/dbraw/zinc/91/10/08/384911008.db2.gz GDFRWCWKZQLZAW-AWEZNQCLSA-N 2 1 220.360 2.144 40 0 BEABMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036810186 385570977 /nfs/dbraw/zinc/57/09/77/385570977.db2.gz AKHRXOPFAVJESK-GJZGRUSLSA-N 2 1 236.403 2.498 40 0 BEABMP Cc1c[nH]c([C@@H]2CCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000257219269 385752984 /nfs/dbraw/zinc/75/29/84/385752984.db2.gz DGFRPGWTXMNWCF-LLVKDONJSA-N 2 1 228.299 2.107 40 0 BEABMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057340743 388621410 /nfs/dbraw/zinc/62/14/10/388621410.db2.gz BQCVOJASHGIHDU-ZDUSSCGKSA-N 2 1 218.344 2.247 40 0 BEABMP CC(C)n1c[nH+]c2c1CCC[C@@H]2CC[NH3+] ZINC000076088499 388663013 /nfs/dbraw/zinc/66/30/13/388663013.db2.gz OFJFAGAKTXJUFG-SNVBAGLBSA-N 2 1 207.321 2.233 40 0 BEABMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000001641423 173006162 /nfs/dbraw/zinc/00/61/62/173006162.db2.gz YWMAWIWYSHEARC-CYBMUJFWSA-N 2 1 210.365 2.347 40 0 in-vitro BEABMP C[N@H+]1CCCC[C@H]1COc1ccc(C[NH3+])cc1 ZINC000020352304 173010102 /nfs/dbraw/zinc/01/01/02/173010102.db2.gz ISLOBPONDVTOBC-ZDUSSCGKSA-N 2 1 234.343 2.008 40 0 BEABMP COc1cccc2c(NCCC[NH3+])cc(C)[nH+]c12 ZINC000222689825 175300432 /nfs/dbraw/zinc/30/04/32/175300432.db2.gz WJIZFSGTJGTEOL-UHFFFAOYSA-N 2 1 245.326 2.313 40 0 BEABMP C[C@@H]1CCCC[N@H+]1Cc1cccc(OCC[NH3+])c1 ZINC000218746574 176074151 /nfs/dbraw/zinc/07/41/51/176074151.db2.gz GPRYBQHUVNBICF-CYBMUJFWSA-N 2 1 248.370 2.399 40 0 BEABMP Cc1cc(N(C)C)cc([C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000257300701 178094970 /nfs/dbraw/zinc/09/49/70/178094970.db2.gz RVJMLTOQBUEDTH-GFCCVEGCSA-N 2 1 233.359 2.265 40 0 BEABMP CCC(CC)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050987 168352159 /nfs/dbraw/zinc/35/21/59/168352159.db2.gz SLNLOWMOGGDALQ-ZDUSSCGKSA-N 2 1 210.365 2.251 40 0 BEABMP CCC(CC)C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050987 168352161 /nfs/dbraw/zinc/35/21/61/168352161.db2.gz SLNLOWMOGGDALQ-ZDUSSCGKSA-N 2 1 210.365 2.251 40 0 BEABMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCCC1CC1 ZINC000096528426 343759059 /nfs/dbraw/zinc/75/90/59/343759059.db2.gz XHBNKOVUKJPPPU-ZDUSSCGKSA-N 2 1 210.365 2.251 40 0 BEABMP CC[N@H+]1CCC[C@H]1C[NH2+]CCCC1CC1 ZINC000096528426 343759060 /nfs/dbraw/zinc/75/90/60/343759060.db2.gz XHBNKOVUKJPPPU-ZDUSSCGKSA-N 2 1 210.365 2.251 40 0 BEABMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218855324 187319133 /nfs/dbraw/zinc/31/91/33/187319133.db2.gz KQAPSBRQIROFNT-ZIAGYGMSSA-N 2 1 234.343 2.055 40 0 BEABMP CCCn1c[nH+]c2c1CCC[C@H]2CC[NH3+] ZINC000217784084 187319173 /nfs/dbraw/zinc/31/91/73/187319173.db2.gz PIKKXKMYCILZCV-JTQLQIEISA-N 2 1 207.321 2.062 40 0 BEABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096251695 191056067 /nfs/dbraw/zinc/05/60/67/191056067.db2.gz JEWIBWVDQXTDOA-KKUMJFAQSA-N 2 1 230.355 2.385 40 0 BEABMP C[C@@H]1CC([NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000034725289 188285349 /nfs/dbraw/zinc/28/53/49/188285349.db2.gz VVQHCVRZYPYZNW-ONXXMXGDSA-N 2 1 218.344 2.387 40 0 BEABMP CCCn1c[nH+]c2c1CCC[C@@H]2CC[NH3+] ZINC000217783994 188355468 /nfs/dbraw/zinc/35/54/68/188355468.db2.gz PIKKXKMYCILZCV-SNVBAGLBSA-N 2 1 207.321 2.062 40 0 BEABMP C[N@H+](CCc1ccccn1)CC1([NH3+])CCCCC1 ZINC000020074371 371226684 /nfs/dbraw/zinc/22/66/84/371226684.db2.gz FCBPRBXGRKQZON-UHFFFAOYSA-N 2 1 247.386 2.218 40 0 BEABMP C[N@@H+](CCc1ccccn1)CC1([NH3+])CCCCC1 ZINC000020074371 371226687 /nfs/dbraw/zinc/22/66/87/371226687.db2.gz FCBPRBXGRKQZON-UHFFFAOYSA-N 2 1 247.386 2.218 40 0 BEABMP CCC[N@H+](Cc1ccco1)CC1CC[NH2+]CC1 ZINC000094011826 169178427 /nfs/dbraw/zinc/17/84/27/169178427.db2.gz XWIFZZZRKXRSPQ-UHFFFAOYSA-N 2 1 236.359 2.491 40 0 BEABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072355929 383839806 /nfs/dbraw/zinc/83/98/06/383839806.db2.gz KNUWXIWCRCDCSN-NSHDSACASA-N 2 1 228.299 2.000 40 0 BEABMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000257653946 385774092 /nfs/dbraw/zinc/77/40/92/385774092.db2.gz DXUBUSVWUCVWQW-UHFFFAOYSA-N 2 1 249.358 2.009 40 0 BEABMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH2+]CC2 ZINC000257653946 385774096 /nfs/dbraw/zinc/77/40/96/385774096.db2.gz DXUBUSVWUCVWQW-UHFFFAOYSA-N 2 1 249.358 2.009 40 0 BEABMP [NH3+]C[C@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000212746758 387491838 /nfs/dbraw/zinc/49/18/38/387491838.db2.gz LEMUKCPOVGHJHT-HUUCEWRRSA-N 2 1 230.355 2.247 40 0 BEABMP CCC[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242722757 388400456 /nfs/dbraw/zinc/40/04/56/388400456.db2.gz XUDDQMRVXJSXHV-CABCVRRESA-N 2 1 232.371 2.288 40 0 BEABMP c1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257711793 388628512 /nfs/dbraw/zinc/62/85/12/388628512.db2.gz SYZWXNYMZUAEQA-UHFFFAOYSA-N 2 1 236.384 2.324 40 0 BEABMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218887024 175190360 /nfs/dbraw/zinc/19/03/60/175190360.db2.gz GFXBIRRVJPEUAA-BPNCWPANSA-N 2 1 234.343 2.226 40 0 BEABMP C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000055144244 640438591 /nfs/dbraw/zinc/43/85/91/640438591.db2.gz RKCSTEYXULIVGG-UHFFFAOYSA-N 2 1 218.344 2.388 40 0 BEABMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242687894 259326079 /nfs/dbraw/zinc/32/60/79/259326079.db2.gz UZKWLRCARZKULO-LSDHHAIUSA-N 2 1 232.371 2.287 40 0 BEABMP C[N@@H+](CCCCCC[NH3+])CCc1ccncc1 ZINC000048260170 343055000 /nfs/dbraw/zinc/05/50/00/343055000.db2.gz CONCMWRFOIENHW-UHFFFAOYSA-N 2 1 235.375 2.075 40 0 BEABMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccncc1 ZINC000051919485 259371858 /nfs/dbraw/zinc/37/18/58/259371858.db2.gz IDELVAFMEUDTNS-CQSZACIVSA-N 2 1 247.386 2.293 40 0 BEABMP C(=C/c1ccccc1)\CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000079439249 187281816 /nfs/dbraw/zinc/28/18/16/187281816.db2.gz ZXOMGXZWDRHMEO-ULYATVDSSA-N 2 1 230.355 2.432 40 0 BEABMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000195537159 180244239 /nfs/dbraw/zinc/24/42/39/180244239.db2.gz BKLYYGDFUQLEKM-ZNMIVQPWSA-N 2 1 245.370 2.383 40 0 BEABMP NCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816274 181396617 /nfs/dbraw/zinc/39/66/17/181396617.db2.gz UUIZJDJMUFRKJB-ZDUSSCGKSA-N 2 1 229.327 2.094 40 0 BEABMP [NH3+]CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816274 181396619 /nfs/dbraw/zinc/39/66/19/181396619.db2.gz UUIZJDJMUFRKJB-ZDUSSCGKSA-N 2 1 229.327 2.094 40 0 BEABMP [NH3+]CCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000222678755 181398245 /nfs/dbraw/zinc/39/82/45/181398245.db2.gz XNUNBNVOCRASEW-UHFFFAOYSA-N 2 1 221.691 2.259 40 0 BEABMP C[NH2+][C@@]1(C[NH+]2CCCC2)CCc2ccccc2C1 ZINC000022029095 383906922 /nfs/dbraw/zinc/90/69/22/383906922.db2.gz UBDASNATHZNUNT-INIZCTEOSA-N 2 1 244.382 2.229 40 0 BEABMP Fc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000053149724 384767602 /nfs/dbraw/zinc/76/76/02/384767602.db2.gz SSQRQWCJQQTVGN-UHFFFAOYSA-N 2 1 242.725 2.321 40 0 BEABMP C[C@H]([NH2+]CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000037712443 386099089 /nfs/dbraw/zinc/09/90/89/386099089.db2.gz LOHUAMCHNGBEBX-MWKHJINRSA-N 2 1 222.376 2.140 40 0 BEABMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218856859 386301886 /nfs/dbraw/zinc/30/18/86/386301886.db2.gz LRGCLQBNHQXGJI-CHWSQXEVSA-N 2 1 222.307 2.185 40 0 BEABMP CC(C)n1c[nH+]c2c1CCC[C@H]2CC[NH3+] ZINC000076088503 388663430 /nfs/dbraw/zinc/66/34/30/388663430.db2.gz OFJFAGAKTXJUFG-JTQLQIEISA-N 2 1 207.321 2.233 40 0 BEABMP CC(C)[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242463763 388743395 /nfs/dbraw/zinc/74/33/95/388743395.db2.gz DJVXIHARCMXVJD-PWSUYJOCSA-N 2 1 248.374 2.291 40 0 BEABMP CCCCC[N@H+]1C[C@@H]2C[NH2+][C@@H](C)[C@@H](C2)C1 ZINC000095093776 388759231 /nfs/dbraw/zinc/75/92/31/388759231.db2.gz NRFXECJVXVXGFW-AVGNSLFASA-N 2 1 210.365 2.106 40 0 BEABMP C[NH2+]CCCNc1cc[nH+]c2ccc(F)cc12 ZINC000222678397 173349600 /nfs/dbraw/zinc/34/96/00/173349600.db2.gz HIBMBFRFDTXVPY-UHFFFAOYSA-N 2 1 233.290 2.395 40 0 BEABMP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000218855401 175112392 /nfs/dbraw/zinc/11/23/92/175112392.db2.gz KQAPSBRQIROFNT-KGLIPLIRSA-N 2 1 234.343 2.055 40 0 BEABMP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058563 168351648 /nfs/dbraw/zinc/35/16/48/168351648.db2.gz QPIGDWOZNNWOQA-OLZOCXBDSA-N 2 1 210.365 2.249 40 0 BEABMP Cc1ccccc1[C@](C)(C[NH3+])[NH+]1CCCC1 ZINC000070453397 259313814 /nfs/dbraw/zinc/31/38/14/259313814.db2.gz MMOFUEINCYYSKT-AWEZNQCLSA-N 2 1 218.344 2.265 40 0 BEABMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000085303038 180244705 /nfs/dbraw/zinc/24/47/05/180244705.db2.gz BKLYYGDFUQLEKM-QLFBSQMISA-N 2 1 245.370 2.383 40 0 BEABMP C1CC[N@H+]2C[C@@H]3CCC[NH+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276896 /nfs/dbraw/zinc/27/68/96/188276896.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 2 1 234.387 2.345 40 0 BEABMP C1CC[NH+]2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@@H]2C1)[C@H]34 ZINC000005085265 188276897 /nfs/dbraw/zinc/27/68/97/188276897.db2.gz UENROKUHQFYYJA-XGUBFFRZSA-N 2 1 234.387 2.345 40 0 BEABMP C([C@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)[NH+]1CCCC1 ZINC000039982818 188291446 /nfs/dbraw/zinc/29/14/46/188291446.db2.gz WYMMZJPKJFWTSS-BFHYXJOUSA-N 2 1 222.376 2.251 40 0 BEABMP C([C@H]1CCC[NH2+]C1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000216241999 371726511 /nfs/dbraw/zinc/72/65/11/371726511.db2.gz RSFGURGCIUVVEK-SOUVJXGZSA-N 2 1 236.403 2.498 40 0 BEABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000072344158 384208797 /nfs/dbraw/zinc/20/87/97/384208797.db2.gz IWAXLLIJRVKGKT-LBPRGKRZSA-N 2 1 242.326 2.043 40 0 BEABMP CC(C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000072356983 384210128 /nfs/dbraw/zinc/21/01/28/384210128.db2.gz HDZMXGIFJMATSD-LBPRGKRZSA-N 2 1 221.348 2.083 40 0 BEABMP C[N@@H+](CCCCC[NH3+])CCc1ccccc1 ZINC000083852668 384911159 /nfs/dbraw/zinc/91/11/59/384911159.db2.gz UWWGLJNYPVTMEY-UHFFFAOYSA-N 2 1 220.360 2.290 40 0 BEABMP C[C@@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886611 385911684 /nfs/dbraw/zinc/91/16/84/385911684.db2.gz VJNYIIHZUKMQSU-WXHSDQCUSA-N 2 1 204.317 2.217 40 0 BEABMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH2+]CC2 ZINC000306131248 385991060 /nfs/dbraw/zinc/99/10/60/385991060.db2.gz JZERYCJVLDCAJG-ZDUSSCGKSA-N 2 1 234.343 2.244 40 0 BEABMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH2+]CC2 ZINC000306131247 385991737 /nfs/dbraw/zinc/99/17/37/385991737.db2.gz JZERYCJVLDCAJG-CYBMUJFWSA-N 2 1 234.343 2.244 40 0 BEABMP [NH3+]CC[C@@H]1CCCc2c1[nH+]cn2CC1CC1 ZINC000217783620 388381871 /nfs/dbraw/zinc/38/18/71/388381871.db2.gz YRBSJIYCBZJFBO-NSHDSACASA-N 2 1 219.332 2.062 40 0 BEABMP CCC[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242722758 388400504 /nfs/dbraw/zinc/40/05/04/388400504.db2.gz XUDDQMRVXJSXHV-GJZGRUSLSA-N 2 1 232.371 2.288 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470050 388652339 /nfs/dbraw/zinc/65/23/39/388652339.db2.gz SNFUJVJQOTZTSH-MELADBBJSA-N 2 1 224.392 2.482 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252470050 388652341 /nfs/dbraw/zinc/65/23/41/388652341.db2.gz SNFUJVJQOTZTSH-MELADBBJSA-N 2 1 224.392 2.482 40 0 BEABMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000011888673 173378778 /nfs/dbraw/zinc/37/87/78/173378778.db2.gz JOOMZMXXEQECFS-CQSZACIVSA-N 2 1 218.344 2.118 40 0 BEABMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019518878 176073276 /nfs/dbraw/zinc/07/32/76/176073276.db2.gz HZXPTOCSCMRGCB-LLVKDONJSA-N 2 1 231.343 2.345 40 0 BEABMP Cc1cc(N(C)C)cc([C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000257300702 178095322 /nfs/dbraw/zinc/09/53/22/178095322.db2.gz RVJMLTOQBUEDTH-LBPRGKRZSA-N 2 1 233.359 2.265 40 0 BEABMP C([C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]12)[NH+]1CCCC1 ZINC000102224563 191065047 /nfs/dbraw/zinc/06/50/47/191065047.db2.gz WYMMZJPKJFWTSS-MCIONIFRSA-N 2 1 222.376 2.251 40 0 BEABMP Cc1ccccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301463 360871220 /nfs/dbraw/zinc/87/12/20/360871220.db2.gz DYKNNWZFYNBZCF-UHFFFAOYSA-N 2 1 218.344 2.179 40 0 BEABMP NCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816273 181396847 /nfs/dbraw/zinc/39/68/47/181396847.db2.gz UUIZJDJMUFRKJB-CYBMUJFWSA-N 2 1 229.327 2.094 40 0 BEABMP [NH3+]CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816273 181396848 /nfs/dbraw/zinc/39/68/48/181396848.db2.gz UUIZJDJMUFRKJB-CYBMUJFWSA-N 2 1 229.327 2.094 40 0 BEABMP C[C@@H]1[NH2+]C[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095093769 371248552 /nfs/dbraw/zinc/24/85/52/371248552.db2.gz JVNQIVFIOMMCFT-QEJZJMRPSA-N 2 1 230.355 2.116 40 0 BEABMP CCC[N@@H+](CCCC[NH3+])Cc1ccco1 ZINC000096523769 169154078 /nfs/dbraw/zinc/15/40/78/169154078.db2.gz FLXPLGAYHVAPNT-UHFFFAOYSA-N 2 1 210.321 2.231 40 0 BEABMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000051919167 169170964 /nfs/dbraw/zinc/17/09/64/169170964.db2.gz WHAIHBHSWKEUPX-CYBMUJFWSA-N 2 1 224.392 2.498 40 0 BEABMP CCC[N@H+]1CCC[C@@H]1CCC[NH2+]C1CC1 ZINC000218328249 169196389 /nfs/dbraw/zinc/19/63/89/169196389.db2.gz FRUNNUFRMISXBV-ZDUSSCGKSA-N 2 1 210.365 2.393 40 0 BEABMP C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000036301431 383897886 /nfs/dbraw/zinc/89/78/86/383897886.db2.gz SKBAIGOYWZKQCV-UHFFFAOYSA-N 2 1 222.307 2.010 40 0 BEABMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000036301431 383897892 /nfs/dbraw/zinc/89/78/92/383897892.db2.gz SKBAIGOYWZKQCV-UHFFFAOYSA-N 2 1 222.307 2.010 40 0 BEABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000072344159 384208574 /nfs/dbraw/zinc/20/85/74/384208574.db2.gz AJHQXQOQMNVBOZ-UHFFFAOYSA-N 2 1 242.326 2.043 40 0 BEABMP C[NH+](C)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000057362387 384943565 /nfs/dbraw/zinc/94/35/65/384943565.db2.gz WKIRLSHMPKXHRF-UHFFFAOYSA-N 2 1 226.751 2.381 40 0 BEABMP CC[N@@H+](CC[C@@H]([NH3+])C(C)C)Cc1ccncc1 ZINC000096523801 385269764 /nfs/dbraw/zinc/26/97/64/385269764.db2.gz NTKBNNVXCPVXJR-CQSZACIVSA-N 2 1 235.375 2.277 40 0 BEABMP C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000242688179 385747440 /nfs/dbraw/zinc/74/74/40/385747440.db2.gz VJNYIIHZUKMQSU-UHTWSYAYSA-N 2 1 204.317 2.217 40 0 BEABMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218856937 386302835 /nfs/dbraw/zinc/30/28/35/386302835.db2.gz LRGCLQBNHQXGJI-QWHCGFSZSA-N 2 1 222.307 2.185 40 0 BEABMP c1cc2c(s1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334971421 387056536 /nfs/dbraw/zinc/05/65/36/387056536.db2.gz VUUYFNJLVSMYOY-NSHDSACASA-N 2 1 236.384 2.106 40 0 BEABMP CC(C)[C@@H]([NH3+])CC[N@H+]1CCc2ccccc2C1 ZINC000058058356 388373483 /nfs/dbraw/zinc/37/34/83/388373483.db2.gz HLZSQODFLMPYFM-HNNXBMFYSA-N 2 1 232.371 2.418 40 0 BEABMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000242390317 388580620 /nfs/dbraw/zinc/58/06/20/388580620.db2.gz AKHRXOPFAVJESK-CABCVRRESA-N 2 1 236.403 2.498 40 0 BEABMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096268653 173140991 /nfs/dbraw/zinc/14/09/91/173140991.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 2 1 236.384 2.276 40 0 BEABMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096268653 173140992 /nfs/dbraw/zinc/14/09/92/173140992.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 2 1 236.384 2.276 40 0 BEABMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096268653 173140994 /nfs/dbraw/zinc/14/09/94/173140994.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 2 1 236.384 2.276 40 0 BEABMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096268653 173140996 /nfs/dbraw/zinc/14/09/96/173140996.db2.gz FXAUFSFRSZAMEP-CYBMUJFWSA-N 2 1 236.384 2.276 40 0 BEABMP COc1ccc(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000096523530 175089859 /nfs/dbraw/zinc/08/98/59/175089859.db2.gz MEMLZBJRSGVPGS-CQSZACIVSA-N 2 1 248.370 2.051 40 0 BEABMP COc1ccc(CCC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000096523530 175089861 /nfs/dbraw/zinc/08/98/61/175089861.db2.gz MEMLZBJRSGVPGS-CQSZACIVSA-N 2 1 248.370 2.051 40 0 BEABMP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218855253 175112249 /nfs/dbraw/zinc/11/22/49/175112249.db2.gz KQAPSBRQIROFNT-KBPBESRZSA-N 2 1 234.343 2.055 40 0 BEABMP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH3+])c2)C1 ZINC000218746712 176102036 /nfs/dbraw/zinc/10/20/36/176102036.db2.gz HTLNIOLIFFDYEG-CYBMUJFWSA-N 2 1 248.370 2.256 40 0 BEABMP C[C@H](c1ccc(F)cc1)[NH+]1CCC([NH3+])CC1 ZINC000026514873 177034392 /nfs/dbraw/zinc/03/43/92/177034392.db2.gz PAUUNFCYVMQSCI-SNVBAGLBSA-N 2 1 222.307 2.310 40 0 BEABMP C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019518879 177077233 /nfs/dbraw/zinc/07/72/33/177077233.db2.gz HZXPTOCSCMRGCB-NSHDSACASA-N 2 1 231.343 2.345 40 0 BEABMP C[C@H]1CCC[N@@H+](Cc2cccc(C[NH3+])c2)C1 ZINC000015042369 177101053 /nfs/dbraw/zinc/10/10/53/177101053.db2.gz UKIVFVFEUQUYJF-LBPRGKRZSA-N 2 1 218.344 2.377 40 0 BEABMP C1=C2CCC[NH2+][C@H]2[C@@H]2C[C@H]1[C@@H]1CCCC[N@@H+]1C2 ZINC000002565952 343584612 /nfs/dbraw/zinc/58/46/12/343584612.db2.gz SKOLRLSBMUGVOY-LJISPDSOSA-N 2 1 232.371 2.169 40 0 BEABMP C1=C2CCC[NH2+][C@H]2[C@@H]2C[C@H]1[C@@H]1CCCC[N@H+]1C2 ZINC000002565952 343584615 /nfs/dbraw/zinc/58/46/15/343584615.db2.gz SKOLRLSBMUGVOY-LJISPDSOSA-N 2 1 232.371 2.169 40 0 BEABMP C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC000043704793 343585838 /nfs/dbraw/zinc/58/58/38/343585838.db2.gz SKOLRLSBMUGVOY-YJNKXOJESA-N 2 1 232.371 2.169 40 0 BEABMP C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC000043704793 343585843 /nfs/dbraw/zinc/58/58/43/343585843.db2.gz SKOLRLSBMUGVOY-YJNKXOJESA-N 2 1 232.371 2.169 40 0 BEABMP Cc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000011888315 179275026 /nfs/dbraw/zinc/27/50/26/179275026.db2.gz ISFLRLLQTOSUHF-CYBMUJFWSA-N 2 1 218.344 2.166 40 0 BEABMP C[C@@H]([NH2+]CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000037712444 364544548 /nfs/dbraw/zinc/54/45/48/364544548.db2.gz LOHUAMCHNGBEBX-ZGCIAEMCSA-N 2 1 222.376 2.140 40 0 BEABMP CCC[N@H+](Cc1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000096523666 169178397 /nfs/dbraw/zinc/17/83/97/169178397.db2.gz WBKDXHIFLJPJEK-CYBMUJFWSA-N 2 1 236.359 2.491 40 0 BEABMP C[NH+](C)CCC[N@H+]1CCC2(C1)CCSCC2 ZINC000001603885 383912687 /nfs/dbraw/zinc/91/26/87/383912687.db2.gz LXFXJXKHUYWETH-UHFFFAOYSA-N 2 1 242.432 2.157 40 0 BEABMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000095775690 384395713 /nfs/dbraw/zinc/39/57/13/384395713.db2.gz LATNVBUKYCPGPI-CHWSQXEVSA-N 2 1 204.317 2.046 40 0 BEABMP Fc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1 ZINC000049665273 384557444 /nfs/dbraw/zinc/55/74/44/384557444.db2.gz RBLKQPSNRKTOOZ-UHFFFAOYSA-N 2 1 222.307 2.011 40 0 BEABMP [NH3+][C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000096523507 385269244 /nfs/dbraw/zinc/26/92/44/385269244.db2.gz QDCDHPAYFIOVID-AWEZNQCLSA-N 2 1 218.344 2.042 40 0 BEABMP [NH3+][C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523507 385269247 /nfs/dbraw/zinc/26/92/47/385269247.db2.gz QDCDHPAYFIOVID-AWEZNQCLSA-N 2 1 218.344 2.042 40 0 BEABMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000072411158 410027751 /nfs/dbraw/zinc/02/77/51/410027751.db2.gz RZBAYURBQUDRQO-CHWSQXEVSA-N 2 1 222.307 2.185 40 0 BEABMP CC(C)Nc1ccc(C[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000072388950 167144934 /nfs/dbraw/zinc/14/49/34/167144934.db2.gz BHPBEWLVXXKBRP-GFCCVEGCSA-N 2 1 219.332 2.054 40 0 BEABMP CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019514069 170108055 /nfs/dbraw/zinc/10/80/55/170108055.db2.gz SJWKLNGMIHLOJX-UHFFFAOYSA-N 2 1 218.344 2.261 40 0 BEABMP C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000037469347 173322563 /nfs/dbraw/zinc/32/25/63/173322563.db2.gz KTZBYAOFMQNKOH-UHFFFAOYSA-N 2 1 218.344 2.179 40 0 BEABMP C[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH3+])c2)C1 ZINC000218746759 177101193 /nfs/dbraw/zinc/10/11/93/177101193.db2.gz HTLNIOLIFFDYEG-ZDUSSCGKSA-N 2 1 248.370 2.256 40 0 BEABMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000085303036 180244643 /nfs/dbraw/zinc/24/46/43/180244643.db2.gz BKLYYGDFUQLEKM-ILXRZTDVSA-N 2 1 245.370 2.383 40 0 BEABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356937 180266970 /nfs/dbraw/zinc/26/69/70/180266970.db2.gz NTJDMPPNAHKLDL-CYBMUJFWSA-N 2 1 221.348 2.312 40 0 BEABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000072356937 180266974 /nfs/dbraw/zinc/26/69/74/180266974.db2.gz NTJDMPPNAHKLDL-CYBMUJFWSA-N 2 1 221.348 2.312 40 0 BEABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072355930 188131663 /nfs/dbraw/zinc/13/16/63/188131663.db2.gz KNUWXIWCRCDCSN-LLVKDONJSA-N 2 1 228.299 2.000 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275844 369384620 /nfs/dbraw/zinc/38/46/20/369384620.db2.gz SNFUJVJQOTZTSH-MGPQQGTHSA-N 2 1 224.392 2.482 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275844 369384627 /nfs/dbraw/zinc/38/46/27/369384627.db2.gz SNFUJVJQOTZTSH-MGPQQGTHSA-N 2 1 224.392 2.482 40 0 BEABMP CCC[C@@H]([NH3+])C[N@H+](C)CCc1ccccc1 ZINC000083852698 169393173 /nfs/dbraw/zinc/39/31/73/169393173.db2.gz DDQWMWDOYWLRLU-CQSZACIVSA-N 2 1 220.360 2.288 40 0 BEABMP CCC[C@@H]([NH3+])C[N@@H+](C)CCc1ccccc1 ZINC000083852698 169393174 /nfs/dbraw/zinc/39/31/74/169393174.db2.gz DDQWMWDOYWLRLU-CQSZACIVSA-N 2 1 220.360 2.288 40 0 BEABMP [NH3+]C[C@@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216594442 384168830 /nfs/dbraw/zinc/16/88/30/384168830.db2.gz LEMUKCPOVGHJHT-GJZGRUSLSA-N 2 1 230.355 2.247 40 0 BEABMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000057362365 384943254 /nfs/dbraw/zinc/94/32/54/384943254.db2.gz SLPVNMDJHFRRFN-UHFFFAOYSA-N 2 1 236.359 2.127 40 0 BEABMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810185 385571544 /nfs/dbraw/zinc/57/15/44/385571544.db2.gz AKHRXOPFAVJESK-LSDHHAIUSA-N 2 1 236.403 2.498 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810207 385571752 /nfs/dbraw/zinc/57/17/52/385571752.db2.gz SNFUJVJQOTZTSH-BFHYXJOUSA-N 2 1 224.392 2.482 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810207 385571753 /nfs/dbraw/zinc/57/17/53/385571753.db2.gz SNFUJVJQOTZTSH-BFHYXJOUSA-N 2 1 224.392 2.482 40 0 BEABMP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cc(C)on3)C2)n1 ZINC000257252612 385758730 /nfs/dbraw/zinc/75/87/30/385758730.db2.gz JVKXSNHWOYOHAX-NSHDSACASA-N 2 1 246.314 2.004 40 0 BEABMP CC[N@@H+](CCCCCC[NH3+])Cc1ccncc1 ZINC000042516894 387509359 /nfs/dbraw/zinc/50/93/59/387509359.db2.gz CAINLNMJYWXCPA-UHFFFAOYSA-N 2 1 235.375 2.423 40 0 BEABMP FC(F)CNc1cc[nH+]c(C2CC[NH2+]CC2)c1 ZINC000257324337 388698085 /nfs/dbraw/zinc/69/80/85/388698085.db2.gz WOFACNYVAMLUTA-UHFFFAOYSA-N 2 1 241.285 2.226 40 0 BEABMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000004539025 173007702 /nfs/dbraw/zinc/00/77/02/173007702.db2.gz YWMAWIWYSHEARC-ZDUSSCGKSA-N 2 1 210.365 2.347 40 0 in-vitro BEABMP CC[NH+](CC)CCNC(=[NH2+])c1ccccc1C ZINC000001685206 136207219 /nfs/dbraw/zinc/20/72/19/136207219.db2.gz RAYACBJSIZBXEK-UHFFFAOYSA-N 2 1 233.359 2.252 40 0 BEABMP Cc1ccccc1[C@@](C)(C[NH3+])[NH+]1CCCC1 ZINC000070453396 259313770 /nfs/dbraw/zinc/31/37/70/259313770.db2.gz MMOFUEINCYYSKT-CQSZACIVSA-N 2 1 218.344 2.265 40 0 BEABMP Cc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000011888313 179275249 /nfs/dbraw/zinc/27/52/49/179275249.db2.gz ISFLRLLQTOSUHF-ZDUSSCGKSA-N 2 1 218.344 2.166 40 0 BEABMP CC(C)[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810208 347775958 /nfs/dbraw/zinc/77/59/58/347775958.db2.gz SNFUJVJQOTZTSH-MJBXVCDLSA-N 2 1 224.392 2.482 40 0 BEABMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810208 347775961 /nfs/dbraw/zinc/77/59/61/347775961.db2.gz SNFUJVJQOTZTSH-MJBXVCDLSA-N 2 1 224.392 2.482 40 0 BEABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000072356938 180267928 /nfs/dbraw/zinc/26/79/28/180267928.db2.gz NTJDMPPNAHKLDL-ZDUSSCGKSA-N 2 1 221.348 2.312 40 0 BEABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072356938 180267931 /nfs/dbraw/zinc/26/79/31/180267931.db2.gz NTJDMPPNAHKLDL-ZDUSSCGKSA-N 2 1 221.348 2.312 40 0 BEABMP COc1ccc([C@H](CN)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038827599 350323674 /nfs/dbraw/zinc/32/36/74/350323674.db2.gz JQNIKZXOVAYJTM-DOMZBBRYSA-N 2 1 248.370 2.427 40 0 BEABMP COc1ccc([C@H](CN)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038827599 350323679 /nfs/dbraw/zinc/32/36/79/350323679.db2.gz JQNIKZXOVAYJTM-DOMZBBRYSA-N 2 1 248.370 2.427 40 0 BEABMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040435018 384152009 /nfs/dbraw/zinc/15/20/09/384152009.db2.gz XCLVAOPYVNRSPN-AWEZNQCLSA-N 2 1 218.344 2.247 40 0 BEABMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccncc1 ZINC000042516899 384153476 /nfs/dbraw/zinc/15/34/76/384153476.db2.gz CWUMCFPQVNRQAE-UHFFFAOYSA-N 2 1 247.386 2.293 40 0 BEABMP [NH3+][C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000096523561 385267493 /nfs/dbraw/zinc/26/74/93/385267493.db2.gz BDSHWQKGRNAEMW-CYBMUJFWSA-N 2 1 210.365 2.380 40 0 BEABMP [NH3+][C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000096523561 385267500 /nfs/dbraw/zinc/26/75/00/385267500.db2.gz BDSHWQKGRNAEMW-CYBMUJFWSA-N 2 1 210.365 2.380 40 0 BEABMP Cc1c[nH]c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000257293008 385761175 /nfs/dbraw/zinc/76/11/75/385761175.db2.gz QNUIBMQJISTPBG-GFCCVEGCSA-N 2 1 242.326 2.497 40 0 BEABMP [NH3+]CC[C@H]1CCCc2c1[nH+]cn2CC1CC1 ZINC000217783692 388382229 /nfs/dbraw/zinc/38/22/29/388382229.db2.gz YRBSJIYCBZJFBO-LLVKDONJSA-N 2 1 219.332 2.062 40 0 BEABMP C[NH2+][C@]1(C[NH+]2CCCC2)CCc2ccccc2C1 ZINC000022927774 173470251 /nfs/dbraw/zinc/47/02/51/173470251.db2.gz UBDASNATHZNUNT-MRXNPFEDSA-N 2 1 244.382 2.229 40 0 BEABMP Clc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000072202908 487995187 /nfs/dbraw/zinc/99/51/87/487995187.db2.gz MTIUEAPWQNCULQ-NSHDSACASA-N 2 1 238.762 2.429 40 0 BEABMP Cc1cc(F)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000038539810 178085959 /nfs/dbraw/zinc/08/59/59/178085959.db2.gz PWLVBDYSCSPABV-UHFFFAOYSA-N 2 1 222.307 2.057 40 0 BEABMP c1ccc(CCCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071536510 259314537 /nfs/dbraw/zinc/31/45/37/259314537.db2.gz XBDHOVMOYHPENB-UHFFFAOYSA-N 2 1 232.371 2.305 40 0 BEABMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242687891 259325979 /nfs/dbraw/zinc/32/59/79/259325979.db2.gz UZKWLRCARZKULO-GJZGRUSLSA-N 2 1 232.371 2.287 40 0 BEABMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242687892 259326184 /nfs/dbraw/zinc/32/61/84/259326184.db2.gz UZKWLRCARZKULO-HUUCEWRRSA-N 2 1 232.371 2.287 40 0 BEABMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCCC1CC1 ZINC000096528424 343759071 /nfs/dbraw/zinc/75/90/71/343759071.db2.gz XHBNKOVUKJPPPU-CYBMUJFWSA-N 2 1 210.365 2.251 40 0 BEABMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCCC1CC1 ZINC000096528424 343759072 /nfs/dbraw/zinc/75/90/72/343759072.db2.gz XHBNKOVUKJPPPU-CYBMUJFWSA-N 2 1 210.365 2.251 40 0 BEABMP Cc1nc([C@@]2(C)CCC[N@@H+](C)C2)cc2c[nH+]cn21 ZINC000585261104 344372930 /nfs/dbraw/zinc/37/29/30/344372930.db2.gz LLGNLBKMUKLEPT-AWEZNQCLSA-N 2 1 244.342 2.021 40 0 BEABMP Cc1nc([C@@]2(C)CCC[N@H+](C)C2)cc2c[nH+]cn21 ZINC000585261104 344372932 /nfs/dbraw/zinc/37/29/32/344372932.db2.gz LLGNLBKMUKLEPT-AWEZNQCLSA-N 2 1 244.342 2.021 40 0 BEABMP C(C1CCCC1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050967 188147603 /nfs/dbraw/zinc/14/76/03/188147603.db2.gz NUMRPODUOKMLBI-ZDUSSCGKSA-N 2 1 208.349 2.005 40 0 BEABMP C(C1CCCC1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050967 188147604 /nfs/dbraw/zinc/14/76/04/188147604.db2.gz NUMRPODUOKMLBI-ZDUSSCGKSA-N 2 1 208.349 2.005 40 0 BEABMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000051919165 169170144 /nfs/dbraw/zinc/17/01/44/169170144.db2.gz WHAIHBHSWKEUPX-ZDUSSCGKSA-N 2 1 224.392 2.498 40 0 BEABMP c1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000079437988 183397620 /nfs/dbraw/zinc/39/76/20/183397620.db2.gz LXGNUKBPISEFSE-CQSZACIVSA-N 2 1 230.355 2.261 40 0 BEABMP C[NH+](C)CCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001676227 383919698 /nfs/dbraw/zinc/91/96/98/383919698.db2.gz KPIFYCALUBLAEA-BETUJISGSA-N 2 1 210.365 2.060 40 0 BEABMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000095775701 384395057 /nfs/dbraw/zinc/39/50/57/384395057.db2.gz LATNVBUKYCPGPI-OLZOCXBDSA-N 2 1 204.317 2.046 40 0 BEABMP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)[NH2+]C3)cc1 ZINC000020286456 384609250 /nfs/dbraw/zinc/60/92/50/384609250.db2.gz JDYIDFQYKVUYEK-GJZGRUSLSA-N 2 1 230.355 2.261 40 0 BEABMP C([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000242649035 388400053 /nfs/dbraw/zinc/40/00/53/388400053.db2.gz RSFGURGCIUVVEK-KFWWJZLASA-N 2 1 236.403 2.498 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470049 388652623 /nfs/dbraw/zinc/65/26/23/388652623.db2.gz SNFUJVJQOTZTSH-HZSPNIEDSA-N 2 1 224.392 2.482 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252470049 388652625 /nfs/dbraw/zinc/65/26/25/388652625.db2.gz SNFUJVJQOTZTSH-HZSPNIEDSA-N 2 1 224.392 2.482 40 0 BEABMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000072411154 410028241 /nfs/dbraw/zinc/02/82/41/410028241.db2.gz RZBAYURBQUDRQO-QWHCGFSZSA-N 2 1 222.307 2.185 40 0 BEABMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886881 175189530 /nfs/dbraw/zinc/18/95/30/175189530.db2.gz GFXBIRRVJPEUAA-LEWSCRJBSA-N 2 1 234.343 2.226 40 0 BEABMP Clc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000072202907 487994829 /nfs/dbraw/zinc/99/48/29/487994829.db2.gz MTIUEAPWQNCULQ-LLVKDONJSA-N 2 1 238.762 2.429 40 0 BEABMP Cc1cc(C[NH+]2CCC([NH3+])CC2)ccc1F ZINC000038539684 348703738 /nfs/dbraw/zinc/70/37/38/348703738.db2.gz GDJVHRBXAMDEPS-UHFFFAOYSA-N 2 1 222.307 2.057 40 0 BEABMP C([C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)[NH+]1CCCC1 ZINC000102224558 191065065 /nfs/dbraw/zinc/06/50/65/191065065.db2.gz WYMMZJPKJFWTSS-MJBXVCDLSA-N 2 1 222.376 2.251 40 0 BEABMP CC(C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000072381402 188132165 /nfs/dbraw/zinc/13/21/65/188132165.db2.gz PFSDPGYZEPFTRG-UHFFFAOYSA-N 2 1 221.348 2.083 40 0 BEABMP Cc1ccc(F)cc1C[NH+]1CCC([NH3+])CC1 ZINC000038539892 357332104 /nfs/dbraw/zinc/33/21/04/357332104.db2.gz YSALZUKELBXGIJ-UHFFFAOYSA-N 2 1 222.307 2.057 40 0 BEABMP Cc1cc(-n2ccnc2)cc(C2CC[NH2+]CC2)[nH+]1 ZINC000205694372 369997749 /nfs/dbraw/zinc/99/77/49/369997749.db2.gz ZRRUKPCGLNGMFI-UHFFFAOYSA-N 2 1 242.326 2.043 40 0 BEABMP C[N@@H+](CCCCCC[NH3+])CCc1ccccn1 ZINC000020074305 371227153 /nfs/dbraw/zinc/22/71/53/371227153.db2.gz NRZFIRCXEXFIHN-UHFFFAOYSA-N 2 1 235.375 2.075 40 0 BEABMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 ZINC000042491178 169154624 /nfs/dbraw/zinc/15/46/24/169154624.db2.gz OATQFTYTIGMRDN-UHFFFAOYSA-N 2 1 224.392 2.498 40 0 BEABMP c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC000026894967 183398967 /nfs/dbraw/zinc/39/89/67/183398967.db2.gz AQDOFQYPDSIZHN-OAHLLOKOSA-N 2 1 230.355 2.405 40 0 BEABMP c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC000026894967 183398968 /nfs/dbraw/zinc/39/89/68/183398968.db2.gz AQDOFQYPDSIZHN-OAHLLOKOSA-N 2 1 230.355 2.405 40 0 BEABMP [NH3+]C[C@@H]1C[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000216594403 384168677 /nfs/dbraw/zinc/16/86/77/384168677.db2.gz LEMUKCPOVGHJHT-LSDHHAIUSA-N 2 1 230.355 2.247 40 0 BEABMP C(C1CCCC1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050966 384429105 /nfs/dbraw/zinc/42/91/05/384429105.db2.gz NUMRPODUOKMLBI-CYBMUJFWSA-N 2 1 208.349 2.005 40 0 BEABMP C(C1CCCC1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050966 384429111 /nfs/dbraw/zinc/42/91/11/384429111.db2.gz NUMRPODUOKMLBI-CYBMUJFWSA-N 2 1 208.349 2.005 40 0 BEABMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096081875 384435993 /nfs/dbraw/zinc/43/59/93/384435993.db2.gz FYYCJQSQEQRLOU-RRFJBIMHSA-N 2 1 236.403 2.306 40 0 BEABMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218856814 386301943 /nfs/dbraw/zinc/30/19/43/386301943.db2.gz LRGCLQBNHQXGJI-STQMWFEESA-N 2 1 222.307 2.185 40 0 BEABMP C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886691 386514413 /nfs/dbraw/zinc/51/44/13/386514413.db2.gz VJNYIIHZUKMQSU-DRZSPHRISA-N 2 1 204.317 2.217 40 0 BEABMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242722760 388400495 /nfs/dbraw/zinc/40/04/95/388400495.db2.gz XUDDQMRVXJSXHV-LSDHHAIUSA-N 2 1 232.371 2.288 40 0 BEABMP CCC[N@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242722759 388400512 /nfs/dbraw/zinc/40/05/12/388400512.db2.gz XUDDQMRVXJSXHV-HUUCEWRRSA-N 2 1 232.371 2.288 40 0 BEABMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886958 175177869 /nfs/dbraw/zinc/17/78/69/175177869.db2.gz GFXBIRRVJPEUAA-SWHYSGLUSA-N 2 1 234.343 2.226 40 0 BEABMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([NH3+])CC1 ZINC000026514875 176015247 /nfs/dbraw/zinc/01/52/47/176015247.db2.gz PAUUNFCYVMQSCI-JTQLQIEISA-N 2 1 222.307 2.310 40 0 BEABMP C[C@H]1CCCC[N@H+]1Cc1cccc(OCC[NH3+])c1 ZINC000218746628 177076836 /nfs/dbraw/zinc/07/68/36/177076836.db2.gz GPRYBQHUVNBICF-ZDUSSCGKSA-N 2 1 248.370 2.399 40 0 BEABMP COc1ccc([C@H](CN)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038827600 350324271 /nfs/dbraw/zinc/32/42/71/350324271.db2.gz JQNIKZXOVAYJTM-WFASDCNBSA-N 2 1 248.370 2.427 40 0 BEABMP COc1ccc([C@H](CN)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038827600 350324273 /nfs/dbraw/zinc/32/42/73/350324273.db2.gz JQNIKZXOVAYJTM-WFASDCNBSA-N 2 1 248.370 2.427 40 0 BEABMP C1CC[NH+]2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]2C1 ZINC000000000721 188098502 /nfs/dbraw/zinc/09/85/02/188098502.db2.gz SLRCCWJSBJZJBV-BYNSBNAKSA-N 2 1 234.387 2.345 40 0 in-vitro BEABMP c1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000079437990 183396919 /nfs/dbraw/zinc/39/69/19/183396919.db2.gz LXGNUKBPISEFSE-AWEZNQCLSA-N 2 1 230.355 2.261 40 0 BEABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000104094821 384928612 /nfs/dbraw/zinc/92/86/12/384928612.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 2 1 232.371 2.460 40 0 BEABMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104094821 384928616 /nfs/dbraw/zinc/92/86/16/384928616.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 2 1 232.371 2.460 40 0 BEABMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104094821 384928628 /nfs/dbraw/zinc/92/86/28/384928628.db2.gz OUOCECDKBRCIDM-OAHLLOKOSA-N 2 1 232.371 2.460 40 0 BEABMP CC(C)[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515797 385257804 /nfs/dbraw/zinc/25/78/04/385257804.db2.gz DJVXIHARCMXVJD-CMPLNLGQSA-N 2 1 248.374 2.291 40 0 BEABMP [NH3+][C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000096523508 385269421 /nfs/dbraw/zinc/26/94/21/385269421.db2.gz QDCDHPAYFIOVID-CQSZACIVSA-N 2 1 218.344 2.042 40 0 BEABMP [NH3+][C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523508 385269425 /nfs/dbraw/zinc/26/94/25/385269425.db2.gz QDCDHPAYFIOVID-CQSZACIVSA-N 2 1 218.344 2.042 40 0 BEABMP [NH3+][C@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000096523513 385269525 /nfs/dbraw/zinc/26/95/25/385269525.db2.gz KDDMXPVXTDQVRK-ZDUSSCGKSA-N 2 1 210.365 2.380 40 0 BEABMP [NH3+][C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000096523513 385269528 /nfs/dbraw/zinc/26/95/28/385269528.db2.gz KDDMXPVXTDQVRK-ZDUSSCGKSA-N 2 1 210.365 2.380 40 0 BEABMP C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000242688178 385747575 /nfs/dbraw/zinc/74/75/75/385747575.db2.gz VJNYIIHZUKMQSU-CYZMBNFOSA-N 2 1 204.317 2.217 40 0 BEABMP C1CC[NH+]2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]2C1 ZINC000053683687 398104998 /nfs/dbraw/zinc/10/49/98/398104998.db2.gz SLRCCWJSBJZJBV-AJNGGQMLSA-N 2 1 234.387 2.345 40 0 in-vivo BEABMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH2+]CC2 ZINC000306128156 411508609 /nfs/dbraw/zinc/50/86/09/411508609.db2.gz GSDJHNKEIOHMEC-UHFFFAOYSA-N 2 1 245.370 2.046 40 0 BEABMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)SC)[C@H](C)C1 ZINC000090725123 170011294 /nfs/dbraw/zinc/01/12/94/170011294.db2.gz GLBSBOQHIMFMPB-IJLUTSLNSA-N 2 1 230.421 2.058 40 0 BEABMP C[N@H+]1CCCC[C@@H]1COc1ccc(C[NH3+])cc1 ZINC000020352302 173006020 /nfs/dbraw/zinc/00/60/20/173006020.db2.gz ISLOBPONDVTOBC-CYBMUJFWSA-N 2 1 234.343 2.008 40 0 BEABMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096268652 173167459 /nfs/dbraw/zinc/16/74/59/173167459.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 2 1 236.384 2.276 40 0 BEABMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096268652 173167460 /nfs/dbraw/zinc/16/74/60/173167460.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 2 1 236.384 2.276 40 0 BEABMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096268652 173167461 /nfs/dbraw/zinc/16/74/61/173167461.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 2 1 236.384 2.276 40 0 BEABMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096268652 173167462 /nfs/dbraw/zinc/16/74/62/173167462.db2.gz FXAUFSFRSZAMEP-ZDUSSCGKSA-N 2 1 236.384 2.276 40 0 BEABMP COc1ccc(C)c2c(NCCC[NH3+])cc[nH+]c12 ZINC000222682612 175070903 /nfs/dbraw/zinc/07/09/03/175070903.db2.gz XSUZSKDXOGCQAO-UHFFFAOYSA-N 2 1 245.326 2.313 40 0 BEABMP C[C@@H]1[NH2+]C[C@H]2C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000109325001 490270127 /nfs/dbraw/zinc/27/01/27/490270127.db2.gz JVNQIVFIOMMCFT-NWANDNLSSA-N 2 1 230.355 2.116 40 0 BEABMP [NH3+][C@H]1CC2CC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001560406746 991460457 /nfs/dbraw/zinc/46/04/57/991460457.db2.gz VRDZRXPTJGBQSB-CHWSQXEVSA-N 2 1 215.320 2.304 40 0 BEABMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242687889 259325972 /nfs/dbraw/zinc/32/59/72/259325972.db2.gz UZKWLRCARZKULO-CABCVRRESA-N 2 1 232.371 2.287 40 0 BEABMP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000218855178 398328864 /nfs/dbraw/zinc/32/88/64/398328864.db2.gz KQAPSBRQIROFNT-UONOGXRCSA-N 2 1 234.343 2.055 40 0 BEABMP C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@@H]1CCCC[N@@H+]1C2 ZINC000037242664 343585435 /nfs/dbraw/zinc/58/54/35/343585435.db2.gz SKOLRLSBMUGVOY-XGUBFFRZSA-N 2 1 232.371 2.169 40 0 BEABMP C1=C2CCC[NH2+][C@@H]2[C@@H]2C[C@H]1[C@@H]1CCCC[N@H+]1C2 ZINC000037242664 343585437 /nfs/dbraw/zinc/58/54/37/343585437.db2.gz SKOLRLSBMUGVOY-XGUBFFRZSA-N 2 1 232.371 2.169 40 0 BEABMP Cc1nc([C@]2(C)CCC[N@@H+](C)C2)cc2c[nH+]cn21 ZINC000585261105 344372947 /nfs/dbraw/zinc/37/29/47/344372947.db2.gz LLGNLBKMUKLEPT-CQSZACIVSA-N 2 1 244.342 2.021 40 0 BEABMP Cc1nc([C@]2(C)CCC[N@H+](C)C2)cc2c[nH+]cn21 ZINC000585261105 344372949 /nfs/dbraw/zinc/37/29/49/344372949.db2.gz LLGNLBKMUKLEPT-CQSZACIVSA-N 2 1 244.342 2.021 40 0 BEABMP C[C@H]1[NH2+]C[C@H]2C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000109325003 188151806 /nfs/dbraw/zinc/15/18/06/188151806.db2.gz JVNQIVFIOMMCFT-BPLDGKMQSA-N 2 1 230.355 2.116 40 0 BEABMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000098213731 181335107 /nfs/dbraw/zinc/33/51/07/181335107.db2.gz UKNQLVIOVZGXLR-UHFFFAOYSA-N 2 1 244.260 2.243 40 0 BEABMP C[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095093768 371248908 /nfs/dbraw/zinc/24/89/08/371248908.db2.gz JVNQIVFIOMMCFT-SNPRPXQTSA-N 2 1 230.355 2.116 40 0 BEABMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000036301448 383897633 /nfs/dbraw/zinc/89/76/33/383897633.db2.gz ACQDHZQEGWNFHW-UHFFFAOYSA-N 2 1 222.307 2.010 40 0 BEABMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000036301448 383897638 /nfs/dbraw/zinc/89/76/38/383897638.db2.gz ACQDHZQEGWNFHW-UHFFFAOYSA-N 2 1 222.307 2.010 40 0 BEABMP C(C1CCCCC1)[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050969 384428219 /nfs/dbraw/zinc/42/82/19/384428219.db2.gz JCGRMTKNJNLRDB-AWEZNQCLSA-N 2 1 222.376 2.395 40 0 BEABMP C(C1CCCCC1)[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC000096050969 384428227 /nfs/dbraw/zinc/42/82/27/384428227.db2.gz JCGRMTKNJNLRDB-AWEZNQCLSA-N 2 1 222.376 2.395 40 0 BEABMP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000057322201 384938710 /nfs/dbraw/zinc/93/87/10/384938710.db2.gz JBCZCAQAEQISHN-UHFFFAOYSA-N 2 1 226.751 2.381 40 0 BEABMP [NH3+][C@@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000096523514 385266780 /nfs/dbraw/zinc/26/67/80/385266780.db2.gz KDDMXPVXTDQVRK-CYBMUJFWSA-N 2 1 210.365 2.380 40 0 BEABMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000096523514 385266785 /nfs/dbraw/zinc/26/67/85/385266785.db2.gz KDDMXPVXTDQVRK-CYBMUJFWSA-N 2 1 210.365 2.380 40 0 BEABMP [NH3+][C@@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000096523550 385269586 /nfs/dbraw/zinc/26/95/86/385269586.db2.gz INDHTHGSTADQOH-OAHLLOKOSA-N 2 1 232.371 2.432 40 0 BEABMP [NH3+][C@@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523550 385269592 /nfs/dbraw/zinc/26/95/92/385269592.db2.gz INDHTHGSTADQOH-OAHLLOKOSA-N 2 1 232.371 2.432 40 0 BEABMP CC(C)[C@H]([NH3+])CC[N@H+]1CCc2ccccc2C1 ZINC000058058354 385514772 /nfs/dbraw/zinc/51/47/72/385514772.db2.gz HLZSQODFLMPYFM-OAHLLOKOSA-N 2 1 232.371 2.418 40 0 BEABMP C1C[C@H]2C[N@H+](C3CCCCC3)CC[C@@H]1[NH2+]2 ZINC000096058568 385905444 /nfs/dbraw/zinc/90/54/44/385905444.db2.gz CTMRLVAOXBORFK-NEPJUHHUSA-N 2 1 208.349 2.145 40 0 BEABMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886523 386514797 /nfs/dbraw/zinc/51/47/97/386514797.db2.gz VJNYIIHZUKMQSU-WCFLWFBJSA-N 2 1 204.317 2.217 40 0 BEABMP C(=C/c1ccccc1)\CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000079439245 387854620 /nfs/dbraw/zinc/85/46/20/387854620.db2.gz ZXOMGXZWDRHMEO-BCFOUKGLSA-N 2 1 230.355 2.432 40 0 BEABMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)SC)[C@@H](C)C1 ZINC000110704347 170012600 /nfs/dbraw/zinc/01/26/00/170012600.db2.gz GLBSBOQHIMFMPB-QJPTWQEYSA-N 2 1 230.421 2.058 40 0 BEABMP C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000104094818 173041746 /nfs/dbraw/zinc/04/17/46/173041746.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 2 1 232.371 2.460 40 0 BEABMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000104094818 173041748 /nfs/dbraw/zinc/04/17/48/173041748.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 2 1 232.371 2.460 40 0 BEABMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104094818 173041751 /nfs/dbraw/zinc/04/17/51/173041751.db2.gz OUOCECDKBRCIDM-HNNXBMFYSA-N 2 1 232.371 2.460 40 0 BEABMP C[NH2+]CCC[NH2+]Cc1ccccc1Cl ZINC000057362396 173349569 /nfs/dbraw/zinc/34/95/69/173349569.db2.gz XBTLWGWVAQBKIP-UHFFFAOYSA-N 2 1 212.724 2.039 40 0 BEABMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218886802 175177261 /nfs/dbraw/zinc/17/72/61/175177261.db2.gz GFXBIRRVJPEUAA-DDTOSNHZSA-N 2 1 234.343 2.226 40 0 BEABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000019437462 176100333 /nfs/dbraw/zinc/10/03/33/176100333.db2.gz WNLYZIYEIXEIGU-LLVKDONJSA-N 2 1 231.343 2.203 40 0 BEABMP Cc1cc(NCCCCCC[NH3+])nc(C)[nH+]1 ZINC000008731058 178158707 /nfs/dbraw/zinc/15/87/07/178158707.db2.gz SHIFDKWINBRMAD-UHFFFAOYSA-N 2 1 222.336 2.024 40 0 BEABMP C[NH+]1CCC(C)([NH2+]Cc2ccccc2)CC1 ZINC000072210169 259316631 /nfs/dbraw/zinc/31/66/31/259316631.db2.gz KLKNBHJUFAHFAA-UHFFFAOYSA-N 2 1 218.344 2.261 40 0 BEABMP CCc1nc(NCCCCCC[NH3+])cc(C)[nH+]1 ZINC000008731063 344243978 /nfs/dbraw/zinc/24/39/78/344243978.db2.gz KQTZAXADHKWYOB-UHFFFAOYSA-N 2 1 236.363 2.278 40 0 BEABMP C1C[C@@]2(CCC[NH2+]C2)[N@H+]1C1CCCCC1 ZINC000096050988 188147563 /nfs/dbraw/zinc/14/75/63/188147563.db2.gz ZJZXNJHRYRWZSY-CYBMUJFWSA-N 2 1 208.349 2.147 40 0 BEABMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036301446 360871042 /nfs/dbraw/zinc/87/10/42/360871042.db2.gz NSOOCEDJULBFJB-UHFFFAOYSA-N 2 1 218.344 2.179 40 0 BEABMP C(C1CCCCC1)[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050968 384428481 /nfs/dbraw/zinc/42/84/81/384428481.db2.gz JCGRMTKNJNLRDB-CQSZACIVSA-N 2 1 222.376 2.395 40 0 BEABMP C(C1CCCCC1)[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC000096050968 384428486 /nfs/dbraw/zinc/42/84/86/384428486.db2.gz JCGRMTKNJNLRDB-CQSZACIVSA-N 2 1 222.376 2.395 40 0 BEABMP [NH3+][C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000096523549 385268226 /nfs/dbraw/zinc/26/82/26/385268226.db2.gz INDHTHGSTADQOH-HNNXBMFYSA-N 2 1 232.371 2.432 40 0 BEABMP [NH3+][C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000096523549 385268233 /nfs/dbraw/zinc/26/82/33/385268233.db2.gz INDHTHGSTADQOH-HNNXBMFYSA-N 2 1 232.371 2.432 40 0 BEABMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000218856737 386302133 /nfs/dbraw/zinc/30/21/33/386302133.db2.gz LRGCLQBNHQXGJI-OLZOCXBDSA-N 2 1 222.307 2.185 40 0 BEABMP C(C1CC[NH2+]CC1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000108275809 388617877 /nfs/dbraw/zinc/61/78/77/388617877.db2.gz AKHRXOPFAVJESK-HUUCEWRRSA-N 2 1 236.403 2.498 40 0 BEABMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000072411159 410028273 /nfs/dbraw/zinc/02/82/73/410028273.db2.gz RZBAYURBQUDRQO-OLZOCXBDSA-N 2 1 222.307 2.185 40 0 BEABMP CC(C)Nc1ccc(C[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000072388949 167143454 /nfs/dbraw/zinc/14/34/54/167143454.db2.gz BHPBEWLVXXKBRP-LBPRGKRZSA-N 2 1 219.332 2.054 40 0 BEABMP C[N@H+]1C[C@H](c2ccccc2)C2(C1)CC[NH2+]CC2 ZINC000072389373 173196154 /nfs/dbraw/zinc/19/61/54/173196154.db2.gz JTCAIIRJIBHROI-CQSZACIVSA-N 2 1 230.355 2.085 40 0 BEABMP C[NH2+]C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037241589 173322988 /nfs/dbraw/zinc/32/29/88/173322988.db2.gz PMXHQLAASOMLDU-UHFFFAOYSA-N 2 1 218.344 2.179 40 0 BEABMP C[N@H+](CCc1ccncc1)CC1([NH3+])CCCCC1 ZINC000048260190 343055754 /nfs/dbraw/zinc/05/57/54/343055754.db2.gz VDOSXBFHALOEJK-UHFFFAOYSA-N 2 1 247.386 2.218 40 0 BEABMP C[N@@H+](CCc1ccncc1)CC1([NH3+])CCCCC1 ZINC000048260190 343055757 /nfs/dbraw/zinc/05/57/57/343055757.db2.gz VDOSXBFHALOEJK-UHFFFAOYSA-N 2 1 247.386 2.218 40 0 BEABMP C([C@H]1[NH2+]CC[C@H]2CCCC[C@H]21)[NH+]1CCCC1 ZINC000039982820 343394073 /nfs/dbraw/zinc/39/40/73/343394073.db2.gz WYMMZJPKJFWTSS-MGPQQGTHSA-N 2 1 222.376 2.251 40 0 BEABMP Cc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000032553278 179327843 /nfs/dbraw/zinc/32/78/43/179327843.db2.gz CEDPLZOCGRVWOY-ZDUSSCGKSA-N 2 1 204.317 2.091 40 0 BEABMP Cc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000032553278 179327847 /nfs/dbraw/zinc/32/78/47/179327847.db2.gz CEDPLZOCGRVWOY-ZDUSSCGKSA-N 2 1 204.317 2.091 40 0 BEABMP Cc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000032553279 179346778 /nfs/dbraw/zinc/34/67/78/179346778.db2.gz CEDPLZOCGRVWOY-CYBMUJFWSA-N 2 1 204.317 2.091 40 0 BEABMP Cc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000032553279 179346780 /nfs/dbraw/zinc/34/67/80/179346780.db2.gz CEDPLZOCGRVWOY-CYBMUJFWSA-N 2 1 204.317 2.091 40 0 BEABMP CC(C)[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515798 188148296 /nfs/dbraw/zinc/14/82/96/188148296.db2.gz DJVXIHARCMXVJD-JQWIXIFHSA-N 2 1 248.374 2.291 40 0 BEABMP [NH3+]CCOC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079390680 181399525 /nfs/dbraw/zinc/39/95/25/181399525.db2.gz CASWRKZWJGTYJM-OAHLLOKOSA-N 2 1 248.370 2.016 40 0 BEABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000072344157 384207733 /nfs/dbraw/zinc/20/77/33/384207733.db2.gz IWAXLLIJRVKGKT-GFCCVEGCSA-N 2 1 242.326 2.043 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@H+](C)CCc1ccccc1 ZINC000083852840 384912397 /nfs/dbraw/zinc/91/23/97/384912397.db2.gz GDFRWCWKZQLZAW-CQSZACIVSA-N 2 1 220.360 2.144 40 0 BEABMP CC(C)[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1 ZINC000083852840 384912403 /nfs/dbraw/zinc/91/24/03/384912403.db2.gz GDFRWCWKZQLZAW-CQSZACIVSA-N 2 1 220.360 2.144 40 0 BEABMP Cc1c[nH]c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000257293009 385761953 /nfs/dbraw/zinc/76/19/53/385761953.db2.gz QNUIBMQJISTPBG-LBPRGKRZSA-N 2 1 242.326 2.497 40 0 BEABMP CCOc1cccc2c(NCC[NH3+])cc(C)[nH+]c12 ZINC000222690283 386059035 /nfs/dbraw/zinc/05/90/35/386059035.db2.gz QNOBQBLRLPNDCI-UHFFFAOYSA-N 2 1 245.326 2.313 40 0 BEABMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000218886447 386514332 /nfs/dbraw/zinc/51/43/32/386514332.db2.gz VJNYIIHZUKMQSU-KGYLQXTDSA-N 2 1 204.317 2.217 40 0 BEABMP Clc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000053148313 387512650 /nfs/dbraw/zinc/51/26/50/387512650.db2.gz NEYRJXZGVYSDKQ-UHFFFAOYSA-N 2 1 224.735 2.182 40 0 BEABMP [NH3+]C[C@H]1C[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000212746704 387490952 /nfs/dbraw/zinc/49/09/52/387490952.db2.gz LEMUKCPOVGHJHT-CABCVRRESA-N 2 1 230.355 2.247 40 0 BEABMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000057340746 388621478 /nfs/dbraw/zinc/62/14/78/388621478.db2.gz BQCVOJASHGIHDU-CYBMUJFWSA-N 2 1 218.344 2.247 40 0 BEABMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000072411156 410028597 /nfs/dbraw/zinc/02/85/97/410028597.db2.gz RZBAYURBQUDRQO-STQMWFEESA-N 2 1 222.307 2.185 40 0 BEABMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000011888672 173368278 /nfs/dbraw/zinc/36/82/78/173368278.db2.gz JOOMZMXXEQECFS-AWEZNQCLSA-N 2 1 218.344 2.118 40 0 BEABMP COc1ccc(CCC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000096523529 175089832 /nfs/dbraw/zinc/08/98/32/175089832.db2.gz MEMLZBJRSGVPGS-AWEZNQCLSA-N 2 1 248.370 2.051 40 0 BEABMP COc1ccc(CCC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000096523529 175089834 /nfs/dbraw/zinc/08/98/34/175089834.db2.gz MEMLZBJRSGVPGS-AWEZNQCLSA-N 2 1 248.370 2.051 40 0 BEABMP