smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C[C@H]1C ZINC000000001941 386127632 /nfs/dbraw/zinc/12/76/32/386127632.db2.gz RTOHPIRUUAKHOZ-CZUORRHYSA-N 1 1 247.382 3.402 10 0 BGAEMO C[N@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000000004783 173166739 /nfs/dbraw/zinc/16/67/39/173166739.db2.gz KELNXILYABMXFF-NSHDSACASA-N 1 1 235.758 3.248 10 0 in-vitro BGAEMO [NH3+]Cc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000000008800 342669686 /nfs/dbraw/zinc/66/96/86/342669686.db2.gz GLUAAVLIPJCQET-UHFFFAOYSA-N 1 1 249.317 3.202 10 0 BGAEMO CCC[N@H+]1CCC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000000009463 169198459 /nfs/dbraw/zinc/19/84/59/169198459.db2.gz PXQVPBZSEWLGIX-UONOGXRCSA-N 1 1 245.366 3.296 10 0 BGAEMO CCC[N@H+]1CC[C@H]2c3cccc(OC)c3CC[C@H]21 ZINC000000013944 169208703 /nfs/dbraw/zinc/20/87/03/169208703.db2.gz VUKJBNUKLLGULS-DZGCQCFKSA-N 1 1 245.366 3.209 10 0 BGAEMO c1ccc2sc(C3=C[NH+]4CCC3CC4)nc2c1 ZINC000000017172 188098707 /nfs/dbraw/zinc/09/87/07/188098707.db2.gz NBAPIQQREIVGBA-UHFFFAOYSA-N 1 1 242.347 3.363 10 0 BGAEMO Cc1ccc(-c2[nH+]cc3ccccn32)cc1 ZINC000000809925 178338558 /nfs/dbraw/zinc/33/85/58/178338558.db2.gz FAOPGSXFQMCYRM-UHFFFAOYSA-N 1 1 208.264 3.310 10 0 BGAEMO Clc1ccc([C@@H]2[NH2+]CCCS2)cc1 ZINC000001596468 356987646 /nfs/dbraw/zinc/98/76/46/356987646.db2.gz QTUGKOYWNCJYIX-SNVBAGLBSA-N 1 1 213.733 3.065 10 0 BGAEMO c1ccc2c(c1)[nH]c1c2CC[N@@H+]2CCCC[C@@H]12 ZINC000001703731 388586785 /nfs/dbraw/zinc/58/67/85/388586785.db2.gz OURDZMSSMGUMKR-AWEZNQCLSA-N 1 1 226.323 3.251 10 0 BGAEMO c1ccc2c(c1)[nH]c1c2CC[N@H+]2CCCC[C@@H]12 ZINC000001703731 388586783 /nfs/dbraw/zinc/58/67/83/388586783.db2.gz OURDZMSSMGUMKR-AWEZNQCLSA-N 1 1 226.323 3.251 10 0 BGAEMO CCCC[N@H+]1CC[C@H]2c3ccccc3C[C@@H]2C1 ZINC000002014340 383943744 /nfs/dbraw/zinc/94/37/44/383943744.db2.gz FLQWELWUFIHCPK-GDBMZVCRSA-N 1 1 229.367 3.448 10 0 BGAEMO C[N@H+]1CCc2c(cccc2-c2ccccc2)C1 ZINC000002014648 173169979 /nfs/dbraw/zinc/16/99/79/173169979.db2.gz GRTWSHLGXBMSFT-UHFFFAOYSA-N 1 1 223.319 3.342 10 0 BGAEMO C[C@@H]1C[C@H](c2c[nH]c3ccccc23)[N@@H+](C)C1 ZINC000002016858 383943170 /nfs/dbraw/zinc/94/31/70/383943170.db2.gz CPVLDFVZMUZGDD-QMTHXVAHSA-N 1 1 214.312 3.181 10 0 BGAEMO C[C@H]1C[C@@H](c2c[nH]c3ccccc23)[N@@H+](C)C1 ZINC000002016859 177338653 /nfs/dbraw/zinc/33/86/53/177338653.db2.gz CPVLDFVZMUZGDD-HZMBPMFUSA-N 1 1 214.312 3.181 10 0 BGAEMO Clc1ccc([C@H]2[NH2+]CCCS2)cc1 ZINC000002036363 360424649 /nfs/dbraw/zinc/42/46/49/360424649.db2.gz QTUGKOYWNCJYIX-JTQLQIEISA-N 1 1 213.733 3.065 10 0 BGAEMO C[N@H+]1CCC[C@H]1c1c[nH]c2ccc(F)cc21 ZINC000002039227 368741755 /nfs/dbraw/zinc/74/17/55/368741755.db2.gz OBIXHSPVWCWIOW-ZDUSSCGKSA-N 1 1 218.275 3.074 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1c[nH]c2ccc(F)cc21 ZINC000002039229 368741729 /nfs/dbraw/zinc/74/17/29/368741729.db2.gz OBIXHSPVWCWIOW-CYBMUJFWSA-N 1 1 218.275 3.074 10 0 BGAEMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccccc1-3 ZINC000002386800 173171709 /nfs/dbraw/zinc/17/17/09/173171709.db2.gz BZKUYNBAFQJRDM-MRXNPFEDSA-N 1 1 235.330 3.439 10 0 in-vitro BGAEMO C[N@H+]1CCC[C@@H]1CNc1cccc2ccccc21 ZINC000002556883 173033366 /nfs/dbraw/zinc/03/33/66/173033366.db2.gz XNUJQYGTHGYURE-CQSZACIVSA-N 1 1 240.350 3.346 10 0 BGAEMO Cc1cccc(N2Cc3ccccc3C2=[NH2+])c1 ZINC000003111505 179123653 /nfs/dbraw/zinc/12/36/53/179123653.db2.gz IYKZJOCPSUUZTG-UHFFFAOYSA-N 1 1 222.291 3.341 10 0 BGAEMO CC[C@H](C)C[C@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602432 171299680 /nfs/dbraw/zinc/29/96/80/171299680.db2.gz IEMYFOOOVZNVLE-XJKSGUPXSA-N 1 1 247.382 3.402 10 0 BGAEMO CC(C)CC[C@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602435 166914511 /nfs/dbraw/zinc/91/45/11/166914511.db2.gz NBYLDDKRYIOEHF-INIZCTEOSA-N 1 1 247.382 3.402 10 0 BGAEMO CC(C)C[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602442 188096791 /nfs/dbraw/zinc/09/67/91/188096791.db2.gz LOZPKIOFRLDEQS-HNNXBMFYSA-N 1 1 233.355 3.012 10 0 BGAEMO CC(C)C[C@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602443 187242393 /nfs/dbraw/zinc/24/23/93/187242393.db2.gz LOZPKIOFRLDEQS-OAHLLOKOSA-N 1 1 233.355 3.012 10 0 BGAEMO Cc1ccc(C(=O)[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000003611085 388588413 /nfs/dbraw/zinc/58/84/13/388588413.db2.gz DHZOVKWINAURCF-CYBMUJFWSA-N 1 1 231.339 3.052 10 0 BGAEMO Cc1ccc(C(=O)[C@H](C)[NH+]2CCCCC2)cc1 ZINC000003611087 388588113 /nfs/dbraw/zinc/58/81/13/388588113.db2.gz DHZOVKWINAURCF-ZDUSSCGKSA-N 1 1 231.339 3.052 10 0 BGAEMO CCC[C@@]1(c2cccc(OCC)c2)CC[N@@H+](C)C1 ZINC000003628865 488039257 /nfs/dbraw/zinc/03/92/57/488039257.db2.gz CRIHJKFNPYBWGV-MRXNPFEDSA-N 1 1 247.382 3.459 10 0 BGAEMO CCC[C@]1(c2cccc(OCC)c2)CC[N@@H+](C)C1 ZINC000003628867 368875854 /nfs/dbraw/zinc/87/58/54/368875854.db2.gz CRIHJKFNPYBWGV-INIZCTEOSA-N 1 1 247.382 3.459 10 0 BGAEMO CC[N@H+]1CCCC12C1CC3CC(C1)CC2C3 ZINC000003637389 368876183 /nfs/dbraw/zinc/87/61/83/368876183.db2.gz AVCIHHZHVQVDPS-UHFFFAOYSA-N 1 1 219.372 3.297 10 0 BGAEMO CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](CC)C1 ZINC000003640191 350083621 /nfs/dbraw/zinc/08/36/21/350083621.db2.gz FRQRAKOYAOYKMF-MRXNPFEDSA-N 1 1 247.382 3.459 10 0 BGAEMO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](CC)C1 ZINC000003640193 368875936 /nfs/dbraw/zinc/87/59/36/368875936.db2.gz FRQRAKOYAOYKMF-INIZCTEOSA-N 1 1 247.382 3.459 10 0 BGAEMO CCC[C@@]1(c2cccc(OC)c2)CC[N@@H+](C)C1 ZINC000003640489 388588423 /nfs/dbraw/zinc/58/84/23/388588423.db2.gz PQUUAATYCNQHBX-OAHLLOKOSA-N 1 1 233.355 3.069 10 0 BGAEMO CCC[C@]1(c2cccc(OC)c2)CC[N@@H+](C)C1 ZINC000003640491 368877221 /nfs/dbraw/zinc/87/72/21/368877221.db2.gz PQUUAATYCNQHBX-HNNXBMFYSA-N 1 1 233.355 3.069 10 0 BGAEMO CC1(C)CC(=O)C[C@@H](c2cccc(Cl)c2)[NH2+]1 ZINC000003642867 384023485 /nfs/dbraw/zinc/02/34/85/384023485.db2.gz KKFNBHRKUHKNEC-LBPRGKRZSA-N 1 1 237.730 3.112 10 0 BGAEMO CC1(C)CC(=O)C[C@H](c2cccc(Cl)c2)[NH2+]1 ZINC000003642869 384021940 /nfs/dbraw/zinc/02/19/40/384021940.db2.gz KKFNBHRKUHKNEC-GFCCVEGCSA-N 1 1 237.730 3.112 10 0 BGAEMO CCC[N@H+]1CCC[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000003647318 342735791 /nfs/dbraw/zinc/73/57/91/342735791.db2.gz PXQVPBZSEWLGIX-ZIAGYGMSSA-N 1 1 245.366 3.296 10 0 BGAEMO CC1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC000003683559 168159831 /nfs/dbraw/zinc/15/98/31/168159831.db2.gz NIALBYYOBOMGJW-UHFFFAOYSA-N 1 1 247.382 3.060 10 0 BGAEMO CCCC[N@H+]1CC[C@@H]2c3ccccc3C[C@H]2C1 ZINC000003805467 368882813 /nfs/dbraw/zinc/88/28/13/368882813.db2.gz FLQWELWUFIHCPK-HOCLYGCPSA-N 1 1 229.367 3.448 10 0 BGAEMO c1c(C23CC4CC(CC(C4)C2)C3)[nH+]c2n1CCC2 ZINC000003901171 183321862 /nfs/dbraw/zinc/32/18/62/183321862.db2.gz RWOVBZAWLJURLF-UHFFFAOYSA-N 1 1 242.366 3.297 10 0 BGAEMO C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccccc13 ZINC000004102210 173168075 /nfs/dbraw/zinc/16/80/75/173168075.db2.gz IHBSVVZENGBQDY-BBWFWOEESA-N 1 1 241.378 3.375 10 0 in-vitro BGAEMO CCc1ccc2[nH]cc(C[C@H]3CCC[N@H+]3C)c2c1 ZINC000004393760 342861107 /nfs/dbraw/zinc/86/11/07/342861107.db2.gz XQBUOODGXPTQOQ-CQSZACIVSA-N 1 1 242.366 3.367 10 0 BGAEMO CC[C@@H]1C[N@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000004725789 171099724 /nfs/dbraw/zinc/09/97/24/171099724.db2.gz LIKYTYVIFASFSS-SMDDNHRTSA-N 1 1 205.345 3.361 10 0 BGAEMO CC[C@@H]1C[N@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725791 171099023 /nfs/dbraw/zinc/09/90/23/171099023.db2.gz LIKYTYVIFASFSS-FZMZJTMJSA-N 1 1 205.345 3.361 10 0 BGAEMO CCCn1c2ccccc2n2cc(C)[nH+]c21 ZINC000005285345 169614902 /nfs/dbraw/zinc/61/49/02/169614902.db2.gz ORLUMSOEBJAQIN-UHFFFAOYSA-N 1 1 213.284 3.007 10 0 BGAEMO CCC[N@H+]1CC[C@H]2c3c(cccc3OC)C[C@H]2C1 ZINC000005555056 169208870 /nfs/dbraw/zinc/20/88/70/169208870.db2.gz JUJJKXJJQWYOKH-UONOGXRCSA-N 1 1 245.366 3.067 10 0 BGAEMO CC[C@H](C)C[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000005599248 171296471 /nfs/dbraw/zinc/29/64/71/171296471.db2.gz IEMYFOOOVZNVLE-BBRMVZONSA-N 1 1 247.382 3.402 10 0 BGAEMO c1[nH+]c2n(c1C13CC4CC(CC(C4)C1)C3)CCC2 ZINC000005613417 346283579 /nfs/dbraw/zinc/28/35/79/346283579.db2.gz LIJWLOKELJKFNC-UHFFFAOYSA-N 1 1 242.366 3.297 10 0 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/nfs/dbraw/zinc/19/88/36/169198836.db2.gz ANYSYRVXKLTFPB-HIFRSBDPSA-N 1 1 245.366 3.296 10 0 BGAEMO C[N@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000005966795 173168635 /nfs/dbraw/zinc/16/86/35/173168635.db2.gz KELNXILYABMXFF-LLVKDONJSA-N 1 1 235.758 3.248 10 0 in-vitro BGAEMO C[N@H+]1CCc2cccc3c2[C@@H]1Cc1ccccc1-3 ZINC000005966962 173171460 /nfs/dbraw/zinc/17/14/60/173171460.db2.gz BZKUYNBAFQJRDM-INIZCTEOSA-N 1 1 235.330 3.439 10 0 in-vitro BGAEMO COc1ccc([C@H]2CC[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000006018429 342772795 /nfs/dbraw/zinc/77/27/95/342772795.db2.gz UEAIXQVDCJCSDU-GJZGRUSLSA-N 1 1 245.366 3.427 10 0 BGAEMO COc1ccc([C@H]2CC[C@H]3CCCC[N@H+]3C2)cc1 ZINC000006018432 342772866 /nfs/dbraw/zinc/77/28/66/342772866.db2.gz UEAIXQVDCJCSDU-LSDHHAIUSA-N 1 1 245.366 3.427 10 0 BGAEMO COc1cccc([C@H]2CC[C@@H]3CCCC[N@H+]3C2)c1 ZINC000006019076 342772607 /nfs/dbraw/zinc/77/26/07/342772607.db2.gz HNVOLBCVHXBBRP-GJZGRUSLSA-N 1 1 245.366 3.427 10 0 BGAEMO COc1cccc([C@H]2CC[C@H]3CCCC[N@H+]3C2)c1 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BGAEMO CCCCC[N@H+]1CCCc2cc(N)ccc21 ZINC000019875230 132328871 /nfs/dbraw/zinc/32/88/71/132328871.db2.gz APRAJEJPUAUGFW-UHFFFAOYSA-N 1 1 218.344 3.212 10 0 BGAEMO CCCCC[N@@H+]1CCCc2cc(N)ccc21 ZINC000019875230 132328870 /nfs/dbraw/zinc/32/88/70/132328870.db2.gz APRAJEJPUAUGFW-UHFFFAOYSA-N 1 1 218.344 3.212 10 0 BGAEMO CC(C)CC[N@H+]1CCCc2cc(N)ccc21 ZINC000019875240 132328850 /nfs/dbraw/zinc/32/88/50/132328850.db2.gz BOLXDQDFUUOFDB-UHFFFAOYSA-N 1 1 218.344 3.068 10 0 BGAEMO CC(C)CC[N@@H+]1CCCc2cc(N)ccc21 ZINC000019875240 132328849 /nfs/dbraw/zinc/32/88/49/132328849.db2.gz BOLXDQDFUUOFDB-UHFFFAOYSA-N 1 1 218.344 3.068 10 0 BGAEMO COc1ccccc1C[NH2+][C@@H](C)c1ccco1 ZINC000019903197 175329708 /nfs/dbraw/zinc/32/97/08/175329708.db2.gz REASTGFUHJOMAB-NSHDSACASA-N 1 1 231.295 3.139 10 0 BGAEMO COc1ccccc1C[NH2+][C@H](C)c1ccco1 ZINC000019903198 175331769 /nfs/dbraw/zinc/33/17/69/175331769.db2.gz REASTGFUHJOMAB-LLVKDONJSA-N 1 1 231.295 3.139 10 0 BGAEMO COc1ccccc1C[NH2+][C@@H](C)c1ccc(C)o1 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385160025 /nfs/dbraw/zinc/16/00/25/385160025.db2.gz GLMZKTLEKHDUNQ-SNVBAGLBSA-N 1 1 248.276 3.211 10 0 BGAEMO C[C@H]([NH2+]Cc1ccccn1)c1cc(F)ccc1F ZINC000019957779 385159698 /nfs/dbraw/zinc/15/96/98/385159698.db2.gz GLMZKTLEKHDUNQ-JTQLQIEISA-N 1 1 248.276 3.211 10 0 BGAEMO CN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000019958233 411044833 /nfs/dbraw/zinc/04/48/33/411044833.db2.gz IFEXYFAVPGOELI-UONOGXRCSA-N 1 1 240.435 3.133 10 0 BGAEMO CN(C)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019958237 411045666 /nfs/dbraw/zinc/04/56/66/411045666.db2.gz IFEXYFAVPGOELI-KBPBESRZSA-N 1 1 240.435 3.133 10 0 BGAEMO CN(C)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000019958240 411044597 /nfs/dbraw/zinc/04/45/97/411044597.db2.gz IFEXYFAVPGOELI-ZIAGYGMSSA-N 1 1 240.435 3.133 10 0 BGAEMO CN(C)CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000019958244 411045655 /nfs/dbraw/zinc/04/56/55/411045655.db2.gz IFEXYFAVPGOELI-KGLIPLIRSA-N 1 1 240.435 3.133 10 0 BGAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2cccc(C)c2)no1 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ZINC000020071604 177076905 /nfs/dbraw/zinc/07/69/05/177076905.db2.gz SKVHDKNGKSIDDN-JTQLQIEISA-N 1 1 238.762 3.297 10 0 BGAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(N)c2)C1 ZINC000020071944 176101467 /nfs/dbraw/zinc/10/14/67/176101467.db2.gz RSSVHLGXKXNBNY-SNVBAGLBSA-N 1 1 238.762 3.154 10 0 BGAEMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(N)c2)C1 ZINC000020071946 177101884 /nfs/dbraw/zinc/10/18/84/177101884.db2.gz RSSVHLGXKXNBNY-JTQLQIEISA-N 1 1 238.762 3.154 10 0 BGAEMO C[NH2+]CCN(C1CCCCC1)C1CCCCC1 ZINC000020072506 173354292 /nfs/dbraw/zinc/35/42/92/173354292.db2.gz OHZZKPLVLYZSGO-UHFFFAOYSA-N 1 1 238.419 3.173 10 0 BGAEMO Cc1ccc(C[N@@H+](C)Cc2ccccc2)cc1N ZINC000020072521 342968110 /nfs/dbraw/zinc/96/81/10/342968110.db2.gz MZIMYLUPIUCHEB-UHFFFAOYSA-N 1 1 240.350 3.209 10 0 BGAEMO CCCC[N@@H+](CC)Cc1ccc(C)c(N)c1 ZINC000020072983 168800189 /nfs/dbraw/zinc/80/01/89/168800189.db2.gz OQUKIGFVRNRYBZ-UHFFFAOYSA-N 1 1 220.360 3.199 10 0 BGAEMO CC[C@H](C)[C@@H](N)C[N@@H+](CC)C1CCCCC1 ZINC000020073365 171372180 /nfs/dbraw/zinc/37/21/80/171372180.db2.gz ZPASKNZCYBHIGD-JSGCOSHPSA-N 1 1 226.408 3.014 10 0 BGAEMO CC[C@H](C)[C@H](N)C[N@@H+](CC)C1CCCCC1 ZINC000020073371 171397060 /nfs/dbraw/zinc/39/70/60/171397060.db2.gz ZPASKNZCYBHIGD-GXTWGEPZSA-N 1 1 226.408 3.014 10 0 BGAEMO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000020073544 178006370 /nfs/dbraw/zinc/00/63/70/178006370.db2.gz BPMULXDHZXSSLY-TXEJJXNPSA-N 1 1 232.371 3.055 10 0 BGAEMO Cc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1N ZINC000020073919 178590735 /nfs/dbraw/zinc/59/07/35/178590735.db2.gz LJUVSYVCSNMFBG-BETUJISGSA-N 1 1 232.371 3.340 10 0 BGAEMO Cc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1N ZINC000020073962 178009328 /nfs/dbraw/zinc/00/93/28/178009328.db2.gz NMMDMBFYRCBAIM-BETUJISGSA-N 1 1 232.371 3.340 10 0 BGAEMO [NH2+]=C1c2ccccc2CN1c1cccc(F)c1 ZINC000020078740 181207698 /nfs/dbraw/zinc/20/76/98/181207698.db2.gz UCADDKYYVIAOOD-UHFFFAOYSA-N 1 1 226.254 3.171 10 0 BGAEMO C[C@@H]([NH2+]Cc1ccncc1)c1cc(F)ccc1F ZINC000020140142 385181582 /nfs/dbraw/zinc/18/15/82/385181582.db2.gz LVAYYMHTYJRQLZ-SNVBAGLBSA-N 1 1 248.276 3.211 10 0 BGAEMO C[C@H]([NH2+]Cc1ccncc1)c1cc(F)ccc1F ZINC000020140144 385180914 /nfs/dbraw/zinc/18/09/14/385180914.db2.gz LVAYYMHTYJRQLZ-JTQLQIEISA-N 1 1 248.276 3.211 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1CCCc1ccccc1N ZINC000020192175 176070777 /nfs/dbraw/zinc/07/07/77/176070777.db2.gz PWKMMMNERUTDEO-CYBMUJFWSA-N 1 1 232.371 3.076 10 0 BGAEMO C[C@H]1CCCC[N@H+]1CCCc1ccccc1N ZINC000020192179 177075210 /nfs/dbraw/zinc/07/52/10/177075210.db2.gz PWKMMMNERUTDEO-ZDUSSCGKSA-N 1 1 232.371 3.076 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1CCCc1cccc(N)c1 ZINC000020192280 176070975 /nfs/dbraw/zinc/07/09/75/176070975.db2.gz QKUHGJBJPYFDEG-CYBMUJFWSA-N 1 1 232.371 3.076 10 0 BGAEMO C[C@H]1CCCC[N@H+]1CCCc1cccc(N)c1 ZINC000020192284 177075655 /nfs/dbraw/zinc/07/56/55/177075655.db2.gz QKUHGJBJPYFDEG-ZDUSSCGKSA-N 1 1 232.371 3.076 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1Cc1cc(N)ccc1Cl ZINC000020192547 176072925 /nfs/dbraw/zinc/07/29/25/176072925.db2.gz KJPCFHOURUUSEO-SNVBAGLBSA-N 1 1 238.762 3.297 10 0 BGAEMO C[C@H]1CCCC[N@H+]1Cc1cc(N)ccc1Cl ZINC000020192553 177077915 /nfs/dbraw/zinc/07/79/15/177077915.db2.gz KJPCFHOURUUSEO-JTQLQIEISA-N 1 1 238.762 3.297 10 0 BGAEMO C[C@@H]1CCC[N@@H+](Cc2cc(N)ccc2Cl)C1 ZINC000020192556 176099855 /nfs/dbraw/zinc/09/98/55/176099855.db2.gz ONIUZNXFJSHEBL-SNVBAGLBSA-N 1 1 238.762 3.154 10 0 BGAEMO C[C@H]1CCC[N@@H+](Cc2cc(N)ccc2Cl)C1 ZINC000020192559 177099133 /nfs/dbraw/zinc/09/91/33/177099133.db2.gz ONIUZNXFJSHEBL-JTQLQIEISA-N 1 1 238.762 3.154 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N)cc1Cl ZINC000020192806 176072988 /nfs/dbraw/zinc/07/29/88/176072988.db2.gz SWIBVUMKHVSYTG-SNVBAGLBSA-N 1 1 238.762 3.297 10 0 BGAEMO C[C@H]1CCCC[N@H+]1Cc1ccc(N)cc1Cl ZINC000020192808 177077110 /nfs/dbraw/zinc/07/71/10/177077110.db2.gz SWIBVUMKHVSYTG-JTQLQIEISA-N 1 1 238.762 3.297 10 0 BGAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2Cl)C1 ZINC000020192810 176101290 /nfs/dbraw/zinc/10/12/90/176101290.db2.gz XJXDHQRKZXDZPM-SNVBAGLBSA-N 1 1 238.762 3.154 10 0 BGAEMO C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2Cl)C1 ZINC000020192811 177101327 /nfs/dbraw/zinc/10/13/27/177101327.db2.gz XJXDHQRKZXDZPM-JTQLQIEISA-N 1 1 238.762 3.154 10 0 BGAEMO CCCN(C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020226070 169086261 /nfs/dbraw/zinc/08/62/61/169086261.db2.gz RETQTCVTLIISJW-HNNXBMFYSA-N 1 1 234.387 3.152 10 0 BGAEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000020226070 169086259 /nfs/dbraw/zinc/08/62/59/169086259.db2.gz RETQTCVTLIISJW-HNNXBMFYSA-N 1 1 234.387 3.152 10 0 BGAEMO CCCN(C)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020226071 169086203 /nfs/dbraw/zinc/08/62/03/169086203.db2.gz RETQTCVTLIISJW-OAHLLOKOSA-N 1 1 234.387 3.152 10 0 BGAEMO CCC[N@@H+](C)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000020226071 169086202 /nfs/dbraw/zinc/08/62/02/169086202.db2.gz RETQTCVTLIISJW-OAHLLOKOSA-N 1 1 234.387 3.152 10 0 BGAEMO CCCN(C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226322 169086015 /nfs/dbraw/zinc/08/60/15/169086015.db2.gz FNMOBIDDDCPDBJ-HNNXBMFYSA-N 1 1 248.414 3.326 10 0 BGAEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226322 169086013 /nfs/dbraw/zinc/08/60/13/169086013.db2.gz FNMOBIDDDCPDBJ-HNNXBMFYSA-N 1 1 248.414 3.326 10 0 BGAEMO CCCN(C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226323 169085990 /nfs/dbraw/zinc/08/59/90/169085990.db2.gz FNMOBIDDDCPDBJ-OAHLLOKOSA-N 1 1 248.414 3.326 10 0 BGAEMO CCC[N@@H+](C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226323 169085989 /nfs/dbraw/zinc/08/59/89/169085989.db2.gz FNMOBIDDDCPDBJ-OAHLLOKOSA-N 1 1 248.414 3.326 10 0 BGAEMO Cc1cccc(CN(C)C2(C[NH3+])CCCCC2)c1 ZINC000020226846 179064593 /nfs/dbraw/zinc/06/45/93/179064593.db2.gz RBPWMVGODNUEQO-UHFFFAOYSA-N 1 1 246.398 3.088 10 0 BGAEMO Cc1cccc(C[N@H+](C)C2(CN)CCCCC2)c1 ZINC000020226846 179064590 /nfs/dbraw/zinc/06/45/90/179064590.db2.gz RBPWMVGODNUEQO-UHFFFAOYSA-N 1 1 246.398 3.088 10 0 BGAEMO Cc1cccc(C[N@@H+](C)C2(CN)CCCCC2)c1 ZINC000020226846 179064586 /nfs/dbraw/zinc/06/45/86/179064586.db2.gz RBPWMVGODNUEQO-UHFFFAOYSA-N 1 1 246.398 3.088 10 0 BGAEMO Cc1nc(C[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000020253249 342978892 /nfs/dbraw/zinc/97/88/92/342978892.db2.gz SCKFFUOSPNPCKJ-AWEZNQCLSA-N 1 1 244.363 3.229 10 0 BGAEMO Cc1nc(C[NH2+][C@H](C)c2cccs2)cs1 ZINC000020253365 342979180 /nfs/dbraw/zinc/97/91/80/342979180.db2.gz SRLPAFMTKXLNDD-MRVPVSSYSA-N 1 1 238.381 3.364 10 0 BGAEMO Cc1nc(C[NH2+][C@@H](C)c2cccs2)cs1 ZINC000020253366 347436209 /nfs/dbraw/zinc/43/62/09/347436209.db2.gz SRLPAFMTKXLNDD-QMMMGPOBSA-N 1 1 238.381 3.364 10 0 BGAEMO [NH2+]=C1c2ccccc2CN1c1ccc(F)cc1 ZINC000020255081 181208264 /nfs/dbraw/zinc/20/82/64/181208264.db2.gz WPVDVKKMNBHPOQ-UHFFFAOYSA-N 1 1 226.254 3.171 10 0 BGAEMO Cc1ccc([C@H](N)CC[NH+]2CCCCCC2)cc1 ZINC000020273922 178907151 /nfs/dbraw/zinc/90/71/51/178907151.db2.gz HAOVJKLPJXTRHO-MRXNPFEDSA-N 1 1 246.398 3.261 10 0 BGAEMO Nc1ccc[nH+]c1NC1CCCCCCC1 ZINC000020278635 188108412 /nfs/dbraw/zinc/10/84/12/188108412.db2.gz BQABDVRKYZUDGH-UHFFFAOYSA-N 1 1 219.332 3.189 10 0 BGAEMO CCn1ccc([C@@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000020349553 523493074 /nfs/dbraw/zinc/49/30/74/523493074.db2.gz WSDDEZQRRNBNDT-CYBMUJFWSA-N 1 1 243.354 3.062 10 0 BGAEMO CCn1ccc([C@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000020349554 523493127 /nfs/dbraw/zinc/49/31/27/523493127.db2.gz WSDDEZQRRNBNDT-ZDUSSCGKSA-N 1 1 243.354 3.062 10 0 BGAEMO CCCCCC[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000020520503 168667181 /nfs/dbraw/zinc/66/71/81/168667181.db2.gz FSAOPPNJUBAYIR-OAHLLOKOSA-N 1 1 240.435 3.277 10 0 BGAEMO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000021009554 171372550 /nfs/dbraw/zinc/37/25/50/171372550.db2.gz LUHJHTVWGSCUPC-JOYOIKCWSA-N 1 1 245.326 3.091 10 0 BGAEMO CC[C@H](C)[C@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000021009558 171398228 /nfs/dbraw/zinc/39/82/28/171398228.db2.gz LUHJHTVWGSCUPC-CABZTGNLSA-N 1 1 245.326 3.091 10 0 BGAEMO Cc1ccc(NCCc2ccccc2)[nH+]c1 ZINC000021798704 643323608 /nfs/dbraw/zinc/32/36/08/643323608.db2.gz KSOPVYSKGPRCDY-UHFFFAOYSA-N 1 1 212.296 3.045 10 0 BGAEMO C[C@@H]1C=C(c2ccccc2)[C@@H]2CCCC[N@@H+]12 ZINC000021990297 188008332 /nfs/dbraw/zinc/00/83/32/188008332.db2.gz IXWZNXWVNYQDOK-DOMZBBRYSA-N 1 1 213.324 3.327 10 0 BGAEMO C[C@H]1C=C(c2ccccc2)[C@@H]2CCCC[N@@H+]12 ZINC000021990300 188179716 /nfs/dbraw/zinc/17/97/16/188179716.db2.gz IXWZNXWVNYQDOK-WFASDCNBSA-N 1 1 213.324 3.327 10 0 BGAEMO CCCCc1[nH]c[nH+]c1Cc1ccccc1 ZINC000022000824 169027905 /nfs/dbraw/zinc/02/79/05/169027905.db2.gz PPXHSCDLAZGQKX-UHFFFAOYSA-N 1 1 214.312 3.343 10 0 BGAEMO CCCCc1[nH]cnc1Cc1ccccc1 ZINC000022000824 169027903 /nfs/dbraw/zinc/02/79/03/169027903.db2.gz PPXHSCDLAZGQKX-UHFFFAOYSA-N 1 1 214.312 3.343 10 0 BGAEMO COc1cccc2[nH]cc(CC[N@@H+](C)C(C)C)c21 ZINC000022001979 175297858 /nfs/dbraw/zinc/29/78/58/175297858.db2.gz BJIWLHLNPTWSGD-UHFFFAOYSA-N 1 1 246.354 3.059 10 0 BGAEMO FC(F)(F)c1ccc(C2=[NH+]CCC2)cc1 ZINC000022002971 383960798 /nfs/dbraw/zinc/96/07/98/383960798.db2.gz CQWLAMBVONGCJI-UHFFFAOYSA-N 1 1 213.202 3.288 10 0 BGAEMO Cc1cccc([C@H](CN)[N@H+](C)C2CCCCC2)c1 ZINC000022168185 179198421 /nfs/dbraw/zinc/19/84/21/179198421.db2.gz XPBQLQPIXDYISC-INIZCTEOSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@H+](C)C2CCCCC2)c1 ZINC000022168187 179184536 /nfs/dbraw/zinc/18/45/36/179184536.db2.gz XPBQLQPIXDYISC-MRXNPFEDSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccc([C@H](C[NH3+])N2CCC(C)CC2)c(C)c1 ZINC000022170954 178903422 /nfs/dbraw/zinc/90/34/22/178903422.db2.gz CHWIRIDDDMHCJO-INIZCTEOSA-N 1 1 246.398 3.035 10 0 BGAEMO Cc1ccccc1[C@H](C[NH3+])N(C)C1CCCCC1 ZINC000022172731 179341702 /nfs/dbraw/zinc/34/17/02/179341702.db2.gz QKCYVXHOXRBNMT-INIZCTEOSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@H+](C)C1CCCCC1 ZINC000022172731 179341700 /nfs/dbraw/zinc/34/17/00/179341700.db2.gz QKCYVXHOXRBNMT-INIZCTEOSA-N 1 1 246.398 3.259 10 0 BGAEMO CCN(CC)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000022222892 343140532 /nfs/dbraw/zinc/14/05/32/343140532.db2.gz LQXYDGUGCJOIDP-INIZCTEOSA-N 1 1 242.366 3.181 10 0 BGAEMO CCN(CC)[C@H](C[NH3+])c1cccc2ccccc21 ZINC000022222894 384995751 /nfs/dbraw/zinc/99/57/51/384995751.db2.gz LQXYDGUGCJOIDP-MRXNPFEDSA-N 1 1 242.366 3.181 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853713 179341689 /nfs/dbraw/zinc/34/16/89/179341689.db2.gz OBWCLYIRQLZQHR-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@@H](CN)[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853716 187763622 /nfs/dbraw/zinc/76/36/22/187763622.db2.gz OBWCLYIRQLZQHR-IJEWVQPXSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853748 179198860 /nfs/dbraw/zinc/19/88/60/179198860.db2.gz UUGMZUCRTHLIQU-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853751 179184867 /nfs/dbraw/zinc/18/48/67/179184867.db2.gz UUGMZUCRTHLIQU-IJEWVQPXSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccc([C@H](C[NH3+])N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022853764 342814330 /nfs/dbraw/zinc/81/43/30/342814330.db2.gz IYLHIUCEYQQFKM-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccc([C@H](CN)[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022853764 342814329 /nfs/dbraw/zinc/81/43/29/342814329.db2.gz IYLHIUCEYQQFKM-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000023066034 179343888 /nfs/dbraw/zinc/34/38/88/179343888.db2.gz GPHUWTMKEXUIGH-IJEWVQPXSA-N 1 1 246.398 3.258 10 0 BGAEMO CC(C)(C)c1ccc([C@@H]([NH3+])CN2CCCC2)cc1 ZINC000023067820 188283432 /nfs/dbraw/zinc/28/34/32/188283432.db2.gz YXIDUHZYBQHKDE-HNNXBMFYSA-N 1 1 246.398 3.080 10 0 BGAEMO CC(C)(C)c1ccc([C@H]([NH3+])CN2CCCC2)cc1 ZINC000023067822 188283234 /nfs/dbraw/zinc/28/32/34/188283234.db2.gz YXIDUHZYBQHKDE-OAHLLOKOSA-N 1 1 246.398 3.080 10 0 BGAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+](C)C(C)C ZINC000023068820 187255454 /nfs/dbraw/zinc/25/54/54/187255454.db2.gz YHEJQVBCPOIAFW-HUUCEWRRSA-N 1 1 234.387 3.051 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@H+](C)C1CCCCC1 ZINC000023069680 179343329 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ZINC000034988906 178373070 /nfs/dbraw/zinc/37/30/70/178373070.db2.gz LLWFZZRRWNXWJJ-LBPRGKRZSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000034988907 178373696 /nfs/dbraw/zinc/37/36/96/178373696.db2.gz LLWFZZRRWNXWJJ-GFCCVEGCSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000034988907 178373693 /nfs/dbraw/zinc/37/36/93/178373693.db2.gz LLWFZZRRWNXWJJ-GFCCVEGCSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000034988936 178373115 /nfs/dbraw/zinc/37/31/15/178373115.db2.gz BHFKGOQDEVJVHZ-ZDUSSCGKSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000034988936 178373114 /nfs/dbraw/zinc/37/31/14/178373114.db2.gz BHFKGOQDEVJVHZ-ZDUSSCGKSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000034988938 178373254 /nfs/dbraw/zinc/37/32/54/178373254.db2.gz BHFKGOQDEVJVHZ-CYBMUJFWSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C(=O)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000034988938 178373251 /nfs/dbraw/zinc/37/32/51/178373251.db2.gz BHFKGOQDEVJVHZ-CYBMUJFWSA-N 1 1 245.366 3.218 10 0 BGAEMO CCc1ccc(C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000034989721 171783131 /nfs/dbraw/zinc/78/31/31/171783131.db2.gz MJPSKNVRWQCEEM-UHFFFAOYSA-N 1 1 245.366 3.164 10 0 BGAEMO Cc1ccc(C(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000034989734 188285280 /nfs/dbraw/zinc/28/52/80/188285280.db2.gz GRUUKRIFQCKROB-UHFFFAOYSA-N 1 1 245.366 3.218 10 0 BGAEMO Cc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)o1 ZINC000034996447 356703193 /nfs/dbraw/zinc/70/31/93/356703193.db2.gz DHAYVPSSOPURLS-CQSZACIVSA-N 1 1 243.306 3.201 10 0 BGAEMO Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)o1 ZINC000034996448 356703579 /nfs/dbraw/zinc/70/35/79/356703579.db2.gz DHAYVPSSOPURLS-AWEZNQCLSA-N 1 1 243.306 3.201 10 0 BGAEMO CC(C)c1ccc(C(=O)C[NH+]2CCCCC2)cc1 ZINC000035020104 351384440 /nfs/dbraw/zinc/38/44/40/351384440.db2.gz PZXCPIDLLIUXIT-UHFFFAOYSA-N 1 1 245.366 3.479 10 0 BGAEMO Cc1ccc(C(=O)[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000035020130 178445048 /nfs/dbraw/zinc/44/50/48/178445048.db2.gz VEVSKUOCCGBPMP-CQSZACIVSA-N 1 1 245.366 3.361 10 0 BGAEMO C[C@@H](C(=O)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000035021756 177315289 /nfs/dbraw/zinc/31/52/89/177315289.db2.gz FVSDIZIFFLFTEW-MJBXVCDLSA-N 1 1 245.366 3.236 10 0 BGAEMO CC(C)c1ccc(C(=O)C[N@H+](C)C(C)C)cc1 ZINC000035022996 187257476 /nfs/dbraw/zinc/25/74/76/187257476.db2.gz LYXFRAVQXVOMCJ-UHFFFAOYSA-N 1 1 233.355 3.333 10 0 BGAEMO CC(C)c1ccc(C(=O)C[N@@H+](C)C(C)C)cc1 ZINC000035022996 187257475 /nfs/dbraw/zinc/25/74/75/187257475.db2.gz LYXFRAVQXVOMCJ-UHFFFAOYSA-N 1 1 233.355 3.333 10 0 BGAEMO CCOc1c(C)c(C)[nH+]c2ccccc21 ZINC000035029350 343283260 /nfs/dbraw/zinc/28/32/60/343283260.db2.gz WTNZXTFBFSRXRH-UHFFFAOYSA-N 1 1 201.269 3.250 10 0 BGAEMO C[C@@H](C(=O)c1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C ZINC000035036039 177079100 /nfs/dbraw/zinc/07/91/00/177079100.db2.gz GXSWMOAETOKLPT-RYUDHWBXSA-N 1 1 249.329 3.271 10 0 BGAEMO C[C@@H](C(=O)c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000035036039 177079099 /nfs/dbraw/zinc/07/90/99/177079099.db2.gz GXSWMOAETOKLPT-RYUDHWBXSA-N 1 1 249.329 3.271 10 0 BGAEMO C[C@@H]1CCCN(c2ccc(N)c3c[nH+]ccc32)C1 ZINC000035059577 132337341 /nfs/dbraw/zinc/33/73/41/132337341.db2.gz GFVGMKPVOHYDMB-LLVKDONJSA-N 1 1 241.338 3.053 10 0 BGAEMO C[C@H]1CCCN(c2ccc(N)c3c[nH+]ccc32)C1 ZINC000035059580 132337594 /nfs/dbraw/zinc/33/75/94/132337594.db2.gz GFVGMKPVOHYDMB-NSHDSACASA-N 1 1 241.338 3.053 10 0 BGAEMO CCCN(c1ccc(N)c2c[nH+]ccc21)C(C)C ZINC000035059632 169182902 /nfs/dbraw/zinc/18/29/02/169182902.db2.gz CHUFDGPEHVHRFR-UHFFFAOYSA-N 1 1 243.354 3.442 10 0 BGAEMO Cc1ccccc1C[N@H+](C)Cc1ccccc1N ZINC000035064059 179269249 /nfs/dbraw/zinc/26/92/49/179269249.db2.gz UIMJBBLTFXQMHM-UHFFFAOYSA-N 1 1 240.350 3.209 10 0 BGAEMO CC1CCC(CN)([N@@H+](C)C2CCCCC2)CC1 ZINC000035176658 168153612 /nfs/dbraw/zinc/15/36/12/168153612.db2.gz SLQFMLSAMANASB-UHFFFAOYSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)C1CCCCC1 ZINC000035176695 176083668 /nfs/dbraw/zinc/08/36/68/176083668.db2.gz ATXGGIFAJONNJQ-HIFRSBDPSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H]1CCCC[C@@]1(CN)[N@@H+](C)C1CCCCC1 ZINC000035176696 177085623 /nfs/dbraw/zinc/08/56/23/177085623.db2.gz ATXGGIFAJONNJQ-ZFWWWQNUSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H]1CCCC[C@]1(CN)[N@@H+](C)C1CCCCC1 ZINC000035176700 177090470 /nfs/dbraw/zinc/09/04/70/177090470.db2.gz ATXGGIFAJONNJQ-DZGCQCFKSA-N 1 1 238.419 3.159 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035219775 171055913 /nfs/dbraw/zinc/05/59/13/171055913.db2.gz QEPVSUBUYDNXHQ-VHDGCEQUSA-N 1 1 238.419 3.157 10 0 BGAEMO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)C2CCCCC2)C1 ZINC000035219777 171040888 /nfs/dbraw/zinc/04/08/88/171040888.db2.gz QEPVSUBUYDNXHQ-BPLDGKMQSA-N 1 1 238.419 3.157 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(F)ccc1N ZINC000035308433 177117884 /nfs/dbraw/zinc/11/78/84/177117884.db2.gz DBDCJTYCMJCMPA-PHIMTYICSA-N 1 1 236.334 3.171 10 0 BGAEMO CCCN(CC)c1ccc(N)c2c[nH+]ccc21 ZINC000035332907 169134464 /nfs/dbraw/zinc/13/44/64/169134464.db2.gz HQCYIDVIAMGORK-UHFFFAOYSA-N 1 1 229.327 3.053 10 0 BGAEMO CC[C@H](C)N(C)c1ccc(N)c2c[nH+]ccc21 ZINC000035332916 171309014 /nfs/dbraw/zinc/30/90/14/171309014.db2.gz AKBJTMQDZPEOCQ-JTQLQIEISA-N 1 1 229.327 3.052 10 0 BGAEMO CCCSc1ccc(N)c2c[nH+]ccc12 ZINC000035333340 169341305 /nfs/dbraw/zinc/34/13/05/169341305.db2.gz MBMOLXAIFUKLHM-UHFFFAOYSA-N 1 1 218.325 3.319 10 0 BGAEMO CCC[N@@H+](Cc1cccc(N)c1)C1CCCC1 ZINC000035364995 169175104 /nfs/dbraw/zinc/17/51/04/169175104.db2.gz RFDMKFTWLUCDJJ-UHFFFAOYSA-N 1 1 232.371 3.423 10 0 BGAEMO CCC[N@@H+](Cc1ccccc1N)C1CCCC1 ZINC000035365189 169177296 /nfs/dbraw/zinc/17/72/96/169177296.db2.gz IWEPGVVIFJNZAK-UHFFFAOYSA-N 1 1 232.371 3.423 10 0 BGAEMO CC(C)[N@@H+](Cc1ccccc1N)C1CCCC1 ZINC000035365775 188111796 /nfs/dbraw/zinc/11/17/96/188111796.db2.gz CGOVKCWVCIOGJD-UHFFFAOYSA-N 1 1 232.371 3.422 10 0 BGAEMO Cc1ccc([C@H]([NH3+])c2ccc(C)s2)o1 ZINC000035380391 357210700 /nfs/dbraw/zinc/21/07/00/357210700.db2.gz UYQOUNTVSURNHQ-NSHDSACASA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])c2ccc(C)s2)o1 ZINC000035380394 178860816 /nfs/dbraw/zinc/86/08/16/178860816.db2.gz UYQOUNTVSURNHQ-LLVKDONJSA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])c2occc2C)s1 ZINC000035380418 387653228 /nfs/dbraw/zinc/65/32/28/387653228.db2.gz CSEKEZKHMDCOLV-SNVBAGLBSA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1ccc([C@H]([NH3+])c2occc2C)s1 ZINC000035380420 357211184 /nfs/dbraw/zinc/21/11/84/357211184.db2.gz CSEKEZKHMDCOLV-JTQLQIEISA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1ccc([C@H]([NH3+])c2ccc(Cl)s2)o1 ZINC000035381230 357211423 /nfs/dbraw/zinc/21/14/23/357211423.db2.gz RRBZZCUGQPUVFS-JTQLQIEISA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)o1 ZINC000035381232 383856721 /nfs/dbraw/zinc/85/67/21/383856721.db2.gz RRBZZCUGQPUVFS-SNVBAGLBSA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1ccoc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000035381252 357211472 /nfs/dbraw/zinc/21/14/72/357211472.db2.gz UMCLXJPZWLMAKL-SECBINFHSA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1ccoc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000035381253 357211091 /nfs/dbraw/zinc/21/10/91/357211091.db2.gz UMCLXJPZWLMAKL-VIFPVBQESA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1cc([C@H]([NH3+])c2ccco2)c(C)s1 ZINC000035381392 178262451 /nfs/dbraw/zinc/26/24/51/178262451.db2.gz LWMLOKZXIFHPPZ-NSHDSACASA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1cc([C@@H]([NH3+])c2ccco2)c(C)s1 ZINC000035381393 178238130 /nfs/dbraw/zinc/23/81/30/178238130.db2.gz LWMLOKZXIFHPPZ-LLVKDONJSA-N 1 1 207.298 3.006 10 0 BGAEMO Cc1cc([C@@H]([NH3+])c2occc2C)c(C)s1 ZINC000035381407 178236813 /nfs/dbraw/zinc/23/68/13/178236813.db2.gz GAXGTWYRSNKAAD-LLVKDONJSA-N 1 1 221.325 3.314 10 0 BGAEMO Cc1cc([C@H]([NH3+])c2occc2C)c(C)s1 ZINC000035381408 178262160 /nfs/dbraw/zinc/26/21/60/178262160.db2.gz GAXGTWYRSNKAAD-NSHDSACASA-N 1 1 221.325 3.314 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc2ccc(C)cc2[nH]1 ZINC000035411266 169009440 /nfs/dbraw/zinc/00/94/40/169009440.db2.gz VIDNKTSZIUOEDS-JTQLQIEISA-N 1 1 217.316 3.061 10 0 BGAEMO Cc1ccc(-c2noc([C@H]([NH3+])C(C)(C)C)n2)cc1 ZINC000035411370 178344206 /nfs/dbraw/zinc/34/42/06/178344206.db2.gz PZXPEFBSSCZKAJ-NSHDSACASA-N 1 1 245.326 3.091 10 0 BGAEMO Cc1ccccc1-c1noc([C@H]([NH3+])C(C)(C)C)n1 ZINC000035411450 179240600 /nfs/dbraw/zinc/24/06/00/179240600.db2.gz JFAPIGWTUFSUDV-NSHDSACASA-N 1 1 245.326 3.091 10 0 BGAEMO Cc1ccccc1-c1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000035411451 179240924 /nfs/dbraw/zinc/24/09/24/179240924.db2.gz JFAPIGWTUFSUDV-LLVKDONJSA-N 1 1 245.326 3.091 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000035411452 169008982 /nfs/dbraw/zinc/00/89/82/169008982.db2.gz BEUIUFBWISHCQM-LBPRGKRZSA-N 1 1 245.326 3.235 10 0 BGAEMO CCCC[C@@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000035411453 357232162 /nfs/dbraw/zinc/23/21/62/357232162.db2.gz BEUIUFBWISHCQM-GFCCVEGCSA-N 1 1 245.326 3.235 10 0 BGAEMO Cc1cccc(-c2noc([C@H]([NH3+])C(C)(C)C)n2)c1 ZINC000035411454 179000097 /nfs/dbraw/zinc/00/00/97/179000097.db2.gz COMZKSHBVBCSRM-NSHDSACASA-N 1 1 245.326 3.091 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000035411456 169008906 /nfs/dbraw/zinc/00/89/06/169008906.db2.gz KLNUUKDBKPZDDS-LBPRGKRZSA-N 1 1 245.326 3.235 10 0 BGAEMO CCCC[C@@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000035411457 357231518 /nfs/dbraw/zinc/23/15/18/357231518.db2.gz KLNUUKDBKPZDDS-GFCCVEGCSA-N 1 1 245.326 3.235 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc2ccccc2o1 ZINC000035411534 169009298 /nfs/dbraw/zinc/00/92/98/169009298.db2.gz CIPYRBCRZUHEGC-VIFPVBQESA-N 1 1 204.273 3.018 10 0 BGAEMO C[NH2+][C@H](c1ccc(C)o1)c1cc(F)ccc1F ZINC000035468565 173456022 /nfs/dbraw/zinc/45/60/22/173456022.db2.gz AQYWUCZJHFSSOG-ZDUSSCGKSA-N 1 1 237.249 3.175 10 0 BGAEMO CC[NH2+][C@@H](c1ccco1)c1cc(F)ccc1F ZINC000035543386 170148321 /nfs/dbraw/zinc/14/83/21/170148321.db2.gz FXTPXWQDGCVPIL-CYBMUJFWSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@H](c1ccco1)c1cc(F)ccc1F ZINC000035543388 170165328 /nfs/dbraw/zinc/16/53/28/170165328.db2.gz FXTPXWQDGCVPIL-ZDUSSCGKSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@@H](c1ccoc1)c1cc(F)ccc1F ZINC000035543390 170149161 /nfs/dbraw/zinc/14/91/61/170149161.db2.gz MEYDIMDZEPGABW-ZDUSSCGKSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@H](c1ccoc1)c1cc(F)ccc1F ZINC000035543392 170164675 /nfs/dbraw/zinc/16/46/75/170164675.db2.gz MEYDIMDZEPGABW-CYBMUJFWSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@H](c1ccco1)c1ccc(F)cc1F ZINC000035547243 170164699 /nfs/dbraw/zinc/16/46/99/170164699.db2.gz YAXLXGXGAHLQNI-ZDUSSCGKSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@@H](c1ccco1)c1ccc(F)cc1F ZINC000035547245 170148338 /nfs/dbraw/zinc/14/83/38/170148338.db2.gz YAXLXGXGAHLQNI-CYBMUJFWSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@@H](c1ccoc1)c1ccc(F)cc1F ZINC000035547247 170149494 /nfs/dbraw/zinc/14/94/94/170149494.db2.gz LMWOORYCIXWFSV-ZDUSSCGKSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@H](c1ccoc1)c1ccc(F)cc1F ZINC000035547249 170165252 /nfs/dbraw/zinc/16/52/52/170165252.db2.gz LMWOORYCIXWFSV-CYBMUJFWSA-N 1 1 237.249 3.257 10 0 BGAEMO CC[NH2+][C@@H](c1ccco1)c1cc(F)ccc1OC ZINC000035554262 170148200 /nfs/dbraw/zinc/14/82/00/170148200.db2.gz NSBBMZSHTOAEKH-CQSZACIVSA-N 1 1 249.285 3.126 10 0 BGAEMO CC[NH2+][C@H](c1ccco1)c1cc(F)ccc1OC ZINC000035554266 170165088 /nfs/dbraw/zinc/16/50/88/170165088.db2.gz NSBBMZSHTOAEKH-AWEZNQCLSA-N 1 1 249.285 3.126 10 0 BGAEMO CC[NH2+][C@@H](c1ccoc1)c1cc(F)ccc1OC ZINC000035554269 170150026 /nfs/dbraw/zinc/15/00/26/170150026.db2.gz YEUCUTTUMGFPLE-AWEZNQCLSA-N 1 1 249.285 3.126 10 0 BGAEMO CC[NH2+][C@H](c1ccoc1)c1cc(F)ccc1OC ZINC000035554273 170164768 /nfs/dbraw/zinc/16/47/68/170164768.db2.gz YEUCUTTUMGFPLE-CQSZACIVSA-N 1 1 249.285 3.126 10 0 BGAEMO Cc1ccc(C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC000035651181 178510281 /nfs/dbraw/zinc/51/02/81/178510281.db2.gz FYMRNKWWQOEFAH-CYBMUJFWSA-N 1 1 234.387 3.369 10 0 BGAEMO C[N@@H+](CCCn1cccc1)Cc1ccccc1 ZINC000035651182 343301209 /nfs/dbraw/zinc/30/12/09/343301209.db2.gz LXGMKNIHWMFBEU-UHFFFAOYSA-N 1 1 228.339 3.010 10 0 BGAEMO CN(C)c1cc[nH+]c(-c2ccc(F)cc2F)c1 ZINC000035653841 343301310 /nfs/dbraw/zinc/30/13/10/343301310.db2.gz AVNIDFVWIHMKSA-UHFFFAOYSA-N 1 1 234.249 3.093 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000035660323 169008655 /nfs/dbraw/zinc/00/86/55/169008655.db2.gz MGEDUPLIKUQGJL-NSHDSACASA-N 1 1 249.289 3.066 10 0 BGAEMO CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000035660324 358017606 /nfs/dbraw/zinc/01/76/06/358017606.db2.gz MGEDUPLIKUQGJL-LLVKDONJSA-N 1 1 249.289 3.066 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000035660472 169008797 /nfs/dbraw/zinc/00/87/97/169008797.db2.gz HKYBAUPYXXXELM-NSHDSACASA-N 1 1 249.289 3.066 10 0 BGAEMO CCCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000035660473 358017717 /nfs/dbraw/zinc/01/77/17/358017717.db2.gz HKYBAUPYXXXELM-LLVKDONJSA-N 1 1 249.289 3.066 10 0 BGAEMO C[C@@H](c1cccs1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000035737298 176034541 /nfs/dbraw/zinc/03/45/41/176034541.db2.gz RRQAHEJDDJDBHD-JTQLQIEISA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@H](c1cccs1)[N@H+]1Cc2ccc(N)cc2C1 ZINC000035737299 177050070 /nfs/dbraw/zinc/05/00/70/177050070.db2.gz RRQAHEJDDJDBHD-SNVBAGLBSA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@@H](c1cccs1)[N@H+]1Cc2cccc(N)c2C1 ZINC000035737300 176034259 /nfs/dbraw/zinc/03/42/59/176034259.db2.gz PMNSYFSILNPDRF-JTQLQIEISA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@H](c1cccs1)[N@H+]1Cc2cccc(N)c2C1 ZINC000035737301 177050152 /nfs/dbraw/zinc/05/01/52/177050152.db2.gz PMNSYFSILNPDRF-SNVBAGLBSA-N 1 1 244.363 3.407 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](CC)C2CCCC2)C1 ZINC000035765949 171055883 /nfs/dbraw/zinc/05/58/83/171055883.db2.gz FRWACBZKKPEEPD-VHDGCEQUSA-N 1 1 238.419 3.157 10 0 BGAEMO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](CC)C2CCCC2)C1 ZINC000035765953 171041102 /nfs/dbraw/zinc/04/11/02/171041102.db2.gz FRWACBZKKPEEPD-BPLDGKMQSA-N 1 1 238.419 3.157 10 0 BGAEMO CC[N@@H+](Cc1ccc2c(c1)CCN2)C1CCCC1 ZINC000035766486 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BGAEMO Cc1cccc(Nc2ccc(N)c(C)[nH+]2)c1C ZINC000036251561 179159579 /nfs/dbraw/zinc/15/95/79/179159579.db2.gz BOSKCZVEWSHCLB-UHFFFAOYSA-N 1 1 227.311 3.333 10 0 BGAEMO Cc1cccc(C)c1Nc1ccc(N)c(C)[nH+]1 ZINC000036251644 179044855 /nfs/dbraw/zinc/04/48/55/179044855.db2.gz XDIPVGINQWSZPU-UHFFFAOYSA-N 1 1 227.311 3.333 10 0 BGAEMO Cc1cccc(Nc2ccc(N)c(C)[nH+]2)c1 ZINC000036251660 179159600 /nfs/dbraw/zinc/15/96/00/179159600.db2.gz WBJLOJYDAICQCZ-UHFFFAOYSA-N 1 1 213.284 3.024 10 0 BGAEMO Cc1ccccc1Nc1ccc(N)c(C)[nH+]1 ZINC000036251664 179308067 /nfs/dbraw/zinc/30/80/67/179308067.db2.gz BHXQNAVDIQWTEV-UHFFFAOYSA-N 1 1 213.284 3.024 10 0 BGAEMO COc1ccc(C)cc1Nc1ccc(N)c(C)[nH+]1 ZINC000036251742 175079267 /nfs/dbraw/zinc/07/92/67/175079267.db2.gz LMMXLZJHHVZERL-UHFFFAOYSA-N 1 1 243.310 3.033 10 0 BGAEMO Cc1[nH+]c(Nc2ccc(Cl)cc2)ccc1N ZINC000036251743 187259107 /nfs/dbraw/zinc/25/91/07/187259107.db2.gz JPUSZPANAWUYDL-UHFFFAOYSA-N 1 1 233.702 3.369 10 0 BGAEMO Cc1[nH+]c2c(C)cc(Br)cn2c1C ZINC000036259707 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C[C@H]1CCCC[C@@H]1[N@H+]1Cc2cccc(N)c2C1 ZINC000036683585 177082199 /nfs/dbraw/zinc/08/21/99/177082199.db2.gz DNCJIDYRNJICRH-NHYWBVRUSA-N 1 1 230.355 3.163 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@H+]1Cc2cccc(N)c2C1 ZINC000036683586 176086542 /nfs/dbraw/zinc/08/65/42/176086542.db2.gz DNCJIDYRNJICRH-IAQYHMDHSA-N 1 1 230.355 3.163 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@H+]1Cc2cccc(N)c2C1 ZINC000036683587 177087077 /nfs/dbraw/zinc/08/70/77/177087077.db2.gz DNCJIDYRNJICRH-XHDPSFHLSA-N 1 1 230.355 3.163 10 0 BGAEMO COc1ccc(N)cc1C[N@@H+](C)C1CCCCC1 ZINC000036722229 187259373 /nfs/dbraw/zinc/25/93/73/187259373.db2.gz YABTVPSJPVJPPK-UHFFFAOYSA-N 1 1 248.370 3.042 10 0 BGAEMO CC[NH2+][C@H](c1ccco1)c1ccc(OC)cc1F ZINC000036767043 170164711 /nfs/dbraw/zinc/16/47/11/170164711.db2.gz JGFXZIKXHWYQHV-AWEZNQCLSA-N 1 1 249.285 3.126 10 0 BGAEMO CC[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1F ZINC000036767044 170148401 /nfs/dbraw/zinc/14/84/01/170148401.db2.gz JGFXZIKXHWYQHV-CQSZACIVSA-N 1 1 249.285 3.126 10 0 BGAEMO CC(C)[C@@H](C)[N@@H+](C)C1(CN)CCCCCCC1 ZINC000036786979 167366462 /nfs/dbraw/zinc/36/64/62/167366462.db2.gz NJKYDXQTXALMLY-CQSZACIVSA-N 1 1 240.435 3.405 10 0 BGAEMO CC(C)[C@H](C)[N@@H+](C)C1(CN)CCCCCCC1 ZINC000036786980 187259390 /nfs/dbraw/zinc/25/93/90/187259390.db2.gz NJKYDXQTXALMLY-AWEZNQCLSA-N 1 1 240.435 3.405 10 0 BGAEMO CC(C)[C@@H](C)N(C)c1ccc(N)c2c[nH+]ccc21 ZINC000036787049 167371262 /nfs/dbraw/zinc/37/12/62/167371262.db2.gz WRTFPSBMLNBWGA-LLVKDONJSA-N 1 1 243.354 3.298 10 0 BGAEMO Cc1ccc([C@@H](N)C[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000036787154 178857605 /nfs/dbraw/zinc/85/76/05/178857605.db2.gz NEXQKJILDGMDAR-HOCLYGCPSA-N 1 1 248.414 3.280 10 0 BGAEMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036787583 167368930 /nfs/dbraw/zinc/36/89/30/167368930.db2.gz HJYGYRJAFJSOPU-GFCCVEGCSA-N 1 1 232.371 3.131 10 0 BGAEMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036787584 188286651 /nfs/dbraw/zinc/28/66/51/188286651.db2.gz HJYGYRJAFJSOPU-LBPRGKRZSA-N 1 1 232.371 3.131 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](CN)c1ccc(C)cc1C ZINC000036788674 168369206 /nfs/dbraw/zinc/36/92/06/168369206.db2.gz FYLFWKGFFFKMIU-INIZCTEOSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](CN)c1ccc(C)cc1C ZINC000036788675 168368664 /nfs/dbraw/zinc/36/86/64/168368664.db2.gz FYLFWKGFFFKMIU-MRXNPFEDSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C1(CN)CCC(CC)CC1 ZINC000036788828 168515088 /nfs/dbraw/zinc/51/50/88/168515088.db2.gz KOZVFHJRBHPHTD-UHFFFAOYSA-N 1 1 240.435 3.405 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](CN)c1ccccc1C ZINC000036788845 168369185 /nfs/dbraw/zinc/36/91/85/168369185.db2.gz MNAKJNSJSBAHGW-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](CN)c1ccccc1C ZINC000036788846 168369041 /nfs/dbraw/zinc/36/90/41/168369041.db2.gz MNAKJNSJSBAHGW-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](CN)c1ccc(C)cc1 ZINC000036788847 168369403 /nfs/dbraw/zinc/36/94/03/168369403.db2.gz BFNHLGWBZQANFJ-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](CN)c1ccc(C)cc1 ZINC000036788848 168368841 /nfs/dbraw/zinc/36/88/41/168368841.db2.gz BFNHLGWBZQANFJ-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](CN)c1cccc(C)c1 ZINC000036788849 168368906 /nfs/dbraw/zinc/36/89/06/168368906.db2.gz AEBHUSZQXNBCGE-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](CN)c1cccc(C)c1 ZINC000036788850 168368443 /nfs/dbraw/zinc/36/84/43/168368443.db2.gz AEBHUSZQXNBCGE-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)N(C)c1ccc(N)c2c[nH+]ccc21 ZINC000036788877 168369045 /nfs/dbraw/zinc/36/90/45/168369045.db2.gz KXGRBLCCDBRTPQ-UHFFFAOYSA-N 1 1 243.354 3.442 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000036788936 168368902 /nfs/dbraw/zinc/36/89/02/168368902.db2.gz NOEHXVAFYDJGDV-CVEARBPZSA-N 1 1 246.398 3.122 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H]1CCc2ccccc2[C@@H]1N ZINC000036788937 168369322 /nfs/dbraw/zinc/36/93/22/168369322.db2.gz NOEHXVAFYDJGDV-HOTGVXAUSA-N 1 1 246.398 3.122 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000036788946 168369438 /nfs/dbraw/zinc/36/94/38/168369438.db2.gz XJEVTPFZQFTGSS-INIZCTEOSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@@H](N)c1ccc(C)c(C)c1 ZINC000036788947 168369036 /nfs/dbraw/zinc/36/90/36/168369036.db2.gz XJEVTPFZQFTGSS-MRXNPFEDSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@H](N)c1ccccc1C ZINC000036788956 168368670 /nfs/dbraw/zinc/36/86/70/168368670.db2.gz AZPSAVVLBKJRDJ-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@@H](N)c1ccccc1C ZINC000036788957 168369488 /nfs/dbraw/zinc/36/94/88/168369488.db2.gz AZPSAVVLBKJRDJ-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@H](N)c1ccc(C)cc1 ZINC000036788988 168369306 /nfs/dbraw/zinc/36/93/06/168369306.db2.gz ZDKFTRYTYKAVLZ-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@@H](N)c1ccc(C)cc1 ZINC000036788989 168369653 /nfs/dbraw/zinc/36/96/53/168369653.db2.gz ZDKFTRYTYKAVLZ-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](C)[C@H](N)c1ccccc1 ZINC000036788992 168368928 /nfs/dbraw/zinc/36/89/28/168368928.db2.gz BWMTZVPMOWSCDT-WFASDCNBSA-N 1 1 234.387 3.195 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](C)[C@H](N)c1ccccc1 ZINC000036788993 168368497 /nfs/dbraw/zinc/36/84/97/168368497.db2.gz BWMTZVPMOWSCDT-DOMZBBRYSA-N 1 1 234.387 3.195 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000036789000 168369623 /nfs/dbraw/zinc/36/96/23/168369623.db2.gz YLNUNUGNLNLWAE-INIZCTEOSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@@H](N)c1cc(C)ccc1C ZINC000036789001 168369760 /nfs/dbraw/zinc/36/97/60/168369760.db2.gz YLNUNUGNLNLWAE-MRXNPFEDSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036789032 168369693 /nfs/dbraw/zinc/36/96/93/168369693.db2.gz RUKDLKKRFAPXES-INIZCTEOSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)C[C@@H](N)c1ccc(C)cc1C ZINC000036789033 168369544 /nfs/dbraw/zinc/36/95/44/168369544.db2.gz RUKDLKKRFAPXES-MRXNPFEDSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC(CC)[N@@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036789312 168368538 /nfs/dbraw/zinc/36/85/38/168368538.db2.gz DQISVABUUROYPU-UHFFFAOYSA-N 1 1 232.371 3.275 10 0 BGAEMO CCC[C@@H](C)N(C)c1ccc(N)c2c[nH+]ccc21 ZINC000036790094 169366648 /nfs/dbraw/zinc/36/66/48/169366648.db2.gz DWTLFUYMQFOOHL-LLVKDONJSA-N 1 1 243.354 3.442 10 0 BGAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000036790184 169366823 /nfs/dbraw/zinc/36/68/23/169366823.db2.gz DSGXTNLAXANFFZ-CJNGLKHVSA-N 1 1 248.414 3.369 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(CC)cc1 ZINC000036790184 169366822 /nfs/dbraw/zinc/36/68/22/169366822.db2.gz DSGXTNLAXANFFZ-CJNGLKHVSA-N 1 1 248.414 3.369 10 0 BGAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000036790188 169366329 /nfs/dbraw/zinc/36/63/29/169366329.db2.gz MEOPMFGQWQKVNL-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(C)cc1C ZINC000036790188 169366327 /nfs/dbraw/zinc/36/63/27/169366327.db2.gz MEOPMFGQWQKVNL-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C1(CN)CCC(CC)CC1 ZINC000036790348 169364377 /nfs/dbraw/zinc/36/43/77/169364377.db2.gz RGCOBVAJDGECCB-WLYUNCDWSA-N 1 1 240.435 3.405 10 0 BGAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccccc1C ZINC000036790368 169366078 /nfs/dbraw/zinc/36/60/78/169366078.db2.gz HVHYQZLEWMPODY-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccccc1C ZINC000036790368 169366077 /nfs/dbraw/zinc/36/60/77/169366077.db2.gz HVHYQZLEWMPODY-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000036790370 169366432 /nfs/dbraw/zinc/36/64/32/169366432.db2.gz GYBFXRDECVQXHA-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(C)cc1 ZINC000036790370 169366431 /nfs/dbraw/zinc/36/64/31/169366431.db2.gz GYBFXRDECVQXHA-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000036790372 169366056 /nfs/dbraw/zinc/36/60/56/169366056.db2.gz CXZGWKPCNGHNRI-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H](CN)c1cccc(C)c1 ZINC000036790372 169366055 /nfs/dbraw/zinc/36/60/55/169366055.db2.gz CXZGWKPCNGHNRI-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1ccc(CC)cc1 ZINC000036790418 169365227 /nfs/dbraw/zinc/36/52/27/169365227.db2.gz ZGUJREPCLYLYMD-CJNGLKHVSA-N 1 1 248.414 3.369 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1ccc(CC)cc1 ZINC000036790418 169365226 /nfs/dbraw/zinc/36/52/26/169365226.db2.gz ZGUJREPCLYLYMD-CJNGLKHVSA-N 1 1 248.414 3.369 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000036790420 169366497 /nfs/dbraw/zinc/36/64/97/169366497.db2.gz JGXXOCVVDUPOCN-WQVCFCJDSA-N 1 1 246.398 3.122 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000036790428 169364537 /nfs/dbraw/zinc/36/45/37/169364537.db2.gz BPPFDZZEJIGPRT-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000036790428 169364535 /nfs/dbraw/zinc/36/45/35/169364535.db2.gz BPPFDZZEJIGPRT-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1ccccc1C ZINC000036790436 169365777 /nfs/dbraw/zinc/36/57/77/169365777.db2.gz DKUCDDSJZNIPAT-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1ccccc1C ZINC000036790436 169365776 /nfs/dbraw/zinc/36/57/76/169365776.db2.gz DKUCDDSJZNIPAT-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000036790468 169365448 /nfs/dbraw/zinc/36/54/48/169365448.db2.gz GKAQPBOWEBCFNY-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1ccc(C)cc1 ZINC000036790468 169365447 /nfs/dbraw/zinc/36/54/47/169365447.db2.gz GKAQPBOWEBCFNY-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1cc(C)ccc1C ZINC000036790480 169365129 /nfs/dbraw/zinc/36/51/29/169365129.db2.gz UTUHKHMBWDXBNI-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000036790480 169365128 /nfs/dbraw/zinc/36/51/28/169365128.db2.gz UTUHKHMBWDXBNI-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000036790512 169365119 /nfs/dbraw/zinc/36/51/19/169365119.db2.gz VKSLWQIFGUIFGH-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036790512 169365117 /nfs/dbraw/zinc/36/51/17/169365117.db2.gz VKSLWQIFGUIFGH-ZBFHGGJFSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@H](C)N(C)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000036790513 169487676 /nfs/dbraw/zinc/48/76/76/169487676.db2.gz VKSLWQIFGUIFGH-HOCLYGCPSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@H](C)[N@@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036790513 169487674 /nfs/dbraw/zinc/48/76/74/169487674.db2.gz VKSLWQIFGUIFGH-HOCLYGCPSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036790997 169364645 /nfs/dbraw/zinc/36/46/45/169364645.db2.gz FTYGFKQNCQOVPD-GFCCVEGCSA-N 1 1 232.371 3.275 10 0 BGAEMO CCC[C@@H]([NH3+])c1nc2ccc(Cl)cc2[nH]1 ZINC000036830730 169393382 /nfs/dbraw/zinc/39/33/82/169393382.db2.gz SOUUBARZRSWDPT-MRVPVSSYSA-N 1 1 223.707 3.016 10 0 BGAEMO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2o1 ZINC000036830985 169393885 /nfs/dbraw/zinc/39/38/85/169393885.db2.gz MSGCAKSCQUXVEG-MRVPVSSYSA-N 1 1 224.691 3.281 10 0 BGAEMO CC[C@H](C)C[C@](CC)(CN)[N@H+]1CCC[C@H](C)C1 ZINC000036849304 171299464 /nfs/dbraw/zinc/29/94/64/171299464.db2.gz BTAFPCYAJAKMNO-SOUVJXGZSA-N 1 1 240.435 3.262 10 0 BGAEMO Cc1nc([C@@H](C)[NH3+])[nH]c1-c1cccc(Cl)c1 ZINC000036872240 180032663 /nfs/dbraw/zinc/03/26/63/180032663.db2.gz WGYQAUHMAHUVOR-SSDOTTSWSA-N 1 1 235.718 3.058 10 0 BGAEMO Cc1nc([C@H](C)[NH3+])[nH]c1-c1cccc(Cl)c1 ZINC000036872241 180046663 /nfs/dbraw/zinc/04/66/63/180046663.db2.gz WGYQAUHMAHUVOR-ZETCQYMHSA-N 1 1 235.718 3.058 10 0 BGAEMO C[C@@H]([C@H](N)c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036874704 177315108 /nfs/dbraw/zinc/31/51/08/177315108.db2.gz NGMUAMXIEOJVDW-FQLMCAECSA-N 1 1 246.398 3.053 10 0 BGAEMO Cc1ccccc1[C@@H](N)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000036874804 179325161 /nfs/dbraw/zinc/32/51/61/179325161.db2.gz GPHUWTMKEXUIGH-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCC[N@@H+](C)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000036998769 168782481 /nfs/dbraw/zinc/78/24/81/168782481.db2.gz BFRZKFIKUSGOKS-CVEARBPZSA-N 1 1 248.414 3.443 10 0 BGAEMO CCCC[N@@H+](C)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000036998770 168784958 /nfs/dbraw/zinc/78/49/58/168784958.db2.gz BFRZKFIKUSGOKS-HZPDHXFCSA-N 1 1 248.414 3.443 10 0 BGAEMO CCOc1ccc(N)cc1C[N@@H+](C)C1CCCC1 ZINC000037083787 170549208 /nfs/dbraw/zinc/54/92/08/170549208.db2.gz HZNHKGVDNSCJMQ-UHFFFAOYSA-N 1 1 248.370 3.042 10 0 BGAEMO CCCN(CC)[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000037094649 169132303 /nfs/dbraw/zinc/13/23/03/169132303.db2.gz QEYSBGOTGAZDRA-HNNXBMFYSA-N 1 1 234.387 3.035 10 0 BGAEMO CCCN(CC)[C@H](C[NH3+])c1ccc(C)cc1C ZINC000037094650 169131575 /nfs/dbraw/zinc/13/15/75/169131575.db2.gz QEYSBGOTGAZDRA-OAHLLOKOSA-N 1 1 234.387 3.035 10 0 BGAEMO CCC[N@@H+](CC)[C@](C)(CN)CCc1ccccc1 ZINC000037094799 169132713 /nfs/dbraw/zinc/13/27/13/169132713.db2.gz NSBSHLZNDSPWCE-INIZCTEOSA-N 1 1 248.414 3.069 10 0 BGAEMO CCC[N@@H+](CC)[C@@](C)(CN)CCc1ccccc1 ZINC000037094800 169132725 /nfs/dbraw/zinc/13/27/25/169132725.db2.gz NSBSHLZNDSPWCE-MRXNPFEDSA-N 1 1 248.414 3.069 10 0 BGAEMO CCC[N@@H+](CC)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000037094888 169131144 /nfs/dbraw/zinc/13/11/44/169131144.db2.gz BNGUBZSFECEVQN-CVEARBPZSA-N 1 1 246.398 3.123 10 0 BGAEMO CCC[N@@H+](CC)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000037094889 169131931 /nfs/dbraw/zinc/13/19/31/169131931.db2.gz BNGUBZSFECEVQN-HOTGVXAUSA-N 1 1 246.398 3.123 10 0 BGAEMO CCC[N@@H+](CC)C[C@H](N)c1cc2ccccc2o1 ZINC000037094920 169128796 /nfs/dbraw/zinc/12/87/96/169128796.db2.gz TYQVBFMLLVUXCS-ZDUSSCGKSA-N 1 1 246.354 3.165 10 0 BGAEMO CCC[N@@H+](CC)C[C@@H](N)c1cc2ccccc2o1 ZINC000037094921 169125431 /nfs/dbraw/zinc/12/54/31/169125431.db2.gz TYQVBFMLLVUXCS-CYBMUJFWSA-N 1 1 246.354 3.165 10 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CCCN(CC)C[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000037094961 169124917 /nfs/dbraw/zinc/12/49/17/169124917.db2.gz CZNAEESXPUYHJV-OAHLLOKOSA-N 1 1 248.414 3.344 10 0 BGAEMO CCC[N@@H+](CC)C[C@@H](N)c1c(C)cc(C)cc1C ZINC000037094961 169124914 /nfs/dbraw/zinc/12/49/14/169124914.db2.gz CZNAEESXPUYHJV-OAHLLOKOSA-N 1 1 248.414 3.344 10 0 BGAEMO CCC[N@@H+](CC)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000037094970 169132827 /nfs/dbraw/zinc/13/28/27/169132827.db2.gz JXXXXADKZPAIPC-CVEARBPZSA-N 1 1 248.414 3.443 10 0 BGAEMO CCC[N@@H+](CC)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000037094971 169132590 /nfs/dbraw/zinc/13/25/90/169132590.db2.gz JXXXXADKZPAIPC-HZPDHXFCSA-N 1 1 248.414 3.443 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H](CN)c1ccccc1C ZINC000037095797 169048863 /nfs/dbraw/zinc/04/88/63/169048863.db2.gz FWBVLMJAEUYJSU-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@H](CN)c1ccccc1C ZINC000037095798 169049066 /nfs/dbraw/zinc/04/90/66/169049066.db2.gz FWBVLMJAEUYJSU-OAHLLOKOSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C[C@H](N)c1ccc(C)cc1)C(C)C ZINC000037095999 169172706 /nfs/dbraw/zinc/17/27/06/169172706.db2.gz WWQYKIPASSQZIN-HNNXBMFYSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C[C@H](N)c1ccc(C)c(C)c1)C(C)C ZINC000037096036 169173834 /nfs/dbraw/zinc/17/38/34/169173834.db2.gz WESHIINKIBQORR-INIZCTEOSA-N 1 1 248.414 3.424 10 0 BGAEMO CCC[N@@H+](Cc1ccc2c(c1)CCN2)C(C)C ZINC000037096327 169175492 /nfs/dbraw/zinc/17/54/92/169175492.db2.gz RQYLXOOSUKFULE-UHFFFAOYSA-N 1 1 232.371 3.275 10 0 BGAEMO CCC[N@@H+](C1CC1)C1(CN)CCCCCCC1 ZINC000037097016 169089433 /nfs/dbraw/zinc/08/94/33/169089433.db2.gz RJFAAYKKEOVDEP-UHFFFAOYSA-N 1 1 238.419 3.303 10 0 BGAEMO CCCN(C[C@H]([NH3+])c1ccc(CC)cc1)C1CC1 ZINC000037097176 169173671 /nfs/dbraw/zinc/17/36/71/169173671.db2.gz QDKQQWYFMLABEN-INIZCTEOSA-N 1 1 246.398 3.123 10 0 BGAEMO CCC[N@@H+](C[C@H](N)c1ccc(CC)cc1)C1CC1 ZINC000037097176 169173669 /nfs/dbraw/zinc/17/36/69/169173669.db2.gz QDKQQWYFMLABEN-INIZCTEOSA-N 1 1 246.398 3.123 10 0 BGAEMO CCCN(C[C@H]([NH3+])c1cc(C)ccc1C)C1CC1 ZINC000037097218 169173121 /nfs/dbraw/zinc/17/31/21/169173121.db2.gz AGQSDMHTOSEJAC-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+](C[C@H](N)c1cc(C)ccc1C)C1CC1 ZINC000037097218 169173120 /nfs/dbraw/zinc/17/31/20/169173120.db2.gz AGQSDMHTOSEJAC-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCCN(C[C@H]([NH3+])c1ccc(C)cc1C)C1CC1 ZINC000037097222 169172791 /nfs/dbraw/zinc/17/27/91/169172791.db2.gz KJWJTJFMYSJDEB-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+](C[C@H](N)c1ccc(C)cc1C)C1CC1 ZINC000037097222 169172790 /nfs/dbraw/zinc/17/27/90/169172790.db2.gz KJWJTJFMYSJDEB-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCCN(C[C@@H]([NH3+])c1ccc(C)cc1C)C1CC1 ZINC000037097223 188113078 /nfs/dbraw/zinc/11/30/78/188113078.db2.gz KJWJTJFMYSJDEB-MRXNPFEDSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+](C[C@@H](N)c1ccc(C)cc1C)C1CC1 ZINC000037097223 188113077 /nfs/dbraw/zinc/11/30/77/188113077.db2.gz KJWJTJFMYSJDEB-MRXNPFEDSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+](Cc1ccc2c(c1)CCCN2)C1CC1 ZINC000037097453 169175269 /nfs/dbraw/zinc/17/52/69/169175269.db2.gz UIOAKNNALLICND-UHFFFAOYSA-N 1 1 244.382 3.419 10 0 BGAEMO CCCN(C)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000037098152 169086901 /nfs/dbraw/zinc/08/69/01/169086901.db2.gz GVDLQVMUFKGHOE-INIZCTEOSA-N 1 1 242.366 3.181 10 0 BGAEMO CCC[N@@H+](C)[C@@H](CN)c1cccc2ccccc21 ZINC000037098152 169086899 /nfs/dbraw/zinc/08/68/99/169086899.db2.gz GVDLQVMUFKGHOE-INIZCTEOSA-N 1 1 242.366 3.181 10 0 BGAEMO CCCN(C)[C@H](C[NH3+])c1cccc2ccccc21 ZINC000037098153 169089049 /nfs/dbraw/zinc/08/90/49/169089049.db2.gz GVDLQVMUFKGHOE-MRXNPFEDSA-N 1 1 242.366 3.181 10 0 BGAEMO CCC[N@@H+](C)[C@H](CN)c1cccc2ccccc21 ZINC000037098153 169089047 /nfs/dbraw/zinc/08/90/47/169089047.db2.gz GVDLQVMUFKGHOE-MRXNPFEDSA-N 1 1 242.366 3.181 10 0 BGAEMO CCCN(C)C[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000037098323 169078668 /nfs/dbraw/zinc/07/86/68/169078668.db2.gz RMPGBWUSIJTTOE-INIZCTEOSA-N 1 1 248.414 3.227 10 0 BGAEMO CCC[N@@H+](C)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000037098323 169078666 /nfs/dbraw/zinc/07/86/66/169078666.db2.gz RMPGBWUSIJTTOE-INIZCTEOSA-N 1 1 248.414 3.227 10 0 BGAEMO CCCN(C)C[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000037098324 169078463 /nfs/dbraw/zinc/07/84/63/169078463.db2.gz RMPGBWUSIJTTOE-MRXNPFEDSA-N 1 1 248.414 3.227 10 0 BGAEMO CCC[N@@H+](C)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000037098324 169078459 /nfs/dbraw/zinc/07/84/59/169078459.db2.gz RMPGBWUSIJTTOE-MRXNPFEDSA-N 1 1 248.414 3.227 10 0 BGAEMO CCCN(C)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000037098365 169077249 /nfs/dbraw/zinc/07/72/49/169077249.db2.gz HGVOGMASQMSDQG-INIZCTEOSA-N 1 1 242.366 3.181 10 0 BGAEMO CCC[N@@H+](C)C[C@H](N)c1ccc2ccccc2c1 ZINC000037098365 169077247 /nfs/dbraw/zinc/07/72/47/169077247.db2.gz HGVOGMASQMSDQG-INIZCTEOSA-N 1 1 242.366 3.181 10 0 BGAEMO CCCN(C)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000037098366 169079406 /nfs/dbraw/zinc/07/94/06/169079406.db2.gz HGVOGMASQMSDQG-MRXNPFEDSA-N 1 1 242.366 3.181 10 0 BGAEMO CCC[N@@H+](C)C[C@@H](N)c1ccc2ccccc2c1 ZINC000037098366 169079404 /nfs/dbraw/zinc/07/94/04/169079404.db2.gz HGVOGMASQMSDQG-MRXNPFEDSA-N 1 1 242.366 3.181 10 0 BGAEMO CC[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)CC(C)C ZINC000037108391 170950858 /nfs/dbraw/zinc/95/08/58/170950858.db2.gz NBBVRVQBUACCMW-LSDHHAIUSA-N 1 1 234.387 3.053 10 0 BGAEMO CC[C@H](C)N(C)C[C@H]([NH3+])c1cc(C)ccc1C ZINC000037110041 171308310 /nfs/dbraw/zinc/30/83/10/171308310.db2.gz OWOQUGHYLHQWJA-ZFWWWQNUSA-N 1 1 234.387 3.034 10 0 BGAEMO CC[C@H](C)[N@@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000037110041 171308309 /nfs/dbraw/zinc/30/83/09/171308309.db2.gz OWOQUGHYLHQWJA-ZFWWWQNUSA-N 1 1 234.387 3.034 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CN)c1ccc(C)cc1 ZINC000037112600 171311888 /nfs/dbraw/zinc/31/18/88/171311888.db2.gz KCJXWBTXIKKTCX-ZFWWWQNUSA-N 1 1 234.387 3.115 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@H](N)c1ccccc1 ZINC000037112910 171311933 /nfs/dbraw/zinc/31/19/33/171311933.db2.gz MAOYAWAAHYVJPI-YDHLFZDLSA-N 1 1 234.387 3.195 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)C[C@H](N)c1cc(C)ccc1C ZINC000037112988 171312227 /nfs/dbraw/zinc/31/22/27/171312227.db2.gz QHGIJBOYEHJTCY-HOCLYGCPSA-N 1 1 248.414 3.424 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)C[C@H](N)c1ccc(C)cc1C ZINC000037112992 171312158 /nfs/dbraw/zinc/31/21/58/171312158.db2.gz NWUQDCAVIACNTE-HOCLYGCPSA-N 1 1 248.414 3.424 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)CC[C@H](N)c1ccccc1 ZINC000037113396 171312018 /nfs/dbraw/zinc/31/20/18/171312018.db2.gz CMQLSOQYLMWQBO-ZFWWWQNUSA-N 1 1 234.387 3.197 10 0 BGAEMO C[C@@H]1C[C@H](C)C[N@H+](CC[C@H](N)c2ccccc2)C1 ZINC000037115996 177313657 /nfs/dbraw/zinc/31/36/57/177313657.db2.gz GBNMWQFQAYYVOF-LZWOXQAQSA-N 1 1 246.398 3.054 10 0 BGAEMO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H](N)c2ccccc2)C1 ZINC000037115996 177313656 /nfs/dbraw/zinc/31/36/56/177313656.db2.gz GBNMWQFQAYYVOF-LZWOXQAQSA-N 1 1 246.398 3.054 10 0 BGAEMO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H](N)c2ccccc2)C1 ZINC000037115998 176361423 /nfs/dbraw/zinc/36/14/23/176361423.db2.gz GBNMWQFQAYYVOF-FMKPAKJESA-N 1 1 246.398 3.054 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@H](N)c1ccccc1 ZINC000037116008 177116798 /nfs/dbraw/zinc/11/67/98/177116798.db2.gz MEVPIADOSBCKJL-LZWOXQAQSA-N 1 1 246.398 3.339 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H](N)c1ccccc1 ZINC000037116008 177116795 /nfs/dbraw/zinc/11/67/95/177116795.db2.gz MEVPIADOSBCKJL-LZWOXQAQSA-N 1 1 246.398 3.339 10 0 BGAEMO C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H](N)c1ccccc1 ZINC000037116010 176115220 /nfs/dbraw/zinc/11/52/20/176115220.db2.gz MEVPIADOSBCKJL-FMKPAKJESA-N 1 1 246.398 3.339 10 0 BGAEMO CC[C@H](C)CN(C)C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037172907 171272935 /nfs/dbraw/zinc/27/29/35/171272935.db2.gz PLYGQWPXQZIAJU-LRDDRELGSA-N 1 1 248.414 3.281 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000037172907 171272934 /nfs/dbraw/zinc/27/29/34/171272934.db2.gz PLYGQWPXQZIAJU-LRDDRELGSA-N 1 1 248.414 3.281 10 0 BGAEMO CC[C@H](C)CN(C)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000037172947 171273344 /nfs/dbraw/zinc/27/33/44/171273344.db2.gz ZQFHPNVXMBSAHK-LRDDRELGSA-N 1 1 248.414 3.281 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000037172947 171273342 /nfs/dbraw/zinc/27/33/42/171273342.db2.gz ZQFHPNVXMBSAHK-LRDDRELGSA-N 1 1 248.414 3.281 10 0 BGAEMO CCc1ccccc1N[C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037210205 171889463 /nfs/dbraw/zinc/88/94/63/171889463.db2.gz DUWAERIMXLYIIC-HIFRSBDPSA-N 1 1 246.398 3.391 10 0 BGAEMO CCc1cccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000037210290 171863156 /nfs/dbraw/zinc/86/31/56/171863156.db2.gz ATHNQNJOLABVFG-DZGCQCFKSA-N 1 1 246.398 3.391 10 0 BGAEMO Cc1ccc(N[C@H](C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000037210403 178776136 /nfs/dbraw/zinc/77/61/36/178776136.db2.gz JHUJIPZYDMIHHX-KGLIPLIRSA-N 1 1 232.371 3.137 10 0 BGAEMO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000037260579 180326242 /nfs/dbraw/zinc/32/62/42/180326242.db2.gz VOMGKSODCQNGFS-WCBMZHEXSA-N 1 1 236.340 3.456 10 0 BGAEMO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)c1ccco1 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ZINC000037394538 171343685 /nfs/dbraw/zinc/34/36/85/171343685.db2.gz FGAMIBMZBSWXMP-QMMMGPOBSA-N 1 1 237.734 3.104 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1ccc(F)cc1 ZINC000037415215 169364216 /nfs/dbraw/zinc/36/42/16/169364216.db2.gz WCMWKYZGELDTRG-LLVKDONJSA-N 1 1 237.318 3.129 10 0 BGAEMO CCC[C@@H](C)[N@H+](C)CC(=O)c1ccc(F)cc1 ZINC000037415215 169364214 /nfs/dbraw/zinc/36/42/14/169364214.db2.gz WCMWKYZGELDTRG-LLVKDONJSA-N 1 1 237.318 3.129 10 0 BGAEMO CC(C)[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000037498305 167387566 /nfs/dbraw/zinc/38/75/66/167387566.db2.gz SUSNBPSEIXZGHC-SECBINFHSA-N 1 1 203.289 3.019 10 0 BGAEMO CC(C)[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000037498306 188280364 /nfs/dbraw/zinc/28/03/64/188280364.db2.gz SUSNBPSEIXZGHC-VIFPVBQESA-N 1 1 203.289 3.019 10 0 BGAEMO Cc1cc(NC2CCC(C)CC2)nc(C)[nH+]1 ZINC000037498438 178155184 /nfs/dbraw/zinc/15/51/84/178155184.db2.gz FKJSLJSMZFCKAE-UHFFFAOYSA-N 1 1 219.332 3.084 10 0 BGAEMO Cc1cc(N[C@@H](C)c2cccs2)nc(C)[nH+]1 ZINC000037498451 178180416 /nfs/dbraw/zinc/18/04/16/178180416.db2.gz LVMDDHMQHYVIHZ-VIFPVBQESA-N 1 1 233.340 3.328 10 0 BGAEMO Cc1cc(N[C@H](C)c2cccs2)nc(C)[nH+]1 ZINC000037498452 178187079 /nfs/dbraw/zinc/18/70/79/178187079.db2.gz LVMDDHMQHYVIHZ-SECBINFHSA-N 1 1 233.340 3.328 10 0 BGAEMO CC[N@@H+](C)Cc1cncc(-c2ccc(F)cc2)c1 ZINC000037553990 364178867 /nfs/dbraw/zinc/17/88/67/364178867.db2.gz MBEYOFUEUPWXGJ-UHFFFAOYSA-N 1 1 244.313 3.339 10 0 BGAEMO C[N@@H+](CCNc1ccccc1)Cc1ccccc1 ZINC000037635412 343350357 /nfs/dbraw/zinc/35/03/57/343350357.db2.gz WESGUJQJHJQPBE-UHFFFAOYSA-N 1 1 240.350 3.231 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccccc1 ZINC000037635431 177116726 /nfs/dbraw/zinc/11/67/26/177116726.db2.gz ZNZRQGMHLPSWIA-OKILXGFUSA-N 1 1 232.371 3.361 10 0 BGAEMO Cc1ccc(C)c(C(=O)C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000037652214 187260180 /nfs/dbraw/zinc/26/01/80/187260180.db2.gz HKPHDGCKPDKGOJ-AWEZNQCLSA-N 1 1 247.382 3.462 10 0 BGAEMO CCC(CC)[N@@H+](C)CC(=O)c1ccc(F)cc1 ZINC000037652233 168367795 /nfs/dbraw/zinc/36/77/95/168367795.db2.gz SZESPYHDKQCXKH-UHFFFAOYSA-N 1 1 237.318 3.129 10 0 BGAEMO Cc1ccccc1C[N@H+](C)[C@@H]1CCCCCC1=O ZINC000037661177 179270816 /nfs/dbraw/zinc/27/08/16/179270816.db2.gz VLHWDAWCLSETIU-OAHLLOKOSA-N 1 1 245.366 3.329 10 0 BGAEMO Cc1ccccc1C[N@H+](C)[C@H]1CCCCCC1=O ZINC000037661178 179269956 /nfs/dbraw/zinc/26/99/56/179269956.db2.gz VLHWDAWCLSETIU-HNNXBMFYSA-N 1 1 245.366 3.329 10 0 BGAEMO Cc1cccc(N[C@@H](C)c2ccco2)[nH+]1 ZINC000037670710 179153374 /nfs/dbraw/zinc/15/33/74/179153374.db2.gz HRVKMMIQOJOGEP-JTQLQIEISA-N 1 1 202.257 3.156 10 0 BGAEMO Cc1cccc(N[C@H](C)c2ccco2)[nH+]1 ZINC000037670712 179155767 /nfs/dbraw/zinc/15/57/67/179155767.db2.gz HRVKMMIQOJOGEP-SNVBAGLBSA-N 1 1 202.257 3.156 10 0 BGAEMO CC(C)Sc1ccc(N)c2c[nH+]ccc12 ZINC000037684993 167336903 /nfs/dbraw/zinc/33/69/03/167336903.db2.gz OIIHZJCUKHYGSY-UHFFFAOYSA-N 1 1 218.325 3.318 10 0 BGAEMO CCC[NH2+]C1CCN(CCC2CCCC2)CC1 ZINC000037741407 169255735 /nfs/dbraw/zinc/25/57/35/169255735.db2.gz CFLSMYXQWTZEJG-UHFFFAOYSA-N 1 1 238.419 3.031 10 0 BGAEMO CC[NH2+]C1CCN(CCC2CCCCC2)CC1 ZINC000037741966 170108153 /nfs/dbraw/zinc/10/81/53/170108153.db2.gz MHDCFYOSQYJWHB-UHFFFAOYSA-N 1 1 238.419 3.031 10 0 BGAEMO CCCC1CCC(CN)([N@@H+](CC)C2CC2)CC1 ZINC000037742954 168604372 /nfs/dbraw/zinc/60/43/72/168604372.db2.gz TUIDPOALSSHXBB-UHFFFAOYSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1ccco1 ZINC000037756961 344578585 /nfs/dbraw/zinc/57/85/85/344578585.db2.gz DIMRWUSERFCSHZ-VIFPVBQESA-N 1 1 227.267 3.329 10 0 BGAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1ccco1 ZINC000037756962 344578784 /nfs/dbraw/zinc/57/87/84/344578784.db2.gz DIMRWUSERFCSHZ-SECBINFHSA-N 1 1 227.267 3.329 10 0 BGAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CNc3ccccc3C2)C1 ZINC000037761055 177314220 /nfs/dbraw/zinc/31/42/20/177314220.db2.gz TXSSOVGYXUTALV-VNHYZAJKSA-N 1 1 244.382 3.001 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@H]1CNc2ccccc2C1 ZINC000037761102 169049663 /nfs/dbraw/zinc/04/96/63/169049663.db2.gz VQIZZILTWUTKHU-CQSZACIVSA-N 1 1 232.371 3.144 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H]1CNc2ccccc2C1 ZINC000037761103 169049274 /nfs/dbraw/zinc/04/92/74/169049274.db2.gz VQIZZILTWUTKHU-AWEZNQCLSA-N 1 1 232.371 3.144 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@H]1CNc2ccccc2C1 ZINC000037761113 171311688 /nfs/dbraw/zinc/31/16/88/171311688.db2.gz BCDMNQACMJNKJE-GXTWGEPZSA-N 1 1 232.371 3.144 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761117 171274306 /nfs/dbraw/zinc/27/43/06/171274306.db2.gz LELZVFGSHGFUFW-GXTWGEPZSA-N 1 1 232.371 3.001 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761136 168369639 /nfs/dbraw/zinc/36/96/39/168369639.db2.gz SACCDQJEIPDPBK-CQSZACIVSA-N 1 1 232.371 3.144 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761137 168369823 /nfs/dbraw/zinc/36/98/23/168369823.db2.gz SACCDQJEIPDPBK-AWEZNQCLSA-N 1 1 232.371 3.144 10 0 BGAEMO CCC[C@@H](C)[N@@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761138 169366191 /nfs/dbraw/zinc/36/61/91/169366191.db2.gz 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3.178 10 0 BGAEMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908055 178230746 /nfs/dbraw/zinc/23/07/46/178230746.db2.gz CKRYUBNQLBOQDQ-ZJUUUORDSA-N 1 1 249.383 3.500 10 0 BGAEMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908056 178253357 /nfs/dbraw/zinc/25/33/57/178253357.db2.gz CKRYUBNQLBOQDQ-UWVGGRQHSA-N 1 1 249.383 3.500 10 0 BGAEMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908057 178232689 /nfs/dbraw/zinc/23/26/89/178232689.db2.gz CKRYUBNQLBOQDQ-NXEZZACHSA-N 1 1 249.383 3.500 10 0 BGAEMO Cc1cc([C@H](C)[NH2+][C@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908058 178257801 /nfs/dbraw/zinc/25/78/01/178257801.db2.gz CKRYUBNQLBOQDQ-VHSXEESVSA-N 1 1 249.383 3.500 10 0 BGAEMO C[C@@H]1CCC[N@H+]1[C@]1(CN)C[C@H](C)CC(C)(C)C1 ZINC000037910501 176052544 /nfs/dbraw/zinc/05/25/44/176052544.db2.gz LMTZEQIMQIWEPV-UMVBOHGHSA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@@H]1CCC[N@H+]1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000037910597 176110104 /nfs/dbraw/zinc/11/01/04/176110104.db2.gz PMWNRNSOIULGJC-YIYPIFLZSA-N 1 1 238.419 3.013 10 0 BGAEMO CCc1ccc([C@@H](N)[C@H](C)[N@H+]2CCC[C@@H]2C)cc1 ZINC000037910696 171834805 /nfs/dbraw/zinc/83/48/05/171834805.db2.gz SOVJEBHLYKODGT-XEZPLFJOSA-N 1 1 246.398 3.122 10 0 BGAEMO C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC000037911202 176110637 /nfs/dbraw/zinc/11/06/37/176110637.db2.gz UPMPAQPIGFAKST-GFCCVEGCSA-N 1 1 230.355 3.029 10 0 BGAEMO C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC000037911203 177110505 /nfs/dbraw/zinc/11/05/05/177110505.db2.gz UPMPAQPIGFAKST-LBPRGKRZSA-N 1 1 230.355 3.029 10 0 BGAEMO C[C@@H]1CCC[N@H+]1CC(=O)c1cc2ccccc2o1 ZINC000037911484 176108387 /nfs/dbraw/zinc/10/83/87/176108387.db2.gz PRGPTRCGFFBNLM-LLVKDONJSA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@@H]1CCC[N@@H+]1CC(=O)c1cc2ccccc2o1 ZINC000037911484 176108384 /nfs/dbraw/zinc/10/83/84/176108384.db2.gz PRGPTRCGFFBNLM-LLVKDONJSA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@H]1CCC[N@H+]1CC(=O)c1cc2ccccc2o1 ZINC000037911485 177109119 /nfs/dbraw/zinc/10/91/19/177109119.db2.gz PRGPTRCGFFBNLM-NSHDSACASA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@H]1CCC[N@@H+]1CC(=O)c1cc2ccccc2o1 ZINC000037911485 177109116 /nfs/dbraw/zinc/10/91/16/177109116.db2.gz PRGPTRCGFFBNLM-NSHDSACASA-N 1 1 243.306 3.100 10 0 BGAEMO CSc1ccc(C(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000037911563 187261241 /nfs/dbraw/zinc/26/12/41/187261241.db2.gz OTYGBUHMVZPDCX-NSHDSACASA-N 1 1 249.379 3.076 10 0 BGAEMO CSc1ccc(C(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000037911563 187261239 /nfs/dbraw/zinc/26/12/39/187261239.db2.gz OTYGBUHMVZPDCX-NSHDSACASA-N 1 1 249.379 3.076 10 0 BGAEMO CCc1ccc(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2C)cc1 ZINC000037911570 171788279 /nfs/dbraw/zinc/78/82/79/171788279.db2.gz VIBLAPPRRHMNDE-QWHCGFSZSA-N 1 1 245.366 3.305 10 0 BGAEMO CC[C@H](C(=O)c1ccccc1)[N@H+]1CCC[C@@H]1C ZINC000037911693 171241827 /nfs/dbraw/zinc/24/18/27/171241827.db2.gz DOMMQFQIQGRCMI-GXTWGEPZSA-N 1 1 231.339 3.132 10 0 BGAEMO C[C@@H]1CCC[N@H+]1CC(=O)c1coc2ccccc12 ZINC000037911704 176109125 /nfs/dbraw/zinc/10/91/25/176109125.db2.gz LKFTWNSWZXSYOU-LLVKDONJSA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@@H]1CCC[N@@H+]1CC(=O)c1coc2ccccc12 ZINC000037911704 176109123 /nfs/dbraw/zinc/10/91/23/176109123.db2.gz LKFTWNSWZXSYOU-LLVKDONJSA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@H]1CCC[N@H+]1CC(=O)c1coc2ccccc12 ZINC000037911705 177108805 /nfs/dbraw/zinc/10/88/05/177108805.db2.gz LKFTWNSWZXSYOU-NSHDSACASA-N 1 1 243.306 3.100 10 0 BGAEMO C[C@H]1CCC[N@@H+]1CC(=O)c1coc2ccccc12 ZINC000037911705 177108804 /nfs/dbraw/zinc/10/88/04/177108804.db2.gz LKFTWNSWZXSYOU-NSHDSACASA-N 1 1 243.306 3.100 10 0 BGAEMO CC[C@@H]1CCCN1c1ccc(N)c2c[nH+]ccc21 ZINC000037912979 170984184 /nfs/dbraw/zinc/98/41/84/170984184.db2.gz DCVMDJWBACLCSS-LLVKDONJSA-N 1 1 241.338 3.196 10 0 BGAEMO CC[C@H]1CCC[N@H+]1C[C@H](N)c1cc(C)ccc1C ZINC000037913661 171620386 /nfs/dbraw/zinc/62/03/86/171620386.db2.gz XJWQCROEIDIEFZ-HOCLYGCPSA-N 1 1 246.398 3.178 10 0 BGAEMO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+](C)CC1CC1 ZINC000037925483 188289653 /nfs/dbraw/zinc/28/96/53/188289653.db2.gz AZTDCKPFVATORD-HZPDHXFCSA-N 1 1 246.398 3.053 10 0 BGAEMO CCOC(=[NH2+])c1ccc2cc(OC)ccc2c1 ZINC000037928119 170180390 /nfs/dbraw/zinc/18/03/90/170180390.db2.gz DHVKRKPGZOWBPS-UHFFFAOYSA-N 1 1 229.279 3.210 10 0 BGAEMO CCOC(=O)[C@](C)(CC)[NH2+]C1CCCCCC1 ZINC000037972684 170284328 /nfs/dbraw/zinc/28/43/28/170284328.db2.gz UFRONASASXWGEB-AWEZNQCLSA-N 1 1 241.375 3.031 10 0 BGAEMO CCOC(=O)[C@@](C)(CC)[NH2+]C1CCCCCC1 ZINC000037972685 170260377 /nfs/dbraw/zinc/26/03/77/170260377.db2.gz UFRONASASXWGEB-CQSZACIVSA-N 1 1 241.375 3.031 10 0 BGAEMO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]c(C)n2)o1 ZINC000037981595 178187086 /nfs/dbraw/zinc/18/70/86/178187086.db2.gz RCRFTKHSQPYBRK-SNVBAGLBSA-N 1 1 231.299 3.168 10 0 BGAEMO Cc1ccc([C@H](C)Nc2cc(C)[nH+]c(C)n2)o1 ZINC000037981596 178178220 /nfs/dbraw/zinc/17/82/20/178178220.db2.gz RCRFTKHSQPYBRK-JTQLQIEISA-N 1 1 231.299 3.168 10 0 BGAEMO CC[C@H](C)[C@@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032443 171361421 /nfs/dbraw/zinc/36/14/21/171361421.db2.gz BPZPHQNOHBZENR-NWDGAFQWSA-N 1 1 232.371 3.062 10 0 BGAEMO CC[C@H](C)[C@H](C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032445 171385843 /nfs/dbraw/zinc/38/58/43/171385843.db2.gz BPZPHQNOHBZENR-RYUDHWBXSA-N 1 1 232.371 3.062 10 0 BGAEMO CC[C@@H](C(C)C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032447 170673763 /nfs/dbraw/zinc/67/37/63/170673763.db2.gz POKFZZIJRGVZFF-HNNXBMFYSA-N 1 1 232.371 3.062 10 0 BGAEMO CC[C@H](C(C)C)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032448 171243626 /nfs/dbraw/zinc/24/36/26/171243626.db2.gz POKFZZIJRGVZFF-OAHLLOKOSA-N 1 1 232.371 3.062 10 0 BGAEMO CC1CCC([N@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032586 168160640 /nfs/dbraw/zinc/16/06/40/168160640.db2.gz VKYZXQLEBCPQKH-UHFFFAOYSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032598 176078515 /nfs/dbraw/zinc/07/85/15/176078515.db2.gz UTYYVOVFCBDBRK-WBMJQRKESA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032599 177081932 /nfs/dbraw/zinc/08/19/32/177081932.db2.gz UTYYVOVFCBDBRK-LRDDRELGSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032600 176087027 /nfs/dbraw/zinc/08/70/27/176087027.db2.gz UTYYVOVFCBDBRK-MLGOLLRUSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@H+]1CCc2c(N)cccc2C1 ZINC000038032601 177086896 /nfs/dbraw/zinc/08/68/96/177086896.db2.gz UTYYVOVFCBDBRK-BLLLJJGKSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@@H]1CCC[C@H]([N@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032606 176141536 /nfs/dbraw/zinc/14/15/36/176141536.db2.gz GTHNTYAWRGGROA-OCCSQVGLSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@H]1CCC[C@H]([N@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032607 177135405 /nfs/dbraw/zinc/13/54/05/177135405.db2.gz GTHNTYAWRGGROA-JSGCOSHPSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@@H]1CCC[C@@H]([N@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032608 176120728 /nfs/dbraw/zinc/12/07/28/176120728.db2.gz GTHNTYAWRGGROA-TZMCWYRMSA-N 1 1 244.382 3.206 10 0 BGAEMO C[C@H]1CCC[C@@H]([N@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032609 177121674 /nfs/dbraw/zinc/12/16/74/177121674.db2.gz GTHNTYAWRGGROA-GXTWGEPZSA-N 1 1 244.382 3.206 10 0 BGAEMO CCC(CC)C[N@H+]1CCc2c(N)cccc2C1 ZINC000038032628 168351669 /nfs/dbraw/zinc/35/16/69/168351669.db2.gz GCZGGJKNDIDWKD-UHFFFAOYSA-N 1 1 232.371 3.063 10 0 BGAEMO Cc1cccc2oc([C@H]([NH3+])C(C)(C)C)nc21 ZINC000038052680 179233530 /nfs/dbraw/zinc/23/35/30/179233530.db2.gz KZBWCHAFYQSNPP-NSHDSACASA-N 1 1 218.300 3.182 10 0 BGAEMO Cc1cccc2oc([C@@H]([NH3+])C(C)(C)C)nc21 ZINC000038052681 179233480 /nfs/dbraw/zinc/23/34/80/179233480.db2.gz KZBWCHAFYQSNPP-LLVKDONJSA-N 1 1 218.300 3.182 10 0 BGAEMO Cc1cccc2oc([C@H]([NH3+])CC(C)C)nc21 ZINC000038052804 179232992 /nfs/dbraw/zinc/23/29/92/179232992.db2.gz HCQRENGTLZWXNR-SNVBAGLBSA-N 1 1 218.300 3.182 10 0 BGAEMO Cc1cccc2oc([C@@H]([NH3+])CC(C)C)nc21 ZINC000038052805 179232766 /nfs/dbraw/zinc/23/27/66/179232766.db2.gz HCQRENGTLZWXNR-JTQLQIEISA-N 1 1 218.300 3.182 10 0 BGAEMO CC[C@H](C)[NH2+]C1(C(=O)OC)CCCCCCC1 ZINC000038067125 171339262 /nfs/dbraw/zinc/33/92/62/171339262.db2.gz UFDLUWYPRLOHNR-LBPRGKRZSA-N 1 1 241.375 3.031 10 0 BGAEMO CC[C@@H](C)C[C@](CC)([NH2+][C@@H](C)CC)C(=O)OC ZINC000038067158 171347165 /nfs/dbraw/zinc/34/71/65/171347165.db2.gz FEXNIOXLFWTABJ-DYEKYZERSA-N 1 1 243.391 3.133 10 0 BGAEMO CC[C@H](C)C[C@](CC)([NH2+][C@@H](C)CC)C(=O)OC ZINC000038067159 171298804 /nfs/dbraw/zinc/29/88/04/171298804.db2.gz FEXNIOXLFWTABJ-OBJOEFQTSA-N 1 1 243.391 3.133 10 0 BGAEMO CC[C@@H](C)C[C@@](CC)([NH2+][C@@H](C)CC)C(=O)OC ZINC000038067160 171348812 /nfs/dbraw/zinc/34/88/12/171348812.db2.gz FEXNIOXLFWTABJ-MBNYWOFBSA-N 1 1 243.391 3.133 10 0 BGAEMO CC[C@H](C)C[C@@](CC)([NH2+][C@@H](C)CC)C(=O)OC ZINC000038067161 171296138 /nfs/dbraw/zinc/29/61/38/171296138.db2.gz FEXNIOXLFWTABJ-SGMGOOAPSA-N 1 1 243.391 3.133 10 0 BGAEMO CCOC(=O)C1([NH2+][C@H](C)CC)CCCCCC1 ZINC000038067478 170190753 /nfs/dbraw/zinc/19/07/53/170190753.db2.gz QEAPOSMHXBFVSC-GFCCVEGCSA-N 1 1 241.375 3.031 10 0 BGAEMO CCOC(=O)C1([NH2+][C@@H](C)CC)CCCCCC1 ZINC000038067479 170190454 /nfs/dbraw/zinc/19/04/54/170190454.db2.gz QEAPOSMHXBFVSC-LBPRGKRZSA-N 1 1 241.375 3.031 10 0 BGAEMO CCOC(=O)[C@](C)(CCC(C)C)[NH2+][C@H](C)CC ZINC000038067486 170284029 /nfs/dbraw/zinc/28/40/29/170284029.db2.gz NYIDRQSWJGZQKG-OCCSQVGLSA-N 1 1 243.391 3.133 10 0 BGAEMO CCOC(=O)[C@](C)(CCC(C)C)[NH2+][C@@H](C)CC ZINC000038067487 170283797 /nfs/dbraw/zinc/28/37/97/170283797.db2.gz NYIDRQSWJGZQKG-JSGCOSHPSA-N 1 1 243.391 3.133 10 0 BGAEMO CCOC(=O)[C@@](C)(CCC(C)C)[NH2+][C@H](C)CC ZINC000038067488 170260170 /nfs/dbraw/zinc/26/01/70/170260170.db2.gz NYIDRQSWJGZQKG-TZMCWYRMSA-N 1 1 243.391 3.133 10 0 BGAEMO CCOC(=O)[C@@](C)(CCC(C)C)[NH2+][C@@H](C)CC ZINC000038067489 170260288 /nfs/dbraw/zinc/26/02/88/170260288.db2.gz NYIDRQSWJGZQKG-GXTWGEPZSA-N 1 1 243.391 3.133 10 0 BGAEMO CC[NH2+][C@H](c1ccccn1)c1ccccc1Cl ZINC000038078537 170164652 /nfs/dbraw/zinc/16/46/52/170164652.db2.gz BUTCAUGGZDOXQV-AWEZNQCLSA-N 1 1 246.741 3.434 10 0 BGAEMO CC[NH2+][C@@H](c1ccccn1)c1ccccc1Cl ZINC000038078538 170148259 /nfs/dbraw/zinc/14/82/59/170148259.db2.gz BUTCAUGGZDOXQV-CQSZACIVSA-N 1 1 246.741 3.434 10 0 BGAEMO CC(C)C[C@H](c1ccccc1)N1CCC[NH2+]CC1 ZINC000038086901 188116563 /nfs/dbraw/zinc/11/65/63/188116563.db2.gz DASYROHAEVDXIE-MRXNPFEDSA-N 1 1 246.398 3.069 10 0 BGAEMO CC(C)C[C@H](c1ccccc1)[N@H+]1CCCNCC1 ZINC000038086901 188116561 /nfs/dbraw/zinc/11/65/61/188116561.db2.gz DASYROHAEVDXIE-MRXNPFEDSA-N 1 1 246.398 3.069 10 0 BGAEMO CC(C)C[C@H](c1ccccc1)[N@@H+]1CCCNCC1 ZINC000038086901 188116559 /nfs/dbraw/zinc/11/65/59/188116559.db2.gz DASYROHAEVDXIE-MRXNPFEDSA-N 1 1 246.398 3.069 10 0 BGAEMO Cc1csc(C[NH2+][C@@H](C)c2ccc(O)cc2)n1 ZINC000038090738 187262524 /nfs/dbraw/zinc/26/25/24/187262524.db2.gz ZXLOXIWAHHWHBW-JTQLQIEISA-N 1 1 248.351 3.008 10 0 BGAEMO Cc1csc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000038090768 188282781 /nfs/dbraw/zinc/28/27/81/188282781.db2.gz RGYIMMQBTNCZLI-VIFPVBQESA-N 1 1 238.381 3.364 10 0 BGAEMO Cc1csc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000038090769 343059647 /nfs/dbraw/zinc/05/96/47/343059647.db2.gz RGYIMMQBTNCZLI-SECBINFHSA-N 1 1 238.381 3.364 10 0 BGAEMO Cc1ccc([C@H](C)Nc2cccc(C)[nH+]2)o1 ZINC000038097851 179152934 /nfs/dbraw/zinc/15/29/34/179152934.db2.gz PFWHSONATAGPGS-NSHDSACASA-N 1 1 216.284 3.465 10 0 BGAEMO Cc1ccc([C@@H](C)Nc2cccc(C)[nH+]2)o1 ZINC000038097852 179156627 /nfs/dbraw/zinc/15/66/27/179156627.db2.gz PFWHSONATAGPGS-LLVKDONJSA-N 1 1 216.284 3.465 10 0 BGAEMO C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C(=O)CCC2 ZINC000038247263 368325665 /nfs/dbraw/zinc/32/56/65/368325665.db2.gz NEGVTFZDBOCVIM-SNPRPXQTSA-N 1 1 243.350 3.334 10 0 BGAEMO CC[C@]1(c2cccc(OC)c2)CCCC[N@@H+](C)C1 ZINC000038612003 343378129 /nfs/dbraw/zinc/37/81/29/343378129.db2.gz MJHKYIKIHNDTBK-INIZCTEOSA-N 1 1 247.382 3.459 10 0 BGAEMO CC[C@@]1(c2cccc(OC)c2)CCCC[N@@H+](C)C1 ZINC000038612004 171216666 /nfs/dbraw/zinc/21/66/66/171216666.db2.gz MJHKYIKIHNDTBK-MRXNPFEDSA-N 1 1 247.382 3.459 10 0 BGAEMO C[C@]1(c2ccccc2)CC[N@H+](C2CCC2)CO1 ZINC000038674694 368327940 /nfs/dbraw/zinc/32/79/40/368327940.db2.gz AAQVYFZGLUVTTR-OAHLLOKOSA-N 1 1 231.339 3.134 10 0 BGAEMO C[C@]1(c2ccccc2)CC[N@@H+](C2CCC2)CO1 ZINC000038674694 368327934 /nfs/dbraw/zinc/32/79/34/368327934.db2.gz AAQVYFZGLUVTTR-OAHLLOKOSA-N 1 1 231.339 3.134 10 0 BGAEMO C[C@@]1(c2ccccc2)CC[N@H+](C2CCC2)CO1 ZINC000038674696 368328046 /nfs/dbraw/zinc/32/80/46/368328046.db2.gz AAQVYFZGLUVTTR-HNNXBMFYSA-N 1 1 231.339 3.134 10 0 BGAEMO C[C@@]1(c2ccccc2)CC[N@@H+](C2CCC2)CO1 ZINC000038674696 368328043 /nfs/dbraw/zinc/32/80/43/368328043.db2.gz AAQVYFZGLUVTTR-HNNXBMFYSA-N 1 1 231.339 3.134 10 0 BGAEMO CCCN(CCC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000038808861 169150614 /nfs/dbraw/zinc/15/06/14/169150614.db2.gz VEYIGMPXATWRAI-HNNXBMFYSA-N 1 1 234.387 3.117 10 0 BGAEMO CCCN(CCC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000038808863 372773613 /nfs/dbraw/zinc/77/36/13/372773613.db2.gz VEYIGMPXATWRAI-OAHLLOKOSA-N 1 1 234.387 3.117 10 0 BGAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000038808871 169150460 /nfs/dbraw/zinc/15/04/60/169150460.db2.gz YHWXAZAEWUZYTC-HNNXBMFYSA-N 1 1 234.387 3.117 10 0 BGAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000038808874 169152373 /nfs/dbraw/zinc/15/23/73/169152373.db2.gz YHWXAZAEWUZYTC-OAHLLOKOSA-N 1 1 234.387 3.117 10 0 BGAEMO CCC1=C(c2ccccc2)CC[N@@H+](C)C1 ZINC000039100671 343383978 /nfs/dbraw/zinc/38/39/78/343383978.db2.gz PQFFYQWSFAUTPS-UHFFFAOYSA-N 1 1 201.313 3.186 10 0 BGAEMO CC[C@@H]1[NH2+]C(C)(C)c2ccccc2S1 ZINC000039101180 171145146 /nfs/dbraw/zinc/14/51/46/171145146.db2.gz NBGDVGOENRIREZ-LLVKDONJSA-N 1 1 207.342 3.353 10 0 BGAEMO CC[N@H+]1Cc2c3ccccc3oc2C[C@@H]1C ZINC000039101798 170040437 /nfs/dbraw/zinc/04/04/37/170040437.db2.gz JEPBNWXDQAGOJU-JTQLQIEISA-N 1 1 215.296 3.199 10 0 BGAEMO CC[N@H+]1Cc2c3ccccc3oc2C[C@H]1C ZINC000039101799 170041181 /nfs/dbraw/zinc/04/11/81/170041181.db2.gz JEPBNWXDQAGOJU-SNVBAGLBSA-N 1 1 215.296 3.199 10 0 BGAEMO CC[N@H+]1CC=C(c2cccc(C)c2)[C@H](C)C1 ZINC000039101800 343383909 /nfs/dbraw/zinc/38/39/09/343383909.db2.gz KZWPSSKTJVURSD-CYBMUJFWSA-N 1 1 215.340 3.350 10 0 BGAEMO CC[N@H+]1CC=C(c2cccc(C)c2)[C@@H](C)C1 ZINC000039101801 343384411 /nfs/dbraw/zinc/38/44/11/343384411.db2.gz KZWPSSKTJVURSD-ZDUSSCGKSA-N 1 1 215.340 3.350 10 0 BGAEMO CC[N@H+]1CCC(c2ccccc2C)=C(C)C1 ZINC000039101802 169957804 /nfs/dbraw/zinc/95/78/04/169957804.db2.gz VPNWMLMJQSALHO-UHFFFAOYSA-N 1 1 215.340 3.494 10 0 BGAEMO CC[C@]1(c2ccccc2)CCCC[N@@H+](C)C1 ZINC000039101952 343384462 /nfs/dbraw/zinc/38/44/62/343384462.db2.gz HENWCVSKXNYCGD-HNNXBMFYSA-N 1 1 217.356 3.450 10 0 BGAEMO CC[C@@]1(c2ccccc2)CCCC[N@@H+](C)C1 ZINC000039101953 171215420 /nfs/dbraw/zinc/21/54/20/171215420.db2.gz HENWCVSKXNYCGD-OAHLLOKOSA-N 1 1 217.356 3.450 10 0 BGAEMO CCc1ccc(NC(=[NH2+])c2cccnc2)cc1 ZINC000039102530 384102733 /nfs/dbraw/zinc/10/27/33/384102733.db2.gz GTWQZBNVXRUFGT-UHFFFAOYSA-N 1 1 225.295 3.081 10 0 BGAEMO COC(=[NH2+])Cc1c(C)c(C)cc(C)c1C ZINC000039105414 384105503 /nfs/dbraw/zinc/10/55/03/384105503.db2.gz MJPDFIIWSAEEGW-UHFFFAOYSA-N 1 1 205.301 3.086 10 0 BGAEMO C/C=C1\C[N@@H+](Cc2ccccc2)CC=C1C ZINC000039109380 188282903 /nfs/dbraw/zinc/28/29/03/188282903.db2.gz UKRLXBNAFJUJBF-CRKCGEKBSA-N 1 1 213.324 3.395 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(O)cc1 ZINC000039110112 177116953 /nfs/dbraw/zinc/11/69/53/177116953.db2.gz QKNACWBDEQSHOO-TXEJJXNPSA-N 1 1 219.328 3.155 10 0 BGAEMO CCCCCC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000039111010 631749591 /nfs/dbraw/zinc/74/95/91/631749591.db2.gz BSSLQATXPHOWCK-KBPBESRZSA-N 1 1 227.392 3.050 10 0 BGAEMO CCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000039111011 631750022 /nfs/dbraw/zinc/75/00/22/631750022.db2.gz BSSLQATXPHOWCK-UONOGXRCSA-N 1 1 227.392 3.050 10 0 BGAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000039142642 169150701 /nfs/dbraw/zinc/15/07/01/169150701.db2.gz MIARNIWHTXLLSB-INIZCTEOSA-N 1 1 248.414 3.371 10 0 BGAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000039142645 169151976 /nfs/dbraw/zinc/15/19/76/169151976.db2.gz MIARNIWHTXLLSB-MRXNPFEDSA-N 1 1 248.414 3.371 10 0 BGAEMO C[N@H+]1C[C@@H]2CCCC[C@]2(c2ccccc2)C1 ZINC000039191212 173187723 /nfs/dbraw/zinc/18/77/23/173187723.db2.gz KOMUTRYSVZSJSV-LSDHHAIUSA-N 1 1 215.340 3.060 10 0 BGAEMO C[N@H+]1CC[C@@]2(c3cccc(O)c3)CCCC[C@@H]2C1 ZINC000039347280 347190013 /nfs/dbraw/zinc/19/00/13/347190013.db2.gz ZMMPBZMELZHMIT-GDBMZVCRSA-N 1 1 245.366 3.156 10 0 BGAEMO COc1ccc(C[C@@H]2CC(C)=C(C)C[N@H+]2C)cc1 ZINC000039476813 368330437 /nfs/dbraw/zinc/33/04/37/368330437.db2.gz YLMKSXLVWNZHPB-HNNXBMFYSA-N 1 1 245.366 3.278 10 0 BGAEMO COc1ccc(C[C@H]2CC(C)=C(C)C[N@H+]2C)cc1 ZINC000039476815 368330200 /nfs/dbraw/zinc/33/02/00/368330200.db2.gz YLMKSXLVWNZHPB-OAHLLOKOSA-N 1 1 245.366 3.278 10 0 BGAEMO CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000040431890 188118652 /nfs/dbraw/zinc/11/86/52/188118652.db2.gz JQELSRZROWCWHY-JKSUJKDBSA-N 1 1 246.398 3.167 10 0 BGAEMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1N ZINC000040431890 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Cc1ccccc1[C@H](C[NH3+])N(C)[C@@H](C)CC(C)C ZINC000042563374 179341498 /nfs/dbraw/zinc/34/14/98/179341498.db2.gz UAAFPTUNKVPJJJ-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@H+](C)[C@@H](C)CC(C)C ZINC000042563374 179341496 /nfs/dbraw/zinc/34/14/96/179341496.db2.gz UAAFPTUNKVPJJJ-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H](C[NH3+])N(C)[C@@H](C)CC(C)C)c1 ZINC000042563379 179185436 /nfs/dbraw/zinc/18/54/36/179185436.db2.gz UHOZKJDCBLMTNS-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@H+](C)[C@@H](C)CC(C)C)c1 ZINC000042563379 179185434 /nfs/dbraw/zinc/18/54/34/179185434.db2.gz UHOZKJDCBLMTNS-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H](C[NH3+])N(C)[C@@H](C)CC(C)C)c1 ZINC000042563380 179199089 /nfs/dbraw/zinc/19/90/89/179199089.db2.gz UHOZKJDCBLMTNS-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H](CN)[N@H+](C)[C@@H](C)CC(C)C)c1 ZINC000042563380 179199088 /nfs/dbraw/zinc/19/90/88/179199088.db2.gz UHOZKJDCBLMTNS-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@]1(CN)CCC[C@@H](C)C1 ZINC000042563448 188121002 /nfs/dbraw/zinc/12/10/02/188121002.db2.gz MMWJAWZEISOECU-ILXRZTDVSA-N 1 1 240.435 3.260 10 0 BGAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)C1CCCCC1 ZINC000042577445 188294231 /nfs/dbraw/zinc/29/42/31/188294231.db2.gz TXSCHCIEIZIDIB-ZFWWWQNUSA-N 1 1 240.435 3.260 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@@H+](CC(C)C)C(C)C ZINC000042579025 179341322 /nfs/dbraw/zinc/34/13/22/179341322.db2.gz JQVLOQSCQDZDSI-INIZCTEOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@@H+](CC(C)C)C(C)C)c1 ZINC000042579036 179184887 /nfs/dbraw/zinc/18/48/87/179184887.db2.gz MUPSPTHPOYDCCB-MRXNPFEDSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H](CN)[N@@H+](CC(C)C)C(C)C)c1 ZINC000042579039 179198463 /nfs/dbraw/zinc/19/84/63/179198463.db2.gz MUPSPTHPOYDCCB-INIZCTEOSA-N 1 1 248.414 3.361 10 0 BGAEMO CC(C)[N@@H+](CC1CC1)C1(CN)CCC(C)CC1 ZINC000042579910 168154110 /nfs/dbraw/zinc/15/41/10/168154110.db2.gz YAELOEGZEJZBDE-UHFFFAOYSA-N 1 1 238.419 3.014 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@H+](CC1CC1)C(C)C ZINC000042579953 179342327 /nfs/dbraw/zinc/34/23/27/179342327.db2.gz UTDPJGXQLAZCGG-INIZCTEOSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@H+](CC2CC2)C(C)C)c1 ZINC000042579960 179185462 /nfs/dbraw/zinc/18/54/62/179185462.db2.gz ZUCQGZGBIKSMIY-MRXNPFEDSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H](CN)[N@H+](CC2CC2)C(C)C)c1 ZINC000042579961 179199035 /nfs/dbraw/zinc/19/90/35/179199035.db2.gz ZUCQGZGBIKSMIY-INIZCTEOSA-N 1 1 246.398 3.115 10 0 BGAEMO CCC[NH2+][C@@H]1CCN([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580653 169282701 /nfs/dbraw/zinc/28/27/01/169282701.db2.gz NJAQNCGXNYNZBA-RRFJBIMHSA-N 1 1 238.419 3.029 10 0 BGAEMO CCC[NH2+][C@H]1CCN([C@@H]2CCCC[C@@H]2CC)C1 ZINC000042580656 169291423 /nfs/dbraw/zinc/29/14/23/169291423.db2.gz NJAQNCGXNYNZBA-SOUVJXGZSA-N 1 1 238.419 3.029 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)[C@@H](C)CC(C)C)C1 ZINC000042580873 171056198 /nfs/dbraw/zinc/05/61/98/171056198.db2.gz IZKCCMJVGHDMHZ-LJISPDSOSA-N 1 1 240.435 3.259 10 0 BGAEMO Cc1ccccc1[C@H]([NH3+])CN(C)[C@@H](C)CC(C)C ZINC000042580897 179343089 /nfs/dbraw/zinc/34/30/89/179343089.db2.gz BVOXOCRDISPUSY-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@H+](C)[C@@H](C)CC(C)C ZINC000042580897 179343087 /nfs/dbraw/zinc/34/30/87/179343087.db2.gz BVOXOCRDISPUSY-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([NH3+])CN(C)[C@@H](C)CC(C)C ZINC000042580900 179325045 /nfs/dbraw/zinc/32/50/45/179325045.db2.gz BVOXOCRDISPUSY-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H](N)C[N@H+](C)[C@@H](C)CC(C)C ZINC000042580900 179325044 /nfs/dbraw/zinc/32/50/44/179325044.db2.gz BVOXOCRDISPUSY-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CCCCCC[C@@H]1N ZINC000042581068 188294022 /nfs/dbraw/zinc/29/40/22/188294022.db2.gz XQOVMVCHDYZOCJ-SOUVJXGZSA-N 1 1 240.435 3.403 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](CC(C)C)C(C)C)C1 ZINC000042581531 171056479 /nfs/dbraw/zinc/05/64/79/171056479.db2.gz PBDGSVBCICNDRK-QLFBSQMISA-N 1 1 240.435 3.259 10 0 BGAEMO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](CC(C)C)C(C)C)C1 ZINC000042581537 171040149 /nfs/dbraw/zinc/04/01/49/171040149.db2.gz PBDGSVBCICNDRK-RBSFLKMASA-N 1 1 240.435 3.259 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@H+](CC(C)C)C(C)C ZINC000042581554 179343151 /nfs/dbraw/zinc/34/31/51/179343151.db2.gz XPMLXLXLVQMHIQ-MRXNPFEDSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H](N)C[N@H+](CC(C)C)C(C)C ZINC000042581557 179324759 /nfs/dbraw/zinc/32/47/59/179324759.db2.gz XPMLXLXLVQMHIQ-INIZCTEOSA-N 1 1 248.414 3.361 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](CC2CC2)C(C)C)C1 ZINC000042581896 171056434 /nfs/dbraw/zinc/05/64/34/171056434.db2.gz KIXFAJMGCYIBAB-VHDGCEQUSA-N 1 1 238.419 3.013 10 0 BGAEMO CC[C@@H]1CC[C@@H](N)[C@H]([N@@H+](CC2CC2)C(C)C)C1 ZINC000042581902 171040367 /nfs/dbraw/zinc/04/03/67/171040367.db2.gz KIXFAJMGCYIBAB-BPLDGKMQSA-N 1 1 238.419 3.013 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@@H+](CC1CC1)C(C)C ZINC000042581926 179344086 /nfs/dbraw/zinc/34/40/86/179344086.db2.gz ALALXASLENQACO-MRXNPFEDSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@@H](N)C[N@@H+](CC1CC1)C(C)C ZINC000042581929 179325178 /nfs/dbraw/zinc/32/51/78/179325178.db2.gz ALALXASLENQACO-INIZCTEOSA-N 1 1 246.398 3.115 10 0 BGAEMO CC(C)C[N@@H+](C(C)C)[C@@H]1CNc2ccccc2C1 ZINC000042584376 166930487 /nfs/dbraw/zinc/93/04/87/166930487.db2.gz AWXUYWUGEPKVFH-HNNXBMFYSA-N 1 1 246.398 3.390 10 0 BGAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)Cc1ccccc1 ZINC000042586682 188293406 /nfs/dbraw/zinc/29/34/06/188293406.db2.gz QRNIRAICZJRWND-AWEZNQCLSA-N 1 1 247.382 3.165 10 0 BGAEMO CC[NH2+]C1CCN([C@@H](C)CCCC(C)C)CC1 ZINC000042590280 170110029 /nfs/dbraw/zinc/11/00/29/170110029.db2.gz HVYVEHHVCGNTHR-AWEZNQCLSA-N 1 1 240.435 3.275 10 0 BGAEMO CC[NH2+]C1CCN([C@H](C)CCCC(C)C)CC1 ZINC000042590282 170109737 /nfs/dbraw/zinc/10/97/37/170109737.db2.gz HVYVEHHVCGNTHR-CQSZACIVSA-N 1 1 240.435 3.275 10 0 BGAEMO CC[C@H](Nc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000042590739 322839075 /nfs/dbraw/zinc/83/90/75/322839075.db2.gz QGYQVNGUOHLJGN-JTQLQIEISA-N 1 1 217.316 3.409 10 0 BGAEMO CC[C@@H](Nc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000042590742 322838964 /nfs/dbraw/zinc/83/89/64/322838964.db2.gz QGYQVNGUOHLJGN-SNVBAGLBSA-N 1 1 217.316 3.409 10 0 BGAEMO CC[C@H](C(C)C)n1c(C)c(C)c2c1nc[nH+]c2N ZINC000042592543 171243267 /nfs/dbraw/zinc/24/32/67/171243267.db2.gz MREIXQVPQNSEMH-LLVKDONJSA-N 1 1 246.358 3.237 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1N ZINC000042601421 176079332 /nfs/dbraw/zinc/07/93/32/176079332.db2.gz DXCXULSGTGARGN-DOMZBBRYSA-N 1 1 232.371 3.279 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1N ZINC000042601424 177081200 /nfs/dbraw/zinc/08/12/00/177081200.db2.gz DXCXULSGTGARGN-WFASDCNBSA-N 1 1 232.371 3.279 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1N ZINC000042601427 176086471 /nfs/dbraw/zinc/08/64/71/176086471.db2.gz DXCXULSGTGARGN-IUODEOHRSA-N 1 1 232.371 3.279 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1N ZINC000042601430 177086978 /nfs/dbraw/zinc/08/69/78/177086978.db2.gz DXCXULSGTGARGN-SWLSCSKDSA-N 1 1 232.371 3.279 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602342 177081341 /nfs/dbraw/zinc/08/13/41/177081341.db2.gz VYMGWEFSNFMPHU-LJISPDSOSA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000042602395 176079349 /nfs/dbraw/zinc/07/93/49/176079349.db2.gz GNXMIPXNGXETGJ-HZSPNIEDSA-N 1 1 237.387 3.399 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000042602397 177080535 /nfs/dbraw/zinc/08/05/35/177080535.db2.gz GNXMIPXNGXETGJ-MELADBBJSA-N 1 1 237.387 3.399 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000042602399 176086133 /nfs/dbraw/zinc/08/61/33/176086133.db2.gz GNXMIPXNGXETGJ-MGPQQGTHSA-N 1 1 237.387 3.399 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000042602401 177086625 /nfs/dbraw/zinc/08/66/25/177086625.db2.gz GNXMIPXNGXETGJ-BFHYXJOUSA-N 1 1 237.387 3.399 10 0 BGAEMO C[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000042607284 177086923 /nfs/dbraw/zinc/08/69/23/177086923.db2.gz OYLVIIQLCXWVHI-GZBLMMOJSA-N 1 1 238.419 3.013 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607288 176078915 /nfs/dbraw/zinc/07/89/15/176078915.db2.gz CXOLUVRHRDDAHP-CBBWQLFWSA-N 1 1 238.419 3.157 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607290 176086847 /nfs/dbraw/zinc/08/68/47/176086847.db2.gz CXOLUVRHRDDAHP-LXTVHRRPSA-N 1 1 238.419 3.157 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607291 177087551 /nfs/dbraw/zinc/08/75/51/177087551.db2.gz CXOLUVRHRDDAHP-BYNSBNAKSA-N 1 1 238.419 3.157 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607991 177080579 /nfs/dbraw/zinc/08/05/79/177080579.db2.gz YOUVJRBKLGSZPV-KKUMJFAQSA-N 1 1 238.419 3.029 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)c1ccccc1 ZINC000042609047 176077749 /nfs/dbraw/zinc/07/77/49/176077749.db2.gz SHAMBZNQNFVPNE-HIFRSBDPSA-N 1 1 245.366 3.380 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccccc1 ZINC000042609049 176085734 /nfs/dbraw/zinc/08/57/34/176085734.db2.gz SHAMBZNQNFVPNE-UKRRQHHQSA-N 1 1 245.366 3.380 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)c1ccccc1 ZINC000042609050 177087478 /nfs/dbraw/zinc/08/74/78/177087478.db2.gz SHAMBZNQNFVPNE-DZGCQCFKSA-N 1 1 245.366 3.380 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH2+]C(C)(C)C ZINC000042609962 177081126 /nfs/dbraw/zinc/08/11/26/177081126.db2.gz BUFMSRVOWLMIMB-KBPBESRZSA-N 1 1 240.435 3.275 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(N)CCCCC1 ZINC000042611068 176079235 /nfs/dbraw/zinc/07/92/35/176079235.db2.gz FACWAYIHYWOWQJ-KGLIPLIRSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(N)CCCCC1 ZINC000042611071 176086449 /nfs/dbraw/zinc/08/64/49/176086449.db2.gz FACWAYIHYWOWQJ-ZIAGYGMSSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(N)CCCCC1 ZINC000042611073 177087379 /nfs/dbraw/zinc/08/73/79/177087379.db2.gz FACWAYIHYWOWQJ-UONOGXRCSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1(CN)CCCCC1 ZINC000042679734 177087251 /nfs/dbraw/zinc/08/72/51/177087251.db2.gz UXHJGWXUTDYNNI-UONOGXRCSA-N 1 1 238.419 3.159 10 0 BGAEMO C[C@H]([N@@H+](C)[C@]1(CN)CCCC[C@H]1C)C(C)(C)C ZINC000042742099 176745418 /nfs/dbraw/zinc/74/54/18/176745418.db2.gz ICYWADLKDLILME-IPYPFGDCSA-N 1 1 240.435 3.260 10 0 BGAEMO C[C@H]([N@@H+](C)C1(CN)CCC(C)CC1)C(C)(C)C ZINC000042742123 168152929 /nfs/dbraw/zinc/15/29/29/168152929.db2.gz RLAFYJXIOQDLNV-OWYJLGKBSA-N 1 1 240.435 3.260 10 0 BGAEMO C[C@@H]([N@@H+](C)C1(CN)CCC(C)CC1)C(C)(C)C ZINC000042742126 168154285 /nfs/dbraw/zinc/15/42/85/168154285.db2.gz RLAFYJXIOQDLNV-JVWICGRDSA-N 1 1 240.435 3.260 10 0 BGAEMO Cc1ccccc1[C@@H](C[NH3+])N(C)[C@@H](C)C(C)(C)C ZINC000042742158 187266403 /nfs/dbraw/zinc/26/64/03/187266403.db2.gz UKNLHCWGLTTYAR-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H](CN)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042742158 187266401 /nfs/dbraw/zinc/26/64/01/187266401.db2.gz UKNLHCWGLTTYAR-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](C[NH3+])N(C)[C@@H](C)C(C)(C)C ZINC000042742160 179341678 /nfs/dbraw/zinc/34/16/78/179341678.db2.gz UKNLHCWGLTTYAR-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](CN)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042742160 179341677 /nfs/dbraw/zinc/34/16/77/179341677.db2.gz UKNLHCWGLTTYAR-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H](C[NH3+])N(C)[C@@H](C)C(C)(C)C)c1 ZINC000042742169 179184932 /nfs/dbraw/zinc/18/49/32/179184932.db2.gz DIJUKLCBMVCTIA-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000042742169 179184930 /nfs/dbraw/zinc/18/49/30/179184930.db2.gz DIJUKLCBMVCTIA-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H](C[NH3+])N(C)[C@@H](C)C(C)(C)C)c1 ZINC000042742172 179198382 /nfs/dbraw/zinc/19/83/82/179198382.db2.gz DIJUKLCBMVCTIA-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H](CN)[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000042742172 179198381 /nfs/dbraw/zinc/19/83/81/179198381.db2.gz DIJUKLCBMVCTIA-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000042747283 171056304 /nfs/dbraw/zinc/05/63/04/171056304.db2.gz RIHMLACYUDAYIE-RFQIPJPRSA-N 1 1 240.435 3.259 10 0 BGAEMO Cc1ccccc1[C@H]([NH3+])CN(C)[C@@H](C)C(C)(C)C ZINC000042747308 179343234 /nfs/dbraw/zinc/34/32/34/179343234.db2.gz APJHXNUXLPGVNY-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](N)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042747308 179343232 /nfs/dbraw/zinc/34/32/32/179343232.db2.gz APJHXNUXLPGVNY-DZGCQCFKSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([NH3+])CN(C)[C@@H](C)C(C)(C)C ZINC000042747311 179324882 /nfs/dbraw/zinc/32/48/82/179324882.db2.gz APJHXNUXLPGVNY-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H](N)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042747311 179324879 /nfs/dbraw/zinc/32/48/79/179324879.db2.gz APJHXNUXLPGVNY-ZFWWWQNUSA-N 1 1 248.414 3.361 10 0 BGAEMO C[C@@H]([C@H](N)c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042747415 176012479 /nfs/dbraw/zinc/01/24/79/176012479.db2.gz WYJHACLCHXTWBM-YDHLFZDLSA-N 1 1 248.414 3.441 10 0 BGAEMO C[C@H]([C@H](N)c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042747418 176744016 /nfs/dbraw/zinc/74/40/16/176744016.db2.gz WYJHACLCHXTWBM-IPYPFGDCSA-N 1 1 248.414 3.441 10 0 BGAEMO C[C@@H]([C@@H](N)c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042747421 176011273 /nfs/dbraw/zinc/01/12/73/176011273.db2.gz WYJHACLCHXTWBM-KCQAQPDRSA-N 1 1 248.414 3.441 10 0 BGAEMO Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)ccc1N ZINC000042781581 177977760 /nfs/dbraw/zinc/97/77/60/177977760.db2.gz VOPGXGRMLSWANG-LBPRGKRZSA-N 1 1 234.387 3.444 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1Cc2cccc(N)c2C1 ZINC000042866704 176076773 /nfs/dbraw/zinc/07/67/73/176076773.db2.gz PGODIOAEXUIXHO-CHWSQXEVSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@H]1CCCC[C@@H]1C[N@H+]1Cc2cccc(N)c2C1 ZINC000042866706 177079531 /nfs/dbraw/zinc/07/95/31/177079531.db2.gz PGODIOAEXUIXHO-QWHCGFSZSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1Cc2cccc(N)c2C1 ZINC000042866709 176085015 /nfs/dbraw/zinc/08/50/15/176085015.db2.gz PGODIOAEXUIXHO-OLZOCXBDSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@H]1CCCC[C@H]1C[N@H+]1Cc2cccc(N)c2C1 ZINC000042866712 177085174 /nfs/dbraw/zinc/08/51/74/177085174.db2.gz PGODIOAEXUIXHO-STQMWFEESA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(N)cc2C1 ZINC000042866715 176076668 /nfs/dbraw/zinc/07/66/68/176076668.db2.gz YDNWIMVEYXCALL-CHWSQXEVSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@H]1CCCC[C@@H]1C[N@H+]1Cc2ccc(N)cc2C1 ZINC000042866717 177079513 /nfs/dbraw/zinc/07/95/13/177079513.db2.gz YDNWIMVEYXCALL-QWHCGFSZSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(N)cc2C1 ZINC000042866719 176084033 /nfs/dbraw/zinc/08/40/33/176084033.db2.gz YDNWIMVEYXCALL-OLZOCXBDSA-N 1 1 244.382 3.411 10 0 BGAEMO C[C@H]1CCCC[C@H]1C[N@H+]1Cc2ccc(N)cc2C1 ZINC000042866722 177085266 /nfs/dbraw/zinc/08/52/66/177085266.db2.gz YDNWIMVEYXCALL-STQMWFEESA-N 1 1 244.382 3.411 10 0 BGAEMO CCCN(CCC)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042900704 169150636 /nfs/dbraw/zinc/15/06/36/169150636.db2.gz HWRWOERNLQTHDB-UKRRQHHQSA-N 1 1 234.387 3.197 10 0 BGAEMO CCCN(CCC)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042900706 169152749 /nfs/dbraw/zinc/15/27/49/169152749.db2.gz HWRWOERNLQTHDB-HIFRSBDPSA-N 1 1 234.387 3.197 10 0 BGAEMO CCCN(CCC)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042900709 169150154 /nfs/dbraw/zinc/15/01/54/169150154.db2.gz HWRWOERNLQTHDB-DZGCQCFKSA-N 1 1 234.387 3.197 10 0 BGAEMO CCCN(CCC)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042900712 169152272 /nfs/dbraw/zinc/15/22/72/169152272.db2.gz HWRWOERNLQTHDB-ZFWWWQNUSA-N 1 1 234.387 3.197 10 0 BGAEMO C[C@@H](N)[C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000042900809 177315366 /nfs/dbraw/zinc/31/53/66/177315366.db2.gz BTAKGZIXVKIFMC-HLPPOEQASA-N 1 1 246.398 3.053 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901107 169049191 /nfs/dbraw/zinc/04/91/91/169049191.db2.gz NLLHQMOHDWTSMS-UKRRQHHQSA-N 1 1 234.387 3.195 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901110 169048741 /nfs/dbraw/zinc/04/87/41/169048741.db2.gz NLLHQMOHDWTSMS-HIFRSBDPSA-N 1 1 234.387 3.195 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901146 171312685 /nfs/dbraw/zinc/31/26/85/171312685.db2.gz XOLGAGLUNJBLRN-GZBFAFLISA-N 1 1 234.387 3.195 10 0 BGAEMO CC[C@H](C)CN(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901158 171274243 /nfs/dbraw/zinc/27/42/43/171274243.db2.gz XLALFRCIEKSNEG-GZBFAFLISA-N 1 1 234.387 3.053 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901158 171274239 /nfs/dbraw/zinc/27/42/39/171274239.db2.gz XLALFRCIEKSNEG-GZBFAFLISA-N 1 1 234.387 3.053 10 0 BGAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901327 188122212 /nfs/dbraw/zinc/12/22/12/188122212.db2.gz BDAADXDJTKDFGV-VNHYZAJKSA-N 1 1 234.387 3.051 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901330 168369511 /nfs/dbraw/zinc/36/95/11/168369511.db2.gz AXZYJSZDTLUDCN-IUODEOHRSA-N 1 1 234.387 3.195 10 0 BGAEMO CCC(CC)[N@@H+](C)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901333 168369242 /nfs/dbraw/zinc/36/92/42/168369242.db2.gz AXZYJSZDTLUDCN-DOMZBBRYSA-N 1 1 234.387 3.195 10 0 BGAEMO CCC[N@@H+](CC1CC1)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901588 169138649 /nfs/dbraw/zinc/13/86/49/169138649.db2.gz BQHKXMVQDXAIHZ-CZUORRHYSA-N 1 1 246.398 3.197 10 0 BGAEMO CCC[N@@H+](CC1CC1)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901591 169138141 /nfs/dbraw/zinc/13/81/41/169138141.db2.gz BQHKXMVQDXAIHZ-CJNGLKHVSA-N 1 1 246.398 3.197 10 0 BGAEMO CCCN(CC)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908239 169132561 /nfs/dbraw/zinc/13/25/61/169132561.db2.gz ZDDGUXPKSQDNNN-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908239 169132556 /nfs/dbraw/zinc/13/25/56/169132556.db2.gz ZDDGUXPKSQDNNN-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(CC)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908242 169132215 /nfs/dbraw/zinc/13/22/15/169132215.db2.gz ZDDGUXPKSQDNNN-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908242 169132208 /nfs/dbraw/zinc/13/22/08/169132208.db2.gz ZDDGUXPKSQDNNN-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN([C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908250 169090633 /nfs/dbraw/zinc/09/06/33/169090633.db2.gz WSIUJMORCNZZQG-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@@H](c1ccc(C)cc1)[C@@H](C)N)C1CC1 ZINC000042908250 169090632 /nfs/dbraw/zinc/09/06/32/169090632.db2.gz WSIUJMORCNZZQG-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN([C@H](c1ccc(C)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042908253 169091081 /nfs/dbraw/zinc/09/10/81/169091081.db2.gz WSIUJMORCNZZQG-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@H](c1ccc(C)cc1)[C@@H](C)N)C1CC1 ZINC000042908253 169091080 /nfs/dbraw/zinc/09/10/80/169091080.db2.gz WSIUJMORCNZZQG-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CC[C@H](C)N(C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908275 171309619 /nfs/dbraw/zinc/30/96/19/171309619.db2.gz JQJFTFDTKAXPRW-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908275 171309612 /nfs/dbraw/zinc/30/96/12/171309612.db2.gz JQJFTFDTKAXPRW-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)CN(C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908297 171274133 /nfs/dbraw/zinc/27/41/33/171274133.db2.gz RWRRSNAOYMLATP-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908297 171274126 /nfs/dbraw/zinc/27/41/26/171274126.db2.gz RWRRSNAOYMLATP-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccc([C@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000042908486 178917863 /nfs/dbraw/zinc/91/78/63/178917863.db2.gz KFIGWAOSCQTNIV-YCPHGPKFSA-N 1 1 248.414 3.360 10 0 BGAEMO CCCN(C)[C@@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042913721 169085659 /nfs/dbraw/zinc/08/56/59/169085659.db2.gz QZCNDBVHPBMNLD-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913721 169085658 /nfs/dbraw/zinc/08/56/58/169085658.db2.gz QZCNDBVHPBMNLD-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(C)[C@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042913723 169087649 /nfs/dbraw/zinc/08/76/49/169087649.db2.gz QZCNDBVHPBMNLD-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913723 169087647 /nfs/dbraw/zinc/08/76/47/169087647.db2.gz QZCNDBVHPBMNLD-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC(C)CC2)c1 ZINC000042965319 179188896 /nfs/dbraw/zinc/18/88/96/179188896.db2.gz HRRCHNUAESJRSJ-GDBMZVCRSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC(C)CC2)c1 ZINC000042965321 179204003 /nfs/dbraw/zinc/20/40/03/179204003.db2.gz HRRCHNUAESJRSJ-ZBFHGGJFSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCC(C)CC2)c1 ZINC000042965323 179188703 /nfs/dbraw/zinc/18/87/03/179188703.db2.gz HRRCHNUAESJRSJ-GOEBONIOSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC(C)CC2)c1 ZINC000042965325 179203076 /nfs/dbraw/zinc/20/30/76/179203076.db2.gz HRRCHNUAESJRSJ-HOCLYGCPSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCCC[C@@H]2C)c1 ZINC000042965373 179188391 /nfs/dbraw/zinc/18/83/91/179188391.db2.gz YOLLJQMOJMXBGY-SQWLQELKSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)N)[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965373 179188388 /nfs/dbraw/zinc/18/83/88/179188388.db2.gz YOLLJQMOJMXBGY-SQWLQELKSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCCC[C@@H]2C)c1 ZINC000042965375 179203849 /nfs/dbraw/zinc/20/38/49/179203849.db2.gz YOLLJQMOJMXBGY-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965375 179203848 /nfs/dbraw/zinc/20/38/48/179203848.db2.gz YOLLJQMOJMXBGY-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCCC[C@@H]2C)c1 ZINC000042965377 179188507 /nfs/dbraw/zinc/18/85/07/179188507.db2.gz YOLLJQMOJMXBGY-OFQRWUPVSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)N)[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965377 179188505 /nfs/dbraw/zinc/18/85/05/179188505.db2.gz YOLLJQMOJMXBGY-OFQRWUPVSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCCC[C@@H]2C)c1 ZINC000042965378 179203330 /nfs/dbraw/zinc/20/33/30/179203330.db2.gz YOLLJQMOJMXBGY-DZKIICNBSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+]2CCCC[C@@H]2C)c1 ZINC000042965378 179203327 /nfs/dbraw/zinc/20/33/27/179203327.db2.gz YOLLJQMOJMXBGY-DZKIICNBSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H](C)C2)c1 ZINC000042965414 179204027 /nfs/dbraw/zinc/20/40/27/179204027.db2.gz GQVABXPMWQDVLT-LZWOXQAQSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@H+]2CCC[C@H](C)C2)c1 ZINC000042965414 179204020 /nfs/dbraw/zinc/20/40/20/179204020.db2.gz GQVABXPMWQDVLT-LZWOXQAQSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@H](C)C2)c1 ZINC000042965418 179203883 /nfs/dbraw/zinc/20/38/83/179203883.db2.gz GQVABXPMWQDVLT-DZKIICNBSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+]2CCC[C@H](C)C2)c1 ZINC000042965418 179203878 /nfs/dbraw/zinc/20/38/78/179203878.db2.gz GQVABXPMWQDVLT-DZKIICNBSA-N 1 1 246.398 3.115 10 0 BGAEMO CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N(C)C(C)C ZINC000042965486 170868678 /nfs/dbraw/zinc/86/86/78/170868678.db2.gz ODOTVPHMJOJUMQ-CABCVRRESA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@@H](N)[C@H](c1cccc(C)c1)[N@@H+](C)C(C)C ZINC000042965486 170868677 /nfs/dbraw/zinc/86/86/77/170868677.db2.gz ODOTVPHMJOJUMQ-CABCVRRESA-N 1 1 234.387 3.114 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)N)[N@@H+](C)C2CCCC2)c1 ZINC000042965956 179187858 /nfs/dbraw/zinc/18/78/58/179187858.db2.gz HDARTOLWGROMGO-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@@H+](C)C2CCCC2)c1 ZINC000042965958 179203985 /nfs/dbraw/zinc/20/39/85/179203985.db2.gz HDARTOLWGROMGO-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)N)[N@@H+](C)C2CCCC2)c1 ZINC000042965960 179187738 /nfs/dbraw/zinc/18/77/38/179187738.db2.gz HDARTOLWGROMGO-XJKSGUPXSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@@H+](C)C2CCCC2)c1 ZINC000042965962 179203504 /nfs/dbraw/zinc/20/35/04/179203504.db2.gz HDARTOLWGROMGO-BBRMVZONSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN(CC)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965970 169132015 /nfs/dbraw/zinc/13/20/15/169132015.db2.gz PTBOKIVJGUPKNT-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965970 169132010 /nfs/dbraw/zinc/13/20/10/169132010.db2.gz PTBOKIVJGUPKNT-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(CC)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042965972 169132097 /nfs/dbraw/zinc/13/20/97/169132097.db2.gz PTBOKIVJGUPKNT-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@H](c1cccc(C)c1)[C@@H](C)N ZINC000042965972 169132090 /nfs/dbraw/zinc/13/20/90/169132090.db2.gz PTBOKIVJGUPKNT-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN([C@@H](c1cccc(C)c1)[C@@H](C)[NH3+])C1CC1 ZINC000042965982 169090048 /nfs/dbraw/zinc/09/00/48/169090048.db2.gz DIIPRQXTLAQGIT-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@@H](c1cccc(C)c1)[C@@H](C)N)C1CC1 ZINC000042965982 169090046 /nfs/dbraw/zinc/09/00/46/169090046.db2.gz DIIPRQXTLAQGIT-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN([C@H](c1cccc(C)c1)[C@@H](C)[NH3+])C1CC1 ZINC000042965984 169091311 /nfs/dbraw/zinc/09/13/11/169091311.db2.gz DIIPRQXTLAQGIT-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@H](c1cccc(C)c1)[C@@H](C)N)C1CC1 ZINC000042965984 169091309 /nfs/dbraw/zinc/09/13/09/169091309.db2.gz DIIPRQXTLAQGIT-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN(C)[C@@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042965993 169086984 /nfs/dbraw/zinc/08/69/84/169086984.db2.gz IXEDPPJSKFORBT-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965993 169086983 /nfs/dbraw/zinc/08/69/83/169086983.db2.gz IXEDPPJSKFORBT-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(C)[C@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042965994 169088356 /nfs/dbraw/zinc/08/83/56/169088356.db2.gz IXEDPPJSKFORBT-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965994 169088354 /nfs/dbraw/zinc/08/83/54/169088354.db2.gz IXEDPPJSKFORBT-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO CC[C@H](C)N(C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966010 171309124 /nfs/dbraw/zinc/30/91/24/171309124.db2.gz LLZQMIMIAJOHFO-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966010 171309117 /nfs/dbraw/zinc/30/91/17/171309117.db2.gz LLZQMIMIAJOHFO-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)CN(C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966041 171274887 /nfs/dbraw/zinc/27/48/87/171274887.db2.gz OYZDDKXPNOULEU-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966041 171274884 /nfs/dbraw/zinc/27/48/84/171274884.db2.gz OYZDDKXPNOULEU-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966281 179188639 /nfs/dbraw/zinc/18/86/39/179188639.db2.gz AOJQLLKRDQQWBV-DVOMOZLQSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966283 179203454 /nfs/dbraw/zinc/20/34/54/179203454.db2.gz AOJQLLKRDQQWBV-WWGRRREGSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966285 179189115 /nfs/dbraw/zinc/18/91/15/179189115.db2.gz AOJQLLKRDQQWBV-HEHGZKQESA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966287 179203065 /nfs/dbraw/zinc/20/30/65/179203065.db2.gz AOJQLLKRDQQWBV-XEZPLFJOSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000042966298 179203996 /nfs/dbraw/zinc/20/39/96/179203996.db2.gz OLYOJPPUSFBDER-YCPHGPKFSA-N 1 1 248.414 3.360 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000042966302 179203960 /nfs/dbraw/zinc/20/39/60/179203960.db2.gz OLYOJPPUSFBDER-DZKIICNBSA-N 1 1 248.414 3.360 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CCC(C)C)c1 ZINC000042966981 179188030 /nfs/dbraw/zinc/18/80/30/179188030.db2.gz MQERGBYQNBTKEC-GDBMZVCRSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)N)[N@H+](C)CCC(C)C)c1 ZINC000042966981 179188027 /nfs/dbraw/zinc/18/80/27/179188027.db2.gz MQERGBYQNBTKEC-GDBMZVCRSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)CCC(C)C)c1 ZINC000042966982 179203175 /nfs/dbraw/zinc/20/31/75/179203175.db2.gz MQERGBYQNBTKEC-ZBFHGGJFSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@H+](C)CCC(C)C)c1 ZINC000042966982 179203173 /nfs/dbraw/zinc/20/31/73/179203173.db2.gz MQERGBYQNBTKEC-ZBFHGGJFSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCC(C)C)c1 ZINC000042966984 179187658 /nfs/dbraw/zinc/18/76/58/179187658.db2.gz MQERGBYQNBTKEC-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)N)[N@H+](C)CCC(C)C)c1 ZINC000042966984 179187656 /nfs/dbraw/zinc/18/76/56/179187656.db2.gz MQERGBYQNBTKEC-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)CCC(C)C)c1 ZINC000042966986 179203639 /nfs/dbraw/zinc/20/36/39/179203639.db2.gz MQERGBYQNBTKEC-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+](C)CCC(C)C)c1 ZINC000042966986 179203637 /nfs/dbraw/zinc/20/36/37/179203637.db2.gz MQERGBYQNBTKEC-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000043033230 179327428 /nfs/dbraw/zinc/32/74/28/179327428.db2.gz TXHOGZRDUGMUSX-GDBMZVCRSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000043033234 179347113 /nfs/dbraw/zinc/34/71/13/179347113.db2.gz TXHOGZRDUGMUSX-ZBFHGGJFSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC(C)CC1 ZINC000043033236 179328334 /nfs/dbraw/zinc/32/83/34/179328334.db2.gz TXHOGZRDUGMUSX-GOEBONIOSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC(C)CC1 ZINC000043033239 179346519 /nfs/dbraw/zinc/34/65/19/179346519.db2.gz TXHOGZRDUGMUSX-HOCLYGCPSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+]1CCCC[C@@H]1C ZINC000043033326 179328304 /nfs/dbraw/zinc/32/83/04/179328304.db2.gz AEAWRESMEFTBBI-SQWLQELKSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+]1CCCC[C@@H]1C ZINC000043033330 179347806 /nfs/dbraw/zinc/34/78/06/179347806.db2.gz AEAWRESMEFTBBI-LZWOXQAQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+]1CCCC[C@@H]1C ZINC000043033333 179328472 /nfs/dbraw/zinc/32/84/72/179328472.db2.gz AEAWRESMEFTBBI-OFQRWUPVSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@H+]1CCCC[C@@H]1C ZINC000043033336 179347332 /nfs/dbraw/zinc/34/73/32/179347332.db2.gz AEAWRESMEFTBBI-DZKIICNBSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+]1CCC[C@H](C)C1 ZINC000043033408 179347768 /nfs/dbraw/zinc/34/77/68/179347768.db2.gz WVLKBRBIIHEVIV-BJJXKVORSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@H+]1CCC[C@H](C)C1 ZINC000043033414 179346915 /nfs/dbraw/zinc/34/69/15/179346915.db2.gz WVLKBRBIIHEVIV-NOLJZWGESA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)N)[N@@H+](C)C1CCCC1 ZINC000043034441 179328496 /nfs/dbraw/zinc/32/84/96/179328496.db2.gz NFUXQRMDHPIAPL-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+](C)C1CCCC1 ZINC000043034444 179346661 /nfs/dbraw/zinc/34/66/61/179346661.db2.gz NFUXQRMDHPIAPL-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+](C)C1CCCC1 ZINC000043034447 179327278 /nfs/dbraw/zinc/32/72/78/179327278.db2.gz NFUXQRMDHPIAPL-XJKSGUPXSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+](C)C1CCCC1 ZINC000043034450 179347365 /nfs/dbraw/zinc/34/73/65/179347365.db2.gz NFUXQRMDHPIAPL-BBRMVZONSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN(CC)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034462 169131085 /nfs/dbraw/zinc/13/10/85/169131085.db2.gz LUJGHIXOOQZFKH-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034462 169131082 /nfs/dbraw/zinc/13/10/82/169131082.db2.gz LUJGHIXOOQZFKH-UKRRQHHQSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(CC)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034466 169131592 /nfs/dbraw/zinc/13/15/92/169131592.db2.gz LUJGHIXOOQZFKH-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](CC)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043034466 169131588 /nfs/dbraw/zinc/13/15/88/169131588.db2.gz LUJGHIXOOQZFKH-HIFRSBDPSA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN([C@@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034485 169090615 /nfs/dbraw/zinc/09/06/15/169090615.db2.gz MIVNNBXGVUMZSQ-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@@H](c1ccccc1C)[C@@H](C)N)C1CC1 ZINC000043034485 169090614 /nfs/dbraw/zinc/09/06/14/169090614.db2.gz MIVNNBXGVUMZSQ-CZUORRHYSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN([C@H](c1ccccc1C)[C@@H](C)[NH3+])C1CC1 ZINC000043034488 169091505 /nfs/dbraw/zinc/09/15/05/169091505.db2.gz MIVNNBXGVUMZSQ-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CCC[N@@H+]([C@H](c1ccccc1C)[C@@H](C)N)C1CC1 ZINC000043034488 169091501 /nfs/dbraw/zinc/09/15/01/169091501.db2.gz MIVNNBXGVUMZSQ-CJNGLKHVSA-N 1 1 246.398 3.258 10 0 BGAEMO CCCN(C)[C@@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043034506 169085720 /nfs/dbraw/zinc/08/57/20/169085720.db2.gz XLZIDHDVZKNYML-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@@H](c1ccccc1C)[C@H](N)CC ZINC000043034506 169085719 /nfs/dbraw/zinc/08/57/19/169085719.db2.gz XLZIDHDVZKNYML-CABCVRRESA-N 1 1 234.387 3.115 10 0 BGAEMO CCCN(C)[C@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043034507 169087694 /nfs/dbraw/zinc/08/76/94/169087694.db2.gz XLZIDHDVZKNYML-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO CCC[N@@H+](C)[C@H](c1ccccc1C)[C@H](N)CC ZINC000043034507 169087691 /nfs/dbraw/zinc/08/76/91/169087691.db2.gz XLZIDHDVZKNYML-HUUCEWRRSA-N 1 1 234.387 3.115 10 0 BGAEMO CC[C@H](C)N(C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034536 171309144 /nfs/dbraw/zinc/30/91/44/171309144.db2.gz ZKINWFLMRNDJNF-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034536 171309138 /nfs/dbraw/zinc/30/91/38/171309138.db2.gz ZKINWFLMRNDJNF-GZBFAFLISA-N 1 1 234.387 3.114 10 0 BGAEMO CC[C@H](C)CN(C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034595 171273618 /nfs/dbraw/zinc/27/36/18/171273618.db2.gz WDQNNMDZYYJSAJ-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034595 171273612 /nfs/dbraw/zinc/27/36/12/171273612.db2.gz WDQNNMDZYYJSAJ-JGGQBBKZSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035023 179328262 /nfs/dbraw/zinc/32/82/62/179328262.db2.gz MGZKDISWNIJUTO-DVOMOZLQSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035027 179347553 /nfs/dbraw/zinc/34/75/53/179347553.db2.gz MGZKDISWNIJUTO-WWGRRREGSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035031 179329028 /nfs/dbraw/zinc/32/90/28/179329028.db2.gz MGZKDISWNIJUTO-HEHGZKQESA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043035034 179346590 /nfs/dbraw/zinc/34/65/90/179346590.db2.gz MGZKDISWNIJUTO-XEZPLFJOSA-N 1 1 246.398 3.114 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C(C)C ZINC000043035057 179347408 /nfs/dbraw/zinc/34/74/08/179347408.db2.gz MUOVUYOGOLKKPF-YCPHGPKFSA-N 1 1 248.414 3.360 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@H+](C)[C@@H](C)C(C)C ZINC000043035063 179347261 /nfs/dbraw/zinc/34/72/61/179347261.db2.gz MUOVUYOGOLKKPF-DZKIICNBSA-N 1 1 248.414 3.360 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CCC(C)C ZINC000043036245 179327515 /nfs/dbraw/zinc/32/75/15/179327515.db2.gz VBUFPIIUHSJOFD-GDBMZVCRSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+](C)CCC(C)C ZINC000043036245 179327512 /nfs/dbraw/zinc/32/75/12/179327512.db2.gz VBUFPIIUHSJOFD-GDBMZVCRSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CCC(C)C ZINC000043036247 179347147 /nfs/dbraw/zinc/34/71/47/179347147.db2.gz VBUFPIIUHSJOFD-ZBFHGGJFSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+](C)CCC(C)C ZINC000043036247 179347144 /nfs/dbraw/zinc/34/71/44/179347144.db2.gz VBUFPIIUHSJOFD-ZBFHGGJFSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CCC(C)C ZINC000043036250 179328158 /nfs/dbraw/zinc/32/81/58/179328158.db2.gz VBUFPIIUHSJOFD-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+](C)CCC(C)C ZINC000043036250 179328156 /nfs/dbraw/zinc/32/81/56/179328156.db2.gz VBUFPIIUHSJOFD-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CCC(C)C ZINC000043036253 179346943 /nfs/dbraw/zinc/34/69/43/179346943.db2.gz VBUFPIIUHSJOFD-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H]([C@H](C)N)[N@H+](C)CCC(C)C ZINC000043036253 179346938 /nfs/dbraw/zinc/34/69/38/179346938.db2.gz VBUFPIIUHSJOFD-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1cc(N[C@H]2CCc3ccccc32)nc(C)[nH+]1 ZINC000043533788 178189720 /nfs/dbraw/zinc/18/97/20/178189720.db2.gz PGTCIJFAEVUZBO-AWEZNQCLSA-N 1 1 239.322 3.193 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc2cccc(C)c2[nH]1 ZINC000043598521 169008476 /nfs/dbraw/zinc/00/84/76/169008476.db2.gz MBYBLTWLXDCZDM-JTQLQIEISA-N 1 1 217.316 3.061 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])c2c(F)cccc2Cl)o1 ZINC000043609617 178861367 /nfs/dbraw/zinc/86/13/67/178861367.db2.gz WQHGWMDQIVHIPQ-GFCCVEGCSA-N 1 1 239.677 3.429 10 0 BGAEMO Cc1ccc([C@H]([NH3+])c2cccc(Cl)c2)o1 ZINC000043619060 178909843 /nfs/dbraw/zinc/90/98/43/178909843.db2.gz XXQKSZQEWHVZMF-GFCCVEGCSA-N 1 1 221.687 3.290 10 0 BGAEMO CCCN[C@@H](C)C[N@@H+](CC)C1CCCCC1 ZINC000043804281 169274423 /nfs/dbraw/zinc/27/44/23/169274423.db2.gz NUOLOOPQNADIQP-ZDUSSCGKSA-N 1 1 226.408 3.029 10 0 BGAEMO CCCN[C@@H](C)C[N@H+](CC)C1CCCCC1 ZINC000043804281 169274421 /nfs/dbraw/zinc/27/44/21/169274421.db2.gz NUOLOOPQNADIQP-ZDUSSCGKSA-N 1 1 226.408 3.029 10 0 BGAEMO CCCN[C@H](C)C[N@@H+](CC)C1CCCCC1 ZINC000043804284 169285819 /nfs/dbraw/zinc/28/58/19/169285819.db2.gz NUOLOOPQNADIQP-CYBMUJFWSA-N 1 1 226.408 3.029 10 0 BGAEMO CCCN[C@H](C)C[N@H+](CC)C1CCCCC1 ZINC000043804284 169285817 /nfs/dbraw/zinc/28/58/17/169285817.db2.gz NUOLOOPQNADIQP-CYBMUJFWSA-N 1 1 226.408 3.029 10 0 BGAEMO CCc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000044116184 171835252 /nfs/dbraw/zinc/83/52/52/171835252.db2.gz WKVJDKYXOCRLTP-BBRMVZONSA-N 1 1 247.382 3.157 10 0 BGAEMO Cc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120461 178912498 /nfs/dbraw/zinc/91/24/98/178912498.db2.gz LMBVEGRQHGWWGU-MRXNPFEDSA-N 1 1 247.382 3.293 10 0 BGAEMO CCCC[N@@H+](C)C[C@H](O)c1ccc(C)cc1C ZINC000044122800 168777347 /nfs/dbraw/zinc/77/73/47/168777347.db2.gz GHHHSDOTMCNBJY-HNNXBMFYSA-N 1 1 235.371 3.069 10 0 BGAEMO CCCC[N@@H+](C)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044122816 168775042 /nfs/dbraw/zinc/77/50/42/168775042.db2.gz YPTRPGMCKUCHFK-OAHLLOKOSA-N 1 1 249.398 3.377 10 0 BGAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1O ZINC000044123409 344398279 /nfs/dbraw/zinc/39/82/79/344398279.db2.gz XOTILWYRJFVHAX-CVEARBPZSA-N 1 1 247.382 3.202 10 0 BGAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1O ZINC000044123414 344398259 /nfs/dbraw/zinc/39/82/59/344398259.db2.gz XOTILWYRJFVHAX-HOTGVXAUSA-N 1 1 247.382 3.202 10 0 BGAEMO CCCC[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1C ZINC000044124162 168800241 /nfs/dbraw/zinc/80/02/41/168800241.db2.gz XBRCAGJTFJFOTB-MRXNPFEDSA-N 1 1 249.398 3.459 10 0 BGAEMO CCC[N@@H+](C)C[C@H](O)c1ccc2ccccc2c1 ZINC000044127437 639653287 /nfs/dbraw/zinc/65/32/87/639653287.db2.gz CUKJTOHUIOBAGK-INIZCTEOSA-N 1 1 243.350 3.215 10 0 BGAEMO CCC[N@@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000044127439 639653038 /nfs/dbraw/zinc/65/30/38/639653038.db2.gz CUKJTOHUIOBAGK-MRXNPFEDSA-N 1 1 243.350 3.215 10 0 BGAEMO CC[N@@H+](C[C@H](O)c1cc2ccccc2o1)C(C)C ZINC000044128262 639652844 /nfs/dbraw/zinc/65/28/44/639652844.db2.gz ZCJHAYBFZVXPQZ-ZDUSSCGKSA-N 1 1 247.338 3.197 10 0 BGAEMO CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000044128845 171607478 /nfs/dbraw/zinc/60/74/78/171607478.db2.gz XUCXXCXXWNJNLG-HOTGVXAUSA-N 1 1 247.382 3.293 10 0 BGAEMO CC(C)C[N@@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000044129677 639653392 /nfs/dbraw/zinc/65/33/92/639653392.db2.gz YIOPQZWRRPBKHR-ZDUSSCGKSA-N 1 1 247.338 3.054 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2cc(C)on2)cc1 ZINC000044296215 171831223 /nfs/dbraw/zinc/83/12/23/171831223.db2.gz NARXQAWZFRHQER-GFCCVEGCSA-N 1 1 244.338 3.396 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2cc(C)on2)cc1 ZINC000044296219 384325772 /nfs/dbraw/zinc/32/57/72/384325772.db2.gz NARXQAWZFRHQER-LBPRGKRZSA-N 1 1 244.338 3.396 10 0 BGAEMO Cc1cc(C[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000044296243 178031306 /nfs/dbraw/zinc/03/13/06/178031306.db2.gz ZZSLQYQJQXZNAD-LBPRGKRZSA-N 1 1 230.311 3.142 10 0 BGAEMO C[C@@H](CCc1ccccc1)Nc1[nH+]cccc1N ZINC000044482531 345094926 /nfs/dbraw/zinc/09/49/26/345094926.db2.gz HZVALKJIXRPOBG-LBPRGKRZSA-N 1 1 241.338 3.097 10 0 BGAEMO C[C@H](CCc1ccccc1)Nc1[nH+]cccc1N ZINC000044482532 345095367 /nfs/dbraw/zinc/09/53/67/345095367.db2.gz HZVALKJIXRPOBG-GFCCVEGCSA-N 1 1 241.338 3.097 10 0 BGAEMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)cc2C)no1 ZINC000044692342 384351025 /nfs/dbraw/zinc/35/10/25/384351025.db2.gz XHHXQGLEGQONOV-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2C)no1 ZINC000044692344 384351913 /nfs/dbraw/zinc/35/19/13/384351913.db2.gz XHHXQGLEGQONOV-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)no1 ZINC000044692442 178038083 /nfs/dbraw/zinc/03/80/83/178038083.db2.gz BZLRJYJUEAFXHW-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)no1 ZINC000044692444 178031934 /nfs/dbraw/zinc/03/19/34/178031934.db2.gz BZLRJYJUEAFXHW-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1cc(C[NH2+][C@H](C)c2cccc(C)c2)no1 ZINC000044692957 368421997 /nfs/dbraw/zinc/42/19/97/368421997.db2.gz NPYOMGPMUBSVDJ-GFCCVEGCSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)no1 ZINC000044692959 368422349 /nfs/dbraw/zinc/42/23/49/368422349.db2.gz NPYOMGPMUBSVDJ-LBPRGKRZSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1cc([C@@H](C)Nc2[nH+]cccc2N)c(C)o1 ZINC000044729785 178234803 /nfs/dbraw/zinc/23/48/03/178234803.db2.gz LHEWGUVWLQFPBZ-SECBINFHSA-N 1 1 231.299 3.047 10 0 BGAEMO Cc1cc([C@H](C)Nc2[nH+]cccc2N)c(C)o1 ZINC000044729786 178259605 /nfs/dbraw/zinc/25/96/05/178259605.db2.gz LHEWGUVWLQFPBZ-VIFPVBQESA-N 1 1 231.299 3.047 10 0 BGAEMO CCC[C@H]([NH3+])c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000044978312 640479227 /nfs/dbraw/zinc/47/92/27/640479227.db2.gz SPZPQXFLIUURCJ-AXFHLTTASA-N 1 1 237.347 3.163 10 0 BGAEMO CCC[C@H]([NH3+])c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000044978318 640479266 /nfs/dbraw/zinc/47/92/66/640479266.db2.gz SPZPQXFLIUURCJ-DCAQKATOSA-N 1 1 237.347 3.163 10 0 BGAEMO CCC[C@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000044983097 640479250 /nfs/dbraw/zinc/47/92/50/640479250.db2.gz ZAGDMAMNRDZJQV-ILDUYXDCSA-N 1 1 237.347 3.163 10 0 BGAEMO CCC[C@@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000044983099 640479441 /nfs/dbraw/zinc/47/94/41/640479441.db2.gz ZAGDMAMNRDZJQV-VQXHTEKXSA-N 1 1 237.347 3.163 10 0 BGAEMO CCCN[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073278 169275350 /nfs/dbraw/zinc/27/53/50/169275350.db2.gz DKXJYRXHRYCHRX-DZGCQCFKSA-N 1 1 238.419 3.029 10 0 BGAEMO CCCN[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073278 169275348 /nfs/dbraw/zinc/27/53/48/169275348.db2.gz DKXJYRXHRYCHRX-DZGCQCFKSA-N 1 1 238.419 3.029 10 0 BGAEMO CCCN[C@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073279 169286013 /nfs/dbraw/zinc/28/60/13/169286013.db2.gz DKXJYRXHRYCHRX-UKRRQHHQSA-N 1 1 238.419 3.029 10 0 BGAEMO CCCN[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073279 169286010 /nfs/dbraw/zinc/28/60/10/169286010.db2.gz DKXJYRXHRYCHRX-UKRRQHHQSA-N 1 1 238.419 3.029 10 0 BGAEMO CC[C@H](C)[NH2+]CCN1CCC[C@@H]1C1CCCC1 ZINC000045089845 171340041 /nfs/dbraw/zinc/34/00/41/171340041.db2.gz SUCUTKNRPLAHKU-DZGCQCFKSA-N 1 1 238.419 3.029 10 0 BGAEMO CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089845 171340039 /nfs/dbraw/zinc/34/00/39/171340039.db2.gz SUCUTKNRPLAHKU-DZGCQCFKSA-N 1 1 238.419 3.029 10 0 BGAEMO Cc1ccc[nH+]c1NCCc1ccccc1 ZINC000048329929 188297212 /nfs/dbraw/zinc/29/72/12/188297212.db2.gz KBQICZPYAJTIOX-UHFFFAOYSA-N 1 1 212.296 3.045 10 0 BGAEMO Cc1ccc([C@@H](C)[N@H+]2Cc3cccc(N)c3C2)o1 ZINC000049224219 178834638 /nfs/dbraw/zinc/83/46/38/178834638.db2.gz FAUAFTVKJRZNNI-LLVKDONJSA-N 1 1 242.322 3.247 10 0 BGAEMO Cc1ccc([C@@H](C)[N@@H+]2Cc3cccc(N)c3C2)o1 ZINC000049224219 178834635 /nfs/dbraw/zinc/83/46/35/178834635.db2.gz FAUAFTVKJRZNNI-LLVKDONJSA-N 1 1 242.322 3.247 10 0 BGAEMO Cc1[nH+]ccn1CCNc1ccc(C)c(Cl)c1 ZINC000049329709 178760518 /nfs/dbraw/zinc/76/05/18/178760518.db2.gz HRTPBEMMFXCEAK-UHFFFAOYSA-N 1 1 249.745 3.265 10 0 BGAEMO CSc1ccc(NCCn2cc[nH+]c2C)cc1 ZINC000049329773 187435388 /nfs/dbraw/zinc/43/53/88/187435388.db2.gz VSOQRPYRPVIQLY-UHFFFAOYSA-N 1 1 247.367 3.026 10 0 BGAEMO Cc1[nH+]ccn1CCNc1ccccc1C(C)C ZINC000049329784 180262468 /nfs/dbraw/zinc/26/24/68/180262468.db2.gz PUCAWNFEINTSMZ-UHFFFAOYSA-N 1 1 243.354 3.427 10 0 BGAEMO Cc1[nH+]ccn1CCNc1ccc(C(C)C)cc1 ZINC000049329819 180263513 /nfs/dbraw/zinc/26/35/13/180263513.db2.gz ZYOSLGGVHLGDMS-UHFFFAOYSA-N 1 1 243.354 3.427 10 0 BGAEMO Cc1[nH+]ccn1CCNc1cccc(C(C)C)c1 ZINC000049330004 180262087 /nfs/dbraw/zinc/26/20/87/180262087.db2.gz KBLIKVOGMTYYAR-UHFFFAOYSA-N 1 1 243.354 3.427 10 0 BGAEMO C[C@H](Nc1[nH+]cccc1N)c1cccc(Cl)c1 ZINC000049515266 176940111 /nfs/dbraw/zinc/94/01/11/176940111.db2.gz XLOHAFCOXGDLIO-VIFPVBQESA-N 1 1 247.729 3.490 10 0 BGAEMO Cc1ccccc1[C@@H](C)Nc1ccc(N)[nH+]c1 ZINC000049525312 179323369 /nfs/dbraw/zinc/32/33/69/179323369.db2.gz GUEHIXDVPAQTCI-LLVKDONJSA-N 1 1 227.311 3.145 10 0 BGAEMO Cc1ccccc1[C@H](C)Nc1ccc(N)[nH+]c1 ZINC000049525313 179340606 /nfs/dbraw/zinc/34/06/06/179340606.db2.gz GUEHIXDVPAQTCI-NSHDSACASA-N 1 1 227.311 3.145 10 0 BGAEMO Cc1ccccc1[C@@H](C)Nc1ccc(N)c[nH+]1 ZINC000049525414 179322511 /nfs/dbraw/zinc/32/25/11/179322511.db2.gz JSDFMINLRLUMLH-LLVKDONJSA-N 1 1 227.311 3.145 10 0 BGAEMO Cc1ccccc1[C@H](C)Nc1ccc(N)c[nH+]1 ZINC000049525415 179340677 /nfs/dbraw/zinc/34/06/77/179340677.db2.gz JSDFMINLRLUMLH-NSHDSACASA-N 1 1 227.311 3.145 10 0 BGAEMO CC[NH2+]C1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000049526076 170109700 /nfs/dbraw/zinc/10/97/00/170109700.db2.gz BIJOJNODNVZIHW-AWEZNQCLSA-N 1 1 246.398 3.130 10 0 BGAEMO CC[NH2+]C1CCN([C@H](C)c2ccccc2C)CC1 ZINC000049526077 170109136 /nfs/dbraw/zinc/10/91/36/170109136.db2.gz BIJOJNODNVZIHW-CQSZACIVSA-N 1 1 246.398 3.130 10 0 BGAEMO CC[C@@H](Nc1ccc(N)[nH+]c1)c1cccs1 ZINC000049529158 170915566 /nfs/dbraw/zinc/91/55/66/170915566.db2.gz KHQPZYARFIDHJK-SNVBAGLBSA-N 1 1 233.340 3.289 10 0 BGAEMO C[C@@H](CCN(C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049553441 387785024 /nfs/dbraw/zinc/78/50/24/387785024.db2.gz KHUMBXLSVKVVIW-RDBSUJKOSA-N 1 1 240.435 3.131 10 0 BGAEMO C[C@@H](CCN(C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000049553443 176377262 /nfs/dbraw/zinc/37/72/62/176377262.db2.gz KHUMBXLSVKVVIW-HZSPNIEDSA-N 1 1 240.435 3.131 10 0 BGAEMO CC[C@@H]1CC[N@H+](C2CCCCCCC2)CCN1 ZINC000049661024 171010118 /nfs/dbraw/zinc/01/01/18/171010118.db2.gz URHAXWXJMPTTHO-CQSZACIVSA-N 1 1 238.419 3.173 10 0 BGAEMO CC[C@@H]1CCN(CCC2CCCCC2)CC[NH2+]1 ZINC000049662264 171011640 /nfs/dbraw/zinc/01/16/40/171011640.db2.gz PCCZZEUFAKPORF-OAHLLOKOSA-N 1 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248.414 3.424 10 0 BGAEMO CCCN([C@@H](C[NH3+])c1cc(C)ccc1C)C1CC1 ZINC000049670413 169089832 /nfs/dbraw/zinc/08/98/32/169089832.db2.gz ATWVESLBDVLFTO-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+]([C@@H](CN)c1cc(C)ccc1C)C1CC1 ZINC000049670413 169089829 /nfs/dbraw/zinc/08/98/29/169089829.db2.gz ATWVESLBDVLFTO-INIZCTEOSA-N 1 1 246.398 3.178 10 0 BGAEMO CCCN([C@H](C[NH3+])c1cc(C)ccc1C)C1CC1 ZINC000049670414 169091353 /nfs/dbraw/zinc/09/13/53/169091353.db2.gz ATWVESLBDVLFTO-MRXNPFEDSA-N 1 1 246.398 3.178 10 0 BGAEMO CCC[N@@H+]([C@H](CN)c1cc(C)ccc1C)C1CC1 ZINC000049670414 169091352 /nfs/dbraw/zinc/09/13/52/169091352.db2.gz ATWVESLBDVLFTO-MRXNPFEDSA-N 1 1 246.398 3.178 10 0 BGAEMO CC[C@H](C)N(C)[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000049670420 171309179 /nfs/dbraw/zinc/30/91/79/171309179.db2.gz KVMYJNSOIGYOQZ-ZFWWWQNUSA-N 1 1 234.387 3.034 10 0 BGAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670420 171309177 /nfs/dbraw/zinc/30/91/77/171309177.db2.gz KVMYJNSOIGYOQZ-ZFWWWQNUSA-N 1 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/nfs/dbraw/zinc/31/69/19/179316919.db2.gz GUDFSECLJIOZMQ-QWHCGFSZSA-N 1 1 231.339 3.109 10 0 BGAEMO Cc1ccccc1[C@H](C)[N@H+]1CCC(=O)C[C@@H]1C ZINC000049713914 179333889 /nfs/dbraw/zinc/33/38/89/179333889.db2.gz GUDFSECLJIOZMQ-STQMWFEESA-N 1 1 231.339 3.109 10 0 BGAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000049715133 384561576 /nfs/dbraw/zinc/56/15/76/384561576.db2.gz ROPQZXCIPVVPJZ-GFCCVEGCSA-N 1 1 243.354 3.384 10 0 BGAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1 ZINC000049715134 384561616 /nfs/dbraw/zinc/56/16/16/384561616.db2.gz ROPQZXCIPVVPJZ-LBPRGKRZSA-N 1 1 243.354 3.384 10 0 BGAEMO c1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1C3)CCCN2 ZINC000049717023 183367664 /nfs/dbraw/zinc/36/76/64/183367664.db2.gz JBURWLLCXOHIDQ-DZGCQCFKSA-N 1 1 242.366 3.029 10 0 BGAEMO C[C@@H](c1cccs1)[N@@H+](C)C1(CN)CCCC1 ZINC000049726267 176033501 /nfs/dbraw/zinc/03/35/01/176033501.db2.gz MRDZGAXZZHLHNQ-NSHDSACASA-N 1 1 238.400 3.012 10 0 BGAEMO C[C@@H](c1cccs1)[N@H+](C)C1(CN)CCCC1 ZINC000049726267 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/nfs/dbraw/zinc/64/69/68/344646968.db2.gz MSEHPYCSCHMESK-AWEZNQCLSA-N 1 1 231.339 3.020 10 0 BGAEMO CCCC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000050184287 343610527 /nfs/dbraw/zinc/61/05/27/343610527.db2.gz ITQSRGJCGIMUTQ-UHFFFAOYSA-N 1 1 233.355 3.266 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272368 176079213 /nfs/dbraw/zinc/07/92/13/176079213.db2.gz PHJIPLVDTUBPJD-SNPRPXQTSA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272369 177080554 /nfs/dbraw/zinc/08/05/54/177080554.db2.gz PHJIPLVDTUBPJD-QEJZJMRPSA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272370 176086554 /nfs/dbraw/zinc/08/65/54/176086554.db2.gz PHJIPLVDTUBPJD-YUELXQCFSA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272371 177087168 /nfs/dbraw/zinc/08/71/68/177087168.db2.gz PHJIPLVDTUBPJD-CFVMTHIKSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[C@H](C)C[N@@H+](CC)C1(CN)CCC(C)CC1 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CC[NH2+]C[C@H](C(C)C)N(CC)C1CCCCC1 ZINC000052419977 170120967 /nfs/dbraw/zinc/12/09/67/170120967.db2.gz GDOFPVXXTBTUGA-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CCNC[C@H](C(C)C)[N@@H+](CC)C1CCCCC1 ZINC000052419977 170120966 /nfs/dbraw/zinc/12/09/66/170120966.db2.gz GDOFPVXXTBTUGA-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CCC[NH2+]C[C@@H](C)CN(C)Cc1ccc(C)cc1 ZINC000052424589 169261794 /nfs/dbraw/zinc/26/17/94/169261794.db2.gz TYKCDIFDWVMUSE-OAHLLOKOSA-N 1 1 248.414 3.063 10 0 BGAEMO CCC[NH2+]C[C@H](C)CN(C)Cc1ccc(C)cc1 ZINC000052424590 169263955 /nfs/dbraw/zinc/26/39/55/169263955.db2.gz TYKCDIFDWVMUSE-HNNXBMFYSA-N 1 1 248.414 3.063 10 0 BGAEMO CC(C)NC[C@H](C(C)C)[NH+]1CCCCCCC1 ZINC000052424812 167112776 /nfs/dbraw/zinc/11/27/76/167112776.db2.gz QQTCCESDVVXBEB-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CC(C)NC[C@@H](C(C)C)[NH+]1CCCCCCC1 ZINC000052424813 167109058 /nfs/dbraw/zinc/10/90/58/167109058.db2.gz QQTCCESDVVXBEB-HNNXBMFYSA-N 1 1 240.435 3.275 10 0 BGAEMO CC[C@H](C)[N@@H+](C)Cc1c2ccccc2oc1CN ZINC000052444091 171308537 /nfs/dbraw/zinc/30/85/37/171308537.db2.gz ANWXMAIJVONWQL-NSHDSACASA-N 1 1 246.354 3.122 10 0 BGAEMO CC[C@H](C)[N@H+](C)Cc1c2ccccc2oc1CN ZINC000052444091 171308536 /nfs/dbraw/zinc/30/85/36/171308536.db2.gz ANWXMAIJVONWQL-NSHDSACASA-N 1 1 246.354 3.122 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CNCC(C)C)C(C)C ZINC000052450776 171312504 /nfs/dbraw/zinc/31/25/04/171312504.db2.gz HSMGLZBMVBZMNI-GJZGRUSLSA-N 1 1 242.451 3.377 10 0 BGAEMO CC[C@H](C)[N@H+](CC)[C@@H](CNCC(C)C)C(C)C ZINC000052450776 171312501 /nfs/dbraw/zinc/31/25/01/171312501.db2.gz HSMGLZBMVBZMNI-GJZGRUSLSA-N 1 1 242.451 3.377 10 0 BGAEMO CCCNC[C@@H](C(C)C)[N@@H+](CC)C1CCCC1 ZINC000052457533 169261496 /nfs/dbraw/zinc/26/14/96/169261496.db2.gz OFAVBDAHAQOASE-HNNXBMFYSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@@H](C(C)C)[N@H+](CC)C1CCCC1 ZINC000052457533 169261495 /nfs/dbraw/zinc/26/14/95/169261495.db2.gz OFAVBDAHAQOASE-HNNXBMFYSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@H](C(C)C)[N@@H+](CC)C1CCCC1 ZINC000052457535 169263877 /nfs/dbraw/zinc/26/38/77/169263877.db2.gz OFAVBDAHAQOASE-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@H](C(C)C)[N@H+](CC)C1CCCC1 ZINC000052457535 169263876 /nfs/dbraw/zinc/26/38/76/169263876.db2.gz OFAVBDAHAQOASE-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CC(C)[C@@H](CNC(C)(C)C)[N@@H+](C)[C@@H](C)C1CC1 ZINC000052478960 167398940 /nfs/dbraw/zinc/39/89/40/167398940.db2.gz MMYTVMVULQELJG-GXTWGEPZSA-N 1 1 240.435 3.129 10 0 BGAEMO CC(C)[C@@H](CNC(C)(C)C)[N@H+](C)[C@@H](C)C1CC1 ZINC000052478960 167398935 /nfs/dbraw/zinc/39/89/35/167398935.db2.gz MMYTVMVULQELJG-GXTWGEPZSA-N 1 1 240.435 3.129 10 0 BGAEMO CC(C)[C@H](CNC(C)(C)C)[N@@H+](C)[C@@H](C)C1CC1 ZINC000052478961 187271013 /nfs/dbraw/zinc/27/10/13/187271013.db2.gz MMYTVMVULQELJG-JSGCOSHPSA-N 1 1 240.435 3.129 10 0 BGAEMO CC(C)[C@H](CNC(C)(C)C)[N@H+](C)[C@@H](C)C1CC1 ZINC000052478961 187271011 /nfs/dbraw/zinc/27/10/11/187271011.db2.gz MMYTVMVULQELJG-JSGCOSHPSA-N 1 1 240.435 3.129 10 0 BGAEMO CCC[NH2+]C[C@@H](CC)N(CC(C)C)CC(C)C ZINC000052484847 169262650 /nfs/dbraw/zinc/26/26/50/169262650.db2.gz MZCFIEYLAQJOEH-OAHLLOKOSA-N 1 1 242.451 3.379 10 0 BGAEMO CCC[NH2+]C[C@H](CC)N(CC(C)C)CC(C)C ZINC000052484848 169264040 /nfs/dbraw/zinc/26/40/40/169264040.db2.gz MZCFIEYLAQJOEH-HNNXBMFYSA-N 1 1 242.451 3.379 10 0 BGAEMO CC(C)NC[C@H](C(C)C)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504235 167113701 /nfs/dbraw/zinc/11/37/01/167113701.db2.gz MYJPGRUXAKMHIB-UONOGXRCSA-N 1 1 242.451 3.375 10 0 BGAEMO CC(C)NC[C@H](C(C)C)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504235 167113698 /nfs/dbraw/zinc/11/36/98/167113698.db2.gz MYJPGRUXAKMHIB-UONOGXRCSA-N 1 1 242.451 3.375 10 0 BGAEMO CC(C)NC[C@@H](C(C)C)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504236 167108357 /nfs/dbraw/zinc/10/83/57/167108357.db2.gz MYJPGRUXAKMHIB-KBPBESRZSA-N 1 1 242.451 3.375 10 0 BGAEMO CC(C)NC[C@@H](C(C)C)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504236 167108356 /nfs/dbraw/zinc/10/83/56/167108356.db2.gz 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NPKHXMBUBQSCDJ-OAHLLOKOSA-N 1 1 240.435 3.133 10 0 BGAEMO CCC[N@@H+](CC1CC1)[C@@H](CC)CNCC(C)C ZINC000052514398 169138265 /nfs/dbraw/zinc/13/82/65/169138265.db2.gz GAHYRFWXYKBSNZ-HNNXBMFYSA-N 1 1 240.435 3.133 10 0 BGAEMO CCC[N@H+](CC1CC1)[C@@H](CC)CNCC(C)C ZINC000052514398 169138262 /nfs/dbraw/zinc/13/82/62/169138262.db2.gz GAHYRFWXYKBSNZ-HNNXBMFYSA-N 1 1 240.435 3.133 10 0 BGAEMO CCC[N@@H+](CC1CC1)[C@H](CC)CNCC(C)C ZINC000052514401 169138589 /nfs/dbraw/zinc/13/85/89/169138589.db2.gz GAHYRFWXYKBSNZ-OAHLLOKOSA-N 1 1 240.435 3.133 10 0 BGAEMO CCC[N@H+](CC1CC1)[C@H](CC)CNCC(C)C ZINC000052514401 169138588 /nfs/dbraw/zinc/13/85/88/169138588.db2.gz GAHYRFWXYKBSNZ-OAHLLOKOSA-N 1 1 240.435 3.133 10 0 BGAEMO CCC[NH2+]C[C@@H](C)N1CCC[C@@H]1C1CCCC1 ZINC000052517399 169261145 /nfs/dbraw/zinc/26/11/45/169261145.db2.gz CQAFBFMEMMGFSZ-UKRRQHHQSA-N 1 1 238.419 3.029 10 0 BGAEMO CCC[NH2+]C[C@H](C)N1CCC[C@@H]1C1CCCC1 ZINC000052517401 169263202 /nfs/dbraw/zinc/26/32/02/169263202.db2.gz CQAFBFMEMMGFSZ-DZGCQCFKSA-N 1 1 238.419 3.029 10 0 BGAEMO CCC(CC)CN(CC)[C@@H](CC)C[NH2+]C1CC1 ZINC000052540619 168351289 /nfs/dbraw/zinc/35/12/89/168351289.db2.gz USHVOYHNCYBUMH-HNNXBMFYSA-N 1 1 240.435 3.275 10 0 BGAEMO CCC(CC)C[N@@H+](CC)[C@@H](CC)CNC1CC1 ZINC000052540619 168351287 /nfs/dbraw/zinc/35/12/87/168351287.db2.gz USHVOYHNCYBUMH-HNNXBMFYSA-N 1 1 240.435 3.275 10 0 BGAEMO CCC(CC)CN(CC)[C@H](CC)C[NH2+]C1CC1 ZINC000052540620 168350581 /nfs/dbraw/zinc/35/05/81/168350581.db2.gz USHVOYHNCYBUMH-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CCC(CC)C[N@@H+](CC)[C@H](CC)CNC1CC1 ZINC000052540620 168350579 /nfs/dbraw/zinc/35/05/79/168350579.db2.gz USHVOYHNCYBUMH-OAHLLOKOSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@@H](CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546559 169262360 /nfs/dbraw/zinc/26/23/60/169262360.db2.gz GHSZTIXDLXSHRR-RRFJBIMHSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@@H](CC)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546559 169262359 /nfs/dbraw/zinc/26/23/59/169262359.db2.gz GHSZTIXDLXSHRR-RRFJBIMHSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@H](CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546560 169263723 /nfs/dbraw/zinc/26/37/23/169263723.db2.gz GHSZTIXDLXSHRR-SOUVJXGZSA-N 1 1 240.435 3.275 10 0 BGAEMO CCCNC[C@H](CC)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546560 169263721 /nfs/dbraw/zinc/26/37/21/169263721.db2.gz GHSZTIXDLXSHRR-SOUVJXGZSA-N 1 1 240.435 3.275 10 0 BGAEMO Cc1ccccc1CN(C)C[C@@H](C)C[NH2+]C(C)C ZINC000052547049 179270806 /nfs/dbraw/zinc/27/08/06/179270806.db2.gz WHJKCVDBZGPJKS-AWEZNQCLSA-N 1 1 248.414 3.061 10 0 BGAEMO Cc1ccccc1CN(C)C[C@H](C)C[NH2+]C(C)C ZINC000052547050 179270380 /nfs/dbraw/zinc/27/03/80/179270380.db2.gz WHJKCVDBZGPJKS-CQSZACIVSA-N 1 1 248.414 3.061 10 0 BGAEMO CCC[NH2+]C[C@@H](C(C)C)N(CC(C)C)C(C)C ZINC000052572480 169261699 /nfs/dbraw/zinc/26/16/99/169261699.db2.gz PTZKZEFEYIZFKT-HNNXBMFYSA-N 1 1 242.451 3.377 10 0 BGAEMO CCCNC[C@@H](C(C)C)[N@@H+](CC(C)C)C(C)C ZINC000052572480 169261698 /nfs/dbraw/zinc/26/16/98/169261698.db2.gz PTZKZEFEYIZFKT-HNNXBMFYSA-N 1 1 242.451 3.377 10 0 BGAEMO CCC[NH2+]C[C@H](C(C)C)N(CC(C)C)C(C)C ZINC000052572481 169263075 /nfs/dbraw/zinc/26/30/75/169263075.db2.gz PTZKZEFEYIZFKT-OAHLLOKOSA-N 1 1 242.451 3.377 10 0 BGAEMO CCCNC[C@H](C(C)C)[N@@H+](CC(C)C)C(C)C ZINC000052572481 169263074 /nfs/dbraw/zinc/26/30/74/169263074.db2.gz PTZKZEFEYIZFKT-OAHLLOKOSA-N 1 1 242.451 3.377 10 0 BGAEMO CCCNc1ncccc1C[N@H+]1CCC[C@@H]1CC ZINC000052709401 169296431 /nfs/dbraw/zinc/29/64/31/169296431.db2.gz MEACLAOGFINKNA-AWEZNQCLSA-N 1 1 247.386 3.278 10 0 BGAEMO CCCNc1ncccc1C[N@H+]1CCC[C@H]1CC ZINC000052709402 169296922 /nfs/dbraw/zinc/29/69/22/169296922.db2.gz MEACLAOGFINKNA-CQSZACIVSA-N 1 1 247.386 3.278 10 0 BGAEMO CCCNc1ncccc1C[N@H+]1CCCC[C@@H]1C ZINC000052709789 169297228 /nfs/dbraw/zinc/29/72/28/169297228.db2.gz RFLVJXAXGABDMB-ZDUSSCGKSA-N 1 1 247.386 3.278 10 0 BGAEMO CCCNc1ncccc1C[N@H+]1CCCC[C@H]1C ZINC000052709790 169296529 /nfs/dbraw/zinc/29/65/29/169296529.db2.gz RFLVJXAXGABDMB-CYBMUJFWSA-N 1 1 247.386 3.278 10 0 BGAEMO CCNc1ncccc1C[N@@H+](C)C1CCCCC1 ZINC000052717020 170178451 /nfs/dbraw/zinc/17/84/51/170178451.db2.gz YWIMMMPHCYORRW-UHFFFAOYSA-N 1 1 247.386 3.278 10 0 BGAEMO CCNc1ncccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000052717098 170177941 /nfs/dbraw/zinc/17/79/41/170177941.db2.gz KNEQGJGKVGBAQY-BETUJISGSA-N 1 1 247.386 3.276 10 0 BGAEMO CCNc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccn1 ZINC000052717134 170171905 /nfs/dbraw/zinc/17/19/05/170171905.db2.gz KGVLIXMXXYOJCY-BETUJISGSA-N 1 1 247.386 3.276 10 0 BGAEMO CCCNc1ncccc1C[N@@H+](CC)C(C)C ZINC000052719186 169296508 /nfs/dbraw/zinc/29/65/08/169296508.db2.gz HNFMLMZOOZGNRE-UHFFFAOYSA-N 1 1 235.375 3.134 10 0 BGAEMO CCCNc1cc(C[N@@H+](CC)C(C)C)ccn1 ZINC000052719231 169293589 /nfs/dbraw/zinc/29/35/89/169293589.db2.gz BJDZYOOWDKIQSS-UHFFFAOYSA-N 1 1 235.375 3.134 10 0 BGAEMO CCCNc1cc(C[N@@H+](CC)CCC)ccn1 ZINC000052719306 169293934 /nfs/dbraw/zinc/29/39/34/169293934.db2.gz FHGFPNRJTCHVEB-UHFFFAOYSA-N 1 1 235.375 3.135 10 0 BGAEMO CCC[N@@H+](Cc1cccnc1NCC)C(C)C ZINC000052719731 169178354 /nfs/dbraw/zinc/17/83/54/169178354.db2.gz FEKKFYYEZDEFBB-UHFFFAOYSA-N 1 1 235.375 3.134 10 0 BGAEMO CCNc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccn1 ZINC000052722562 170172034 /nfs/dbraw/zinc/17/20/34/170172034.db2.gz HWBYWUVMFQQOFY-STQMWFEESA-N 1 1 247.386 3.134 10 0 BGAEMO CCNc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccn1 ZINC000052722566 170172103 /nfs/dbraw/zinc/17/21/03/170172103.db2.gz HWBYWUVMFQQOFY-OLZOCXBDSA-N 1 1 247.386 3.134 10 0 BGAEMO CCNc1ncccc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052723970 170178454 /nfs/dbraw/zinc/17/84/54/170178454.db2.gz FSWJTCSUCMLGQM-LBPRGKRZSA-N 1 1 249.402 3.380 10 0 BGAEMO CCNc1ncccc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052723974 170178353 /nfs/dbraw/zinc/17/83/53/170178353.db2.gz FSWJTCSUCMLGQM-GFCCVEGCSA-N 1 1 249.402 3.380 10 0 BGAEMO CNc1cc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)ccn1 ZINC000052725423 173473223 /nfs/dbraw/zinc/47/32/23/173473223.db2.gz KYXFHDQEGRPSMY-GXTWGEPZSA-N 1 1 247.386 3.134 10 0 BGAEMO CCNc1ncccc1C[N@@H+](CC1CC1)C(C)C ZINC000052730354 170178186 /nfs/dbraw/zinc/17/81/86/170178186.db2.gz CTRCAQRCJXWJRR-UHFFFAOYSA-N 1 1 247.386 3.134 10 0 BGAEMO CCNc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)ccn1 ZINC000052731793 170172250 /nfs/dbraw/zinc/17/22/50/170172250.db2.gz UAKYQSGINRRTIZ-STQMWFEESA-N 1 1 247.386 3.134 10 0 BGAEMO CCNc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)ccn1 ZINC000052731797 170172364 /nfs/dbraw/zinc/17/23/64/170172364.db2.gz UAKYQSGINRRTIZ-OLZOCXBDSA-N 1 1 247.386 3.134 10 0 BGAEMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762115 134711841 /nfs/dbraw/zinc/71/18/41/134711841.db2.gz VSWRZOBOSYZVPZ-MRXNPFEDSA-N 1 1 247.382 3.040 10 0 BGAEMO Cc1cc(C)cc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052762116 358792123 /nfs/dbraw/zinc/79/21/23/358792123.db2.gz VSWRZOBOSYZVPZ-INIZCTEOSA-N 1 1 247.382 3.040 10 0 BGAEMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762359 358792236 /nfs/dbraw/zinc/79/22/36/358792236.db2.gz AKZKNCXYZLNJBI-MRXNPFEDSA-N 1 1 247.382 3.040 10 0 BGAEMO 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ZINC000052813475 179294980 /nfs/dbraw/zinc/29/49/80/179294980.db2.gz YPXRDIKLSQZULF-UHFFFAOYSA-N 1 1 227.311 3.049 10 0 BGAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccccc1F ZINC000052842301 180082349 /nfs/dbraw/zinc/08/23/49/180082349.db2.gz JJHRXTOKYQUJAE-UHFFFAOYSA-N 1 1 241.269 3.055 10 0 BGAEMO Cc1[nH+]c2cc(N)ccc2n1-c1ccc(C)cc1 ZINC000052842503 178346125 /nfs/dbraw/zinc/34/61/25/178346125.db2.gz GHYOZNKPIAAHRV-UHFFFAOYSA-N 1 1 237.306 3.225 10 0 BGAEMO CCCCn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000052852262 169034283 /nfs/dbraw/zinc/03/42/83/169034283.db2.gz IWOWWBRWXAJYSB-UHFFFAOYSA-N 1 1 229.327 3.296 10 0 BGAEMO CC(C)C[C@H](C)n1c[nH+]c2cc(N)ccc21 ZINC000052852584 187271459 /nfs/dbraw/zinc/27/14/59/187271459.db2.gz OFHUIDPBGITVRT-JTQLQIEISA-N 1 1 217.316 3.226 10 0 BGAEMO C[C@@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052852780 176033768 /nfs/dbraw/zinc/03/37/68/176033768.db2.gz ZQEBCUNDHUQECP-VIFPVBQESA-N 1 1 243.335 3.289 10 0 BGAEMO C[C@H](c1cccs1)n1c[nH+]c2cc(N)ccc21 ZINC000052852781 177049836 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177086405 /nfs/dbraw/zinc/08/64/05/177086405.db2.gz LRKNGVMMTMNQBA-RYUDHWBXSA-N 1 1 243.354 3.445 10 0 BGAEMO CC[C@H](C)[C@@H](C)n1c[nH+]c2cc(N)ccc21 ZINC000052853926 171367741 /nfs/dbraw/zinc/36/77/41/171367741.db2.gz PHZDUGQFIKLVND-VHSXEESVSA-N 1 1 217.316 3.226 10 0 BGAEMO CC[C@H](C)[C@H](C)n1c[nH+]c2cc(N)ccc21 ZINC000052853930 171392226 /nfs/dbraw/zinc/39/22/26/171392226.db2.gz PHZDUGQFIKLVND-UWVGGRQHSA-N 1 1 217.316 3.226 10 0 BGAEMO CC[C@@H](C(C)C)n1c[nH+]c2cc(N)ccc21 ZINC000052854031 170674506 /nfs/dbraw/zinc/67/45/06/170674506.db2.gz LDMGEBVMMCXVLW-LBPRGKRZSA-N 1 1 217.316 3.226 10 0 BGAEMO CC[C@H](C(C)C)n1c[nH+]c2cc(N)ccc21 ZINC000052854033 171243391 /nfs/dbraw/zinc/24/33/91/171243391.db2.gz LDMGEBVMMCXVLW-GFCCVEGCSA-N 1 1 217.316 3.226 10 0 BGAEMO C[NH2+][C@@H](c1ccc(C)o1)c1cc(C)ccc1F ZINC000052982713 173427962 /nfs/dbraw/zinc/42/79/62/173427962.db2.gz QXCNOOIJOZXHQS-CQSZACIVSA-N 1 1 233.286 3.344 10 0 BGAEMO Nc1[nH+]cc(Cc2ccccc2)c2ccccc12 ZINC000053277451 368331598 /nfs/dbraw/zinc/33/15/98/368331598.db2.gz NUPSDJAQBLLBGS-UHFFFAOYSA-N 1 1 234.302 3.408 10 0 BGAEMO Cc1ccccc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000053343407 179304929 /nfs/dbraw/zinc/30/49/29/179304929.db2.gz DFHPBWWZDZZHKV-AWEZNQCLSA-N 1 1 232.371 3.281 10 0 BGAEMO Cc1ccccc1NCC[N@@H+]1CCCC[C@H]1C ZINC000053343408 179304859 /nfs/dbraw/zinc/30/48/59/179304859.db2.gz DFHPBWWZDZZHKV-CQSZACIVSA-N 1 1 232.371 3.281 10 0 BGAEMO Cc1ccccc1NCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053344470 179305231 /nfs/dbraw/zinc/30/52/31/179305231.db2.gz VXOCUCYZTMNWLM-OKILXGFUSA-N 1 1 246.398 3.385 10 0 BGAEMO C[N@@H+](CCNc1ccccc1F)C1CCCC1 ZINC000053376880 172747085 /nfs/dbraw/zinc/74/70/85/172747085.db2.gz ZPPUCMRDCLWFLJ-UHFFFAOYSA-N 1 1 236.334 3.112 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)CCNc1ccccc1F ZINC000053377862 171311733 /nfs/dbraw/zinc/31/17/33/171311733.db2.gz CQGRJTXVBPTXQQ-LBPRGKRZSA-N 1 1 238.350 3.358 10 0 BGAEMO CCC[N@@H+](CCNc1ccccc1F)C1CC1 ZINC000053378206 169159043 /nfs/dbraw/zinc/15/90/43/169159043.db2.gz WZXHEHCAOMHPDP-UHFFFAOYSA-N 1 1 236.334 3.112 10 0 BGAEMO CCC[N@@H+](CCNc1ccccc1F)C(C)C ZINC000053378434 169159906 /nfs/dbraw/zinc/15/99/06/169159906.db2.gz ZNENMGXXWILACM-UHFFFAOYSA-N 1 1 238.350 3.358 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)CCNc1ccccc1F ZINC000053379956 171272373 /nfs/dbraw/zinc/27/23/73/171272373.db2.gz JRYLCZJGEYEPGP-LBPRGKRZSA-N 1 1 238.350 3.216 10 0 BGAEMO Cc1ccccc1NCC[N@H+](C)[C@@H](C)C1CC1 ZINC000053384131 179305077 /nfs/dbraw/zinc/30/50/77/179305077.db2.gz NBFMDOHDWTZEGQ-ZDUSSCGKSA-N 1 1 232.371 3.137 10 0 BGAEMO Cc1ccccc1NCC[N@H+](C)[C@H](C)C1CC1 ZINC000053384133 179304805 /nfs/dbraw/zinc/30/48/05/179304805.db2.gz NBFMDOHDWTZEGQ-CYBMUJFWSA-N 1 1 232.371 3.137 10 0 BGAEMO Cc1ccc(NCC[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000053384594 178758762 /nfs/dbraw/zinc/75/87/62/178758762.db2.gz DDOOCZWLVBSJSF-CQSZACIVSA-N 1 1 234.387 3.383 10 0 BGAEMO Cc1ccccc1NCC[N@H+](C)[C@@H](C)C(C)C ZINC000053384643 179305069 /nfs/dbraw/zinc/30/50/69/179305069.db2.gz RLRNEDRNHZPJDJ-AWEZNQCLSA-N 1 1 234.387 3.383 10 0 BGAEMO Cc1ccccc1NCC[N@H+](C)[C@H](C)C(C)C ZINC000053384645 179304291 /nfs/dbraw/zinc/30/42/91/179304291.db2.gz RLRNEDRNHZPJDJ-CQSZACIVSA-N 1 1 234.387 3.383 10 0 BGAEMO CCC(C)(C)NCC[NH+](CC(C)C)CC(C)C ZINC000053389828 168297350 /nfs/dbraw/zinc/29/73/50/168297350.db2.gz FJVVAXHPNSQNDQ-UHFFFAOYSA-N 1 1 242.451 3.379 10 0 BGAEMO Cc1cccc(NCC[N@H+](C)CC(C)(C)C)c1 ZINC000053440613 179144981 /nfs/dbraw/zinc/14/49/81/179144981.db2.gz QHJNYNLORIUYRW-UHFFFAOYSA-N 1 1 234.387 3.385 10 0 BGAEMO CCC(CC)[NH2+]C[C@@H](C)N(C)C1CCCCC1 ZINC000053486841 168388855 /nfs/dbraw/zinc/38/88/55/168388855.db2.gz STKPAQPTVPOWEO-CYBMUJFWSA-N 1 1 240.435 3.418 10 0 BGAEMO CCC(CC)[NH2+]C[C@H](C)N(C)C1CCCCC1 ZINC000053486843 168388620 /nfs/dbraw/zinc/38/86/20/168388620.db2.gz STKPAQPTVPOWEO-ZDUSSCGKSA-N 1 1 240.435 3.418 10 0 BGAEMO C[C@@H]1CCC[N@@H+](CCCNc2ccccc2)C1 ZINC000053498828 176097287 /nfs/dbraw/zinc/09/72/87/176097287.db2.gz DTOIGBHDWGFZPK-CQSZACIVSA-N 1 1 232.371 3.221 10 0 BGAEMO C[C@H]1CCC[N@@H+](CCCNc2ccccc2)C1 ZINC000053498829 177097837 /nfs/dbraw/zinc/09/78/37/177097837.db2.gz DTOIGBHDWGFZPK-AWEZNQCLSA-N 1 1 232.371 3.221 10 0 BGAEMO CC(C)[C@H](C)[N@@H+](C)CCCNc1ccccc1 ZINC000053499236 188300181 /nfs/dbraw/zinc/30/01/81/188300181.db2.gz PFXNAMDHRGLYNH-AWEZNQCLSA-N 1 1 234.387 3.465 10 0 BGAEMO Cc1cccc(NCCn2cc[nH+]c2C(C)C)c1 ZINC000053524946 179145921 /nfs/dbraw/zinc/14/59/21/179145921.db2.gz POYVUVYYSWMZOK-UHFFFAOYSA-N 1 1 243.354 3.427 10 0 BGAEMO Cc1[nH+]cn([C@@H](C)CNc2ccccc2)c1C ZINC000053535846 180288790 /nfs/dbraw/zinc/28/87/90/180288790.db2.gz CQSCLWRGMBQVRB-NSHDSACASA-N 1 1 229.327 3.173 10 0 BGAEMO Cc1[nH+]cn([C@H](C)CNc2ccccc2)c1C ZINC000053535847 180290086 /nfs/dbraw/zinc/29/00/86/180290086.db2.gz CQSCLWRGMBQVRB-LLVKDONJSA-N 1 1 229.327 3.173 10 0 BGAEMO Cc1[nH+]cn(CCCNc2ccccc2)c1C ZINC000053535894 180285885 /nfs/dbraw/zinc/28/58/85/180285885.db2.gz FXBMNMFEPGLWDW-UHFFFAOYSA-N 1 1 229.327 3.002 10 0 BGAEMO CCc1[nH+]ccn1[C@@H](C)CNc1ccccc1 ZINC000053541360 172029181 /nfs/dbraw/zinc/02/91/81/172029181.db2.gz RANAQXWSAXPGGT-LBPRGKRZSA-N 1 1 229.327 3.119 10 0 BGAEMO CCc1[nH+]ccn1[C@H](C)CNc1ccccc1 ZINC000053541363 172029693 /nfs/dbraw/zinc/02/96/93/172029693.db2.gz RANAQXWSAXPGGT-GFCCVEGCSA-N 1 1 229.327 3.119 10 0 BGAEMO CC(C)C[NH2+]C[C@@H]1CCCN1CCC(C)(C)C ZINC000053650134 167007295 /nfs/dbraw/zinc/00/72/95/167007295.db2.gz PIQKSUMSGYSTBQ-AWEZNQCLSA-N 1 1 240.435 3.133 10 0 BGAEMO CC(C)C[NH2+]C[C@H]1CCCN1CCC(C)(C)C ZINC000053650136 167007701 /nfs/dbraw/zinc/00/77/01/167007701.db2.gz PIQKSUMSGYSTBQ-CQSZACIVSA-N 1 1 240.435 3.133 10 0 BGAEMO C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000053863507 176208434 /nfs/dbraw/zinc/20/84/34/176208434.db2.gz BENWFNHEGZUTIA-VNHYZAJKSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[C@@H]1CC[C@H](O)[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053882670 171057962 /nfs/dbraw/zinc/05/79/62/171057962.db2.gz ORVCCHFCYKDJNQ-ILXRZTDVSA-N 1 1 241.419 3.152 10 0 BGAEMO CC[C@@H]1CC[C@@H](O)[C@H](C[N@@H+](CC)CC(C)C)C1 ZINC000053882674 171042134 /nfs/dbraw/zinc/04/21/34/171042134.db2.gz ORVCCHFCYKDJNQ-QLFBSQMISA-N 1 1 241.419 3.152 10 0 BGAEMO CCC[C@@H]1CC[C@@H](O)[C@H](C[N@@H+](CC)C(C)C)C1 ZINC000053882845 169420090 /nfs/dbraw/zinc/42/00/90/169420090.db2.gz OSHPUEPVFVHAHH-QLFBSQMISA-N 1 1 241.419 3.294 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)C[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000053882946 171311577 /nfs/dbraw/zinc/31/15/77/171311577.db2.gz UTENGSCQMNINAQ-XGUBFFRZSA-N 1 1 241.419 3.294 10 0 BGAEMO CC[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)CC(C)(C)C)C1 ZINC000053923799 171057842 /nfs/dbraw/zinc/05/78/42/171057842.db2.gz VXUQSOLVFOOEEZ-RDBSUJKOSA-N 1 1 241.419 3.152 10 0 BGAEMO CC[C@@H]1CC[C@@H](O)[C@H](C[N@@H+](C)CC(C)(C)C)C1 ZINC000053923801 171041590 /nfs/dbraw/zinc/04/15/90/171041590.db2.gz VXUQSOLVFOOEEZ-HZSPNIEDSA-N 1 1 241.419 3.152 10 0 BGAEMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCCCC2=O)C1 ZINC000053924736 177313479 /nfs/dbraw/zinc/31/34/79/177313479.db2.gz HBYGIRUXGVLRQD-MJBXVCDLSA-N 1 1 237.387 3.114 10 0 BGAEMO CC(C)[N@@H+](C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000053925332 187272544 /nfs/dbraw/zinc/27/25/44/187272544.db2.gz QWCXZLAWISXVIN-CHWSQXEVSA-N 1 1 239.403 3.358 10 0 BGAEMO C[C@@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053925523 176060840 /nfs/dbraw/zinc/06/08/40/176060840.db2.gz NNRDVMZWZSJHDC-HIFRSBDPSA-N 1 1 245.366 3.124 10 0 BGAEMO C[C@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053925525 177069121 /nfs/dbraw/zinc/06/91/21/177069121.db2.gz NNRDVMZWZSJHDC-ZFWWWQNUSA-N 1 1 245.366 3.124 10 0 BGAEMO C[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053925527 176061082 /nfs/dbraw/zinc/06/10/82/176061082.db2.gz NNRDVMZWZSJHDC-UKRRQHHQSA-N 1 1 245.366 3.124 10 0 BGAEMO C[C@H]1CCC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000053925529 177068555 /nfs/dbraw/zinc/06/85/55/177068555.db2.gz NNRDVMZWZSJHDC-DZGCQCFKSA-N 1 1 245.366 3.124 10 0 BGAEMO CC[C@@H]1CCC(=O)[C@H](C[N@@H+](C)C2CCCC2)C1 ZINC000053926474 188300884 /nfs/dbraw/zinc/30/08/84/188300884.db2.gz XQDBCCVUTZWFJQ-OLZOCXBDSA-N 1 1 237.387 3.256 10 0 BGAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCCC2=O)[C@@H]1C ZINC000053927816 176099750 /nfs/dbraw/zinc/09/97/50/176099750.db2.gz IJBHWOBQUFIURC-MCIONIFRSA-N 1 1 237.387 3.256 10 0 BGAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H]1CCCCCC1=O ZINC000053927817 177099495 /nfs/dbraw/zinc/09/94/95/177099495.db2.gz IJBHWOBQUFIURC-MJBXVCDLSA-N 1 1 237.387 3.256 10 0 BGAEMO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CC[C@H](C)C[C@@H]2C)C1 ZINC000053931348 177162699 /nfs/dbraw/zinc/16/26/99/177162699.db2.gz YEVBYMVNRCXENU-RFGFWPKPSA-N 1 1 237.387 3.112 10 0 BGAEMO CCN[C@@H](CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932040 170145206 /nfs/dbraw/zinc/14/52/06/170145206.db2.gz RQNRFHJMICJJQZ-HOCLYGCPSA-N 1 1 246.398 3.212 10 0 BGAEMO CCN[C@@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932040 170145205 /nfs/dbraw/zinc/14/52/05/170145205.db2.gz RQNRFHJMICJJQZ-HOCLYGCPSA-N 1 1 246.398 3.212 10 0 BGAEMO CCN[C@H](CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932042 170161965 /nfs/dbraw/zinc/16/19/65/170161965.db2.gz RQNRFHJMICJJQZ-GOEBONIOSA-N 1 1 246.398 3.212 10 0 BGAEMO CCN[C@H](CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000053932042 170161963 /nfs/dbraw/zinc/16/19/63/170161963.db2.gz RQNRFHJMICJJQZ-GOEBONIOSA-N 1 1 246.398 3.212 10 0 BGAEMO CCCN[C@@H](CC[NH+](CC)CC)c1ccccc1 ZINC000053932193 169278041 /nfs/dbraw/zinc/27/80/41/169278041.db2.gz DKGMMGZBUGNZTI-INIZCTEOSA-N 1 1 248.414 3.459 10 0 BGAEMO CCCN[C@H](CC[NH+](CC)CC)c1ccccc1 ZINC000053932195 169288758 /nfs/dbraw/zinc/28/87/58/169288758.db2.gz DKGMMGZBUGNZTI-MRXNPFEDSA-N 1 1 248.414 3.459 10 0 BGAEMO CC[NH2+][C@@H](CCN1CCCCC1)c1ccccc1 ZINC000053932310 170144947 /nfs/dbraw/zinc/14/49/47/170144947.db2.gz DYHHVDADNZLUCG-INIZCTEOSA-N 1 1 246.398 3.213 10 0 BGAEMO CCN[C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000053932310 170144945 /nfs/dbraw/zinc/14/49/45/170144945.db2.gz DYHHVDADNZLUCG-INIZCTEOSA-N 1 1 246.398 3.213 10 0 BGAEMO CC[NH2+][C@H](CCN1CCCCC1)c1ccccc1 ZINC000053932312 170161722 /nfs/dbraw/zinc/16/17/22/170161722.db2.gz DYHHVDADNZLUCG-MRXNPFEDSA-N 1 1 246.398 3.213 10 0 BGAEMO CCN[C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000053932312 170161720 /nfs/dbraw/zinc/16/17/20/170161720.db2.gz DYHHVDADNZLUCG-MRXNPFEDSA-N 1 1 246.398 3.213 10 0 BGAEMO CCN[C@@H](CC[N@@H+](C)[C@H](C)CC)c1ccccc1 ZINC000053932716 170145094 /nfs/dbraw/zinc/14/50/94/170145094.db2.gz AAIOKXYVQUALJT-ZBFHGGJFSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000053932716 170145092 /nfs/dbraw/zinc/14/50/92/170145092.db2.gz AAIOKXYVQUALJT-ZBFHGGJFSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000053932718 170145366 /nfs/dbraw/zinc/14/53/66/170145366.db2.gz AAIOKXYVQUALJT-HOCLYGCPSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000053932718 170145365 /nfs/dbraw/zinc/14/53/65/170145365.db2.gz AAIOKXYVQUALJT-HOCLYGCPSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000053932852 170145538 /nfs/dbraw/zinc/14/55/38/170145538.db2.gz AOJPLGRRRRNQKC-INIZCTEOSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@H+](CC)C(C)C)c1ccccc1 ZINC000053932852 170145537 /nfs/dbraw/zinc/14/55/37/170145537.db2.gz AOJPLGRRRRNQKC-INIZCTEOSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@H](CC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000053932854 170161823 /nfs/dbraw/zinc/16/18/23/170161823.db2.gz AOJPLGRRRRNQKC-MRXNPFEDSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@H](CC[N@H+](CC)C(C)C)c1ccccc1 ZINC000053932854 170161822 /nfs/dbraw/zinc/16/18/22/170161822.db2.gz AOJPLGRRRRNQKC-MRXNPFEDSA-N 1 1 248.414 3.458 10 0 BGAEMO CCN[C@@H](CC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000053932933 170145173 /nfs/dbraw/zinc/14/51/73/170145173.db2.gz SWNMDTYQZATKAR-INIZCTEOSA-N 1 1 248.414 3.315 10 0 BGAEMO CCN[C@@H](CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000053932933 170145172 /nfs/dbraw/zinc/14/51/72/170145172.db2.gz SWNMDTYQZATKAR-INIZCTEOSA-N 1 1 248.414 3.315 10 0 BGAEMO CCN[C@H](CC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000053932935 170161559 /nfs/dbraw/zinc/16/15/59/170161559.db2.gz SWNMDTYQZATKAR-MRXNPFEDSA-N 1 1 248.414 3.315 10 0 BGAEMO CCN[C@H](CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000053932935 170161558 /nfs/dbraw/zinc/16/15/58/170161558.db2.gz SWNMDTYQZATKAR-MRXNPFEDSA-N 1 1 248.414 3.315 10 0 BGAEMO CCC[N@@H+](CC[C@H](NC)c1ccccc1)C(C)C ZINC000053932973 169170205 /nfs/dbraw/zinc/17/02/05/169170205.db2.gz PERARGXSBPRRDM-INIZCTEOSA-N 1 1 248.414 3.458 10 0 BGAEMO CCC[N@H+](CC[C@H](NC)c1ccccc1)C(C)C ZINC000053932973 169170204 /nfs/dbraw/zinc/17/02/04/169170204.db2.gz PERARGXSBPRRDM-INIZCTEOSA-N 1 1 248.414 3.458 10 0 BGAEMO CCC[N@@H+](CC[C@@H](NC)c1ccccc1)C(C)C ZINC000053932974 169170959 /nfs/dbraw/zinc/17/09/59/169170959.db2.gz PERARGXSBPRRDM-MRXNPFEDSA-N 1 1 248.414 3.458 10 0 BGAEMO CCC[N@H+](CC[C@@H](NC)c1ccccc1)C(C)C ZINC000053932974 169170958 /nfs/dbraw/zinc/17/09/58/169170958.db2.gz PERARGXSBPRRDM-MRXNPFEDSA-N 1 1 248.414 3.458 10 0 BGAEMO CCC[N@@H+](CC[C@H](NC)c1ccccc1)C1CC1 ZINC000053932999 169171040 /nfs/dbraw/zinc/17/10/40/169171040.db2.gz ZUQZDYRRAYQGSE-INIZCTEOSA-N 1 1 246.398 3.212 10 0 BGAEMO CCC[N@H+](CC[C@H](NC)c1ccccc1)C1CC1 ZINC000053932999 169171037 /nfs/dbraw/zinc/17/10/37/169171037.db2.gz ZUQZDYRRAYQGSE-INIZCTEOSA-N 1 1 246.398 3.212 10 0 BGAEMO CCC[N@@H+](CC[C@@H](NC)c1ccccc1)C1CC1 ZINC000053933002 169170740 /nfs/dbraw/zinc/17/07/40/169170740.db2.gz ZUQZDYRRAYQGSE-MRXNPFEDSA-N 1 1 246.398 3.212 10 0 BGAEMO CCC[N@H+](CC[C@@H](NC)c1ccccc1)C1CC1 ZINC000053933002 169170738 /nfs/dbraw/zinc/17/07/38/169170738.db2.gz ZUQZDYRRAYQGSE-MRXNPFEDSA-N 1 1 246.398 3.212 10 0 BGAEMO C[C@H](C[N@H+]1CCCC[C@@H]1C)C(=O)c1ccccc1 ZINC000053934813 177078013 /nfs/dbraw/zinc/07/80/13/177078013.db2.gz WHAZDBJHKHOOOL-KGLIPLIRSA-N 1 1 245.366 3.380 10 0 BGAEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)C(=O)c1ccccc1 ZINC000053934852 176099282 /nfs/dbraw/zinc/09/92/82/176099282.db2.gz SOENXROWTGHFIY-ZIAGYGMSSA-N 1 1 245.366 3.237 10 0 BGAEMO C[C@H](C[N@H+]1CCC[C@H](C)C1)C(=O)c1ccccc1 ZINC000053934854 177099160 /nfs/dbraw/zinc/09/91/60/177099160.db2.gz SOENXROWTGHFIY-UONOGXRCSA-N 1 1 245.366 3.237 10 0 BGAEMO CC[C@H](C)[N@@H+](C)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053938829 171308317 /nfs/dbraw/zinc/30/83/17/171308317.db2.gz SPMCAGXVAANTGY-IPYPFGDCSA-N 1 1 234.387 3.053 10 0 BGAEMO CC[C@H](C)[N@H+](C)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053938829 171308316 /nfs/dbraw/zinc/30/83/16/171308316.db2.gz SPMCAGXVAANTGY-IPYPFGDCSA-N 1 1 234.387 3.053 10 0 BGAEMO CCC[N@@H+](CC)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053938881 169125861 /nfs/dbraw/zinc/12/58/61/169125861.db2.gz JHUACKQZBWSQET-HIFRSBDPSA-N 1 1 234.387 3.054 10 0 BGAEMO CCC[N@H+](CC)C[C@@H](C)[C@H](N)c1ccccc1 ZINC000053938881 169125860 /nfs/dbraw/zinc/12/58/60/169125860.db2.gz JHUACKQZBWSQET-HIFRSBDPSA-N 1 1 234.387 3.054 10 0 BGAEMO CCC[N@@H+](CC)C[C@H](C)[C@H](N)c1ccccc1 ZINC000053938882 169129909 /nfs/dbraw/zinc/12/99/09/169129909.db2.gz JHUACKQZBWSQET-ZFWWWQNUSA-N 1 1 234.387 3.054 10 0 BGAEMO CCC[N@H+](CC)C[C@H](C)[C@H](N)c1ccccc1 ZINC000053938882 169129906 /nfs/dbraw/zinc/12/99/06/169129906.db2.gz JHUACKQZBWSQET-ZFWWWQNUSA-N 1 1 234.387 3.054 10 0 BGAEMO CCCN[C@@H](CC[N@@H+](C)CC)c1ccc(C)cc1 ZINC000053938986 169277700 /nfs/dbraw/zinc/27/77/00/169277700.db2.gz IUFXZYXVQAJWSV-INIZCTEOSA-N 1 1 248.414 3.378 10 0 BGAEMO CCCN[C@@H](CC[N@H+](C)CC)c1ccc(C)cc1 ZINC000053938986 169277699 /nfs/dbraw/zinc/27/76/99/169277699.db2.gz IUFXZYXVQAJWSV-INIZCTEOSA-N 1 1 248.414 3.378 10 0 BGAEMO CCC[NH2+][C@@H](CCN(C)CC)c1ccc(C)cc1 ZINC000053938986 169277698 /nfs/dbraw/zinc/27/76/98/169277698.db2.gz IUFXZYXVQAJWSV-INIZCTEOSA-N 1 1 248.414 3.378 10 0 BGAEMO CCCN[C@H](CC[N@@H+](C)CC)c1ccc(C)cc1 ZINC000053938989 169288868 /nfs/dbraw/zinc/28/88/68/169288868.db2.gz IUFXZYXVQAJWSV-MRXNPFEDSA-N 1 1 248.414 3.378 10 0 BGAEMO CCCN[C@H](CC[N@H+](C)CC)c1ccc(C)cc1 ZINC000053938989 169288865 /nfs/dbraw/zinc/28/88/65/169288865.db2.gz IUFXZYXVQAJWSV-MRXNPFEDSA-N 1 1 248.414 3.378 10 0 BGAEMO CCC[NH2+][C@H](CCN(C)CC)c1ccc(C)cc1 ZINC000053938989 169288864 /nfs/dbraw/zinc/28/88/64/169288864.db2.gz IUFXZYXVQAJWSV-MRXNPFEDSA-N 1 1 248.414 3.378 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)c1ccccc1F ZINC000053974174 176070963 /nfs/dbraw/zinc/07/09/63/176070963.db2.gz DFPJDRYVBUSSMT-GFCCVEGCSA-N 1 1 249.329 3.273 10 0 BGAEMO C[C@H]1CCCC[N@H+]1CCC(=O)c1ccccc1F ZINC000053974176 177075928 /nfs/dbraw/zinc/07/59/28/177075928.db2.gz DFPJDRYVBUSSMT-LBPRGKRZSA-N 1 1 249.329 3.273 10 0 BGAEMO C[C@@H]1CCC[N@@H+](CCC(=O)c2ccccc2F)C1 ZINC000053974206 176096230 /nfs/dbraw/zinc/09/62/30/176096230.db2.gz ADAQNNCJZBZOGZ-GFCCVEGCSA-N 1 1 249.329 3.130 10 0 BGAEMO C[C@H]1CCC[N@@H+](CCC(=O)c2ccccc2F)C1 ZINC000053974208 177097760 /nfs/dbraw/zinc/09/77/60/177097760.db2.gz ADAQNNCJZBZOGZ-LBPRGKRZSA-N 1 1 249.329 3.130 10 0 BGAEMO CC[C@H](C)[N@@H+](C)CCC(=O)c1ccccc1F ZINC000053974363 171305304 /nfs/dbraw/zinc/30/53/04/171305304.db2.gz PVPFSEGFFYTENK-NSHDSACASA-N 1 1 237.318 3.129 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCC[C@@H]1C ZINC000054013142 179245280 /nfs/dbraw/zinc/24/52/80/179245280.db2.gz VNAIKXRSZZBAAY-ZDUSSCGKSA-N 1 1 231.339 3.052 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCC[C@H]1C ZINC000054013144 179245851 /nfs/dbraw/zinc/24/58/51/179245851.db2.gz VNAIKXRSZZBAAY-CYBMUJFWSA-N 1 1 231.339 3.052 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000054013264 179246552 /nfs/dbraw/zinc/24/65/52/179246552.db2.gz BEDLCMLWIDNXHK-AWEZNQCLSA-N 1 1 245.366 3.442 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000054013266 179245793 /nfs/dbraw/zinc/24/57/93/179245793.db2.gz BEDLCMLWIDNXHK-CQSZACIVSA-N 1 1 245.366 3.442 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000054013314 179246581 /nfs/dbraw/zinc/24/65/81/179246581.db2.gz JOQDOJHRZJMTPC-ZDUSSCGKSA-N 1 1 245.366 3.300 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000054013316 179246523 /nfs/dbraw/zinc/24/65/23/179246523.db2.gz JOQDOJHRZJMTPC-CYBMUJFWSA-N 1 1 245.366 3.300 10 0 BGAEMO CC[C@H](C)[N@@H+](C)CCC(=O)c1ccccc1C ZINC000054013522 171305170 /nfs/dbraw/zinc/30/51/70/171305170.db2.gz NZKFGWZKZBZTQM-ZDUSSCGKSA-N 1 1 233.355 3.298 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@H+](C)C1CCCC1 ZINC000054013598 179245314 /nfs/dbraw/zinc/24/53/14/179245314.db2.gz WPEPYHLNXAQLAT-UHFFFAOYSA-N 1 1 245.366 3.442 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@H+](C)CC(C)C ZINC000054013605 179245341 /nfs/dbraw/zinc/24/53/41/179245341.db2.gz HXNMTRVCTVLLFY-UHFFFAOYSA-N 1 1 233.355 3.156 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000054013818 179245327 /nfs/dbraw/zinc/24/53/27/179245327.db2.gz TUCWVCCXPCDMHK-ZDUSSCGKSA-N 1 1 245.366 3.298 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@H+](C)[C@H](C)C1CC1 ZINC000054013820 179246450 /nfs/dbraw/zinc/24/64/50/179246450.db2.gz TUCWVCCXPCDMHK-CYBMUJFWSA-N 1 1 245.366 3.298 10 0 BGAEMO Cc1ccccc1C(=O)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000054014369 179246062 /nfs/dbraw/zinc/24/60/62/179246062.db2.gz GIRKARYPPUXATA-UONOGXRCSA-N 1 1 243.350 3.052 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[NH+]1CCC(C)CC1 ZINC000054015429 179344090 /nfs/dbraw/zinc/34/40/90/179344090.db2.gz HRHGUGAJAKDKMK-MRXNPFEDSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[NH+]1CCC(C)CC1 ZINC000054015431 179324435 /nfs/dbraw/zinc/32/44/35/179324435.db2.gz HRHGUGAJAKDKMK-INIZCTEOSA-N 1 1 246.398 3.117 10 0 BGAEMO CCN[C@@H](CC[NH+](CC)CC)c1cccc(C)c1 ZINC000054015592 170145219 /nfs/dbraw/zinc/14/52/19/170145219.db2.gz JOZWPISGKKLJRG-INIZCTEOSA-N 1 1 248.414 3.378 10 0 BGAEMO CCN[C@H](CC[NH+](CC)CC)c1cccc(C)c1 ZINC000054015594 170161525 /nfs/dbraw/zinc/16/15/25/170161525.db2.gz JOZWPISGKKLJRG-MRXNPFEDSA-N 1 1 248.414 3.378 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@@H+]1CCCC[C@@H]1C ZINC000054015650 179343141 /nfs/dbraw/zinc/34/31/41/179343141.db2.gz VVOISETUXSWICM-GOEBONIOSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@H+]1CCCC[C@@H]1C ZINC000054015650 179343139 /nfs/dbraw/zinc/34/31/39/179343139.db2.gz VVOISETUXSWICM-GOEBONIOSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@@H+]1CCCC[C@@H]1C ZINC000054015652 179325533 /nfs/dbraw/zinc/32/55/33/179325533.db2.gz VVOISETUXSWICM-HOCLYGCPSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@H+]1CCCC[C@@H]1C ZINC000054015652 179325532 /nfs/dbraw/zinc/32/55/32/179325532.db2.gz VVOISETUXSWICM-HOCLYGCPSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@@H+]1CCC[C@H](C)C1 ZINC000054015865 179343076 /nfs/dbraw/zinc/34/30/76/179343076.db2.gz NQYHGDWXWZJCPP-XJKSGUPXSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@H+]1CCC[C@H](C)C1 ZINC000054015865 179343074 /nfs/dbraw/zinc/34/30/74/179343074.db2.gz NQYHGDWXWZJCPP-XJKSGUPXSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@@H+]1CCC[C@H](C)C1 ZINC000054015867 179324809 /nfs/dbraw/zinc/32/48/09/179324809.db2.gz NQYHGDWXWZJCPP-BBRMVZONSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@H+]1CCC[C@H](C)C1 ZINC000054015867 179324806 /nfs/dbraw/zinc/32/48/06/179324806.db2.gz NQYHGDWXWZJCPP-BBRMVZONSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[NH+]1CCCCCC1 ZINC000054015910 179343093 /nfs/dbraw/zinc/34/30/93/179343093.db2.gz FWKBEKJJOQWONA-MRXNPFEDSA-N 1 1 246.398 3.261 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[NH+]1CCCCCC1 ZINC000054015912 179324113 /nfs/dbraw/zinc/32/41/13/179324113.db2.gz FWKBEKJJOQWONA-INIZCTEOSA-N 1 1 246.398 3.261 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@H+](C)C1CCCC1 ZINC000054017116 179343828 /nfs/dbraw/zinc/34/38/28/179343828.db2.gz JDTIRHMGXXQELF-MRXNPFEDSA-N 1 1 246.398 3.259 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@H+](C)C1CCCC1 ZINC000054017118 179325266 /nfs/dbraw/zinc/32/52/66/179325266.db2.gz JDTIRHMGXXQELF-INIZCTEOSA-N 1 1 246.398 3.259 10 0 BGAEMO CCC[N@@H+](CC[C@H](N)c1ccccc1C)C1CC1 ZINC000054017279 169170148 /nfs/dbraw/zinc/17/01/48/169170148.db2.gz AZOKZNVXWQAFNM-INIZCTEOSA-N 1 1 246.398 3.259 10 0 BGAEMO CCC[N@@H+](CC[C@@H](N)c1ccccc1C)C1CC1 ZINC000054017281 169171178 /nfs/dbraw/zinc/17/11/78/169171178.db2.gz AZOKZNVXWQAFNM-MRXNPFEDSA-N 1 1 246.398 3.259 10 0 BGAEMO CC[C@H](C)C[N@@H+](C)CC[C@H](N)c1ccccc1C ZINC000054017325 171273450 /nfs/dbraw/zinc/27/34/50/171273450.db2.gz HNEJSZLEOZQHDK-BBRMVZONSA-N 1 1 248.414 3.363 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@H+](C)[C@@H](C)C(C)C ZINC000054017932 179343449 /nfs/dbraw/zinc/34/34/49/179343449.db2.gz GONWVVNAINKSKF-GOEBONIOSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@H+](C)[C@@H](C)C(C)C ZINC000054017934 179324259 /nfs/dbraw/zinc/32/42/59/179324259.db2.gz GONWVVNAINKSKF-HOCLYGCPSA-N 1 1 248.414 3.361 10 0 BGAEMO Cc1ccccc1[C@H](N)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000054018008 179343272 /nfs/dbraw/zinc/34/32/72/179343272.db2.gz JJBZPSDNYIWWGI-XJKSGUPXSA-N 1 1 246.398 3.115 10 0 BGAEMO Cc1ccccc1[C@@H](N)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000054018010 179325294 /nfs/dbraw/zinc/32/52/94/179325294.db2.gz JJBZPSDNYIWWGI-BBRMVZONSA-N 1 1 246.398 3.115 10 0 BGAEMO CC[N@@H+](CC[C@H](O)C(C)(C)C)C1CCCCC1 ZINC000054046725 169872924 /nfs/dbraw/zinc/87/29/24/169872924.db2.gz SNUFMMPAKNOFNW-AWEZNQCLSA-N 1 1 241.419 3.438 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H](O)C(C)(C)C ZINC000054047374 176078497 /nfs/dbraw/zinc/07/84/97/176078497.db2.gz VGFGQRWSQINBML-RDBSUJKOSA-N 1 1 241.419 3.294 10 0 BGAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H](O)C(C)(C)C ZINC000054047377 176086033 /nfs/dbraw/zinc/08/60/33/176086033.db2.gz VGFGQRWSQINBML-MCIONIFRSA-N 1 1 241.419 3.294 10 0 BGAEMO CC1CCC([N@@H+](C)CC[C@H](O)C(C)(C)C)CC1 ZINC000054047440 168158558 /nfs/dbraw/zinc/15/85/58/168158558.db2.gz POJAFAHFAZMQDS-RUXDESIVSA-N 1 1 241.419 3.294 10 0 BGAEMO CC1CCC([N@@H+](C)CC[C@@H](O)C(C)(C)C)CC1 ZINC000054047442 168157649 /nfs/dbraw/zinc/15/76/49/168157649.db2.gz POJAFAHFAZMQDS-JXQTWKCFSA-N 1 1 241.419 3.294 10 0 BGAEMO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1ccco1 ZINC000054106599 171536683 /nfs/dbraw/zinc/53/66/83/171536683.db2.gz LEXZLIPOFBYJMJ-STQMWFEESA-N 1 1 238.375 3.051 10 0 BGAEMO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1ccco1 ZINC000054106601 171545277 /nfs/dbraw/zinc/54/52/77/171545277.db2.gz LEXZLIPOFBYJMJ-OLZOCXBDSA-N 1 1 238.375 3.051 10 0 BGAEMO CC[C@H](C)CNc1[nH]c2ccccc2[nH+]1 ZINC000054474478 171289222 /nfs/dbraw/zinc/28/92/22/171289222.db2.gz HEVAVAHCKMLAQT-VIFPVBQESA-N 1 1 203.289 3.021 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054554908 169049956 /nfs/dbraw/zinc/04/99/56/169049956.db2.gz LLRDPWXLDURKLI-QLFBSQMISA-N 1 1 240.435 3.259 10 0 BGAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054555076 188300990 /nfs/dbraw/zinc/30/09/90/188300990.db2.gz VHRATAJXLHRKBV-LJISPDSOSA-N 1 1 240.435 3.115 10 0 BGAEMO CC(C)C[N@@H+](C)C1(CN)CCC(C(C)C)CC1 ZINC000054557002 166937994 /nfs/dbraw/zinc/93/79/94/166937994.db2.gz GKBWCMWBAMOZRV-UHFFFAOYSA-N 1 1 240.435 3.118 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558211 169049197 /nfs/dbraw/zinc/04/91/97/169049197.db2.gz MIWWRQCEWHDTOX-KFWWJZLASA-N 1 1 241.419 3.292 10 0 BGAEMO CCC[N@@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558237 169091572 /nfs/dbraw/zinc/09/15/72/169091572.db2.gz KMKDMXAXCHYUNK-YUELXQCFSA-N 1 1 239.403 3.046 10 0 BGAEMO CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558950 171307892 /nfs/dbraw/zinc/30/78/92/171307892.db2.gz MUSVDMPFAMPUKK-MJBXVCDLSA-N 1 1 239.403 3.358 10 0 BGAEMO CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054560945 171308288 /nfs/dbraw/zinc/30/82/88/171308288.db2.gz PEQBJWLGYVMWJU-XGUBFFRZSA-N 1 1 241.419 3.150 10 0 BGAEMO C[C@@H](c1cccs1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600992 176034273 /nfs/dbraw/zinc/03/42/73/176034273.db2.gz FLCTVMURFDSWOW-SDDRHHMPSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@@H](c1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600992 176034272 /nfs/dbraw/zinc/03/42/72/176034272.db2.gz FLCTVMURFDSWOW-SDDRHHMPSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@H](c1cccs1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600993 177050315 /nfs/dbraw/zinc/05/03/15/177050315.db2.gz FLCTVMURFDSWOW-UTUOFQBUSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@H](c1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600993 177050314 /nfs/dbraw/zinc/05/03/14/177050314.db2.gz FLCTVMURFDSWOW-UTUOFQBUSA-N 1 1 249.379 3.395 10 0 BGAEMO Cc1cccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)c1 ZINC000054601033 179084664 /nfs/dbraw/zinc/08/46/64/179084664.db2.gz OKPGJGKXRKQNSV-GASCZTMLSA-N 1 1 243.350 3.081 10 0 BGAEMO Cc1cccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)c1 ZINC000054601033 179084660 /nfs/dbraw/zinc/08/46/60/179084660.db2.gz OKPGJGKXRKQNSV-GASCZTMLSA-N 1 1 243.350 3.081 10 0 BGAEMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCCCCC1 ZINC000054603055 349064275 /nfs/dbraw/zinc/06/42/75/349064275.db2.gz NHMQTYOUKGMTML-OKILXGFUSA-N 1 1 235.371 3.295 10 0 BGAEMO C[C@@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626985 176017965 /nfs/dbraw/zinc/01/79/65/176017965.db2.gz CXPBUWIVKRSYTK-LEWSCRJBSA-N 1 1 247.313 3.083 10 0 BGAEMO C[C@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626987 177036226 /nfs/dbraw/zinc/03/62/26/177036226.db2.gz CXPBUWIVKRSYTK-HONMWMINSA-N 1 1 247.313 3.083 10 0 BGAEMO Cc1cc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(C)o1 ZINC000054627023 178221208 /nfs/dbraw/zinc/22/12/08/178221208.db2.gz HKLCMZCILRQDNO-RTXFEEFZSA-N 1 1 247.338 3.153 10 0 BGAEMO Cc1cc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(C)o1 ZINC000054627024 178244422 /nfs/dbraw/zinc/24/44/22/178244422.db2.gz HKLCMZCILRQDNO-WCFLWFBJSA-N 1 1 247.338 3.153 10 0 BGAEMO Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627156 179317805 /nfs/dbraw/zinc/31/78/05/179317805.db2.gz MICWJIPCWOWACU-MCIONIFRSA-N 1 1 243.350 3.252 10 0 BGAEMO Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627158 179335482 /nfs/dbraw/zinc/33/54/82/179335482.db2.gz MICWJIPCWOWACU-MELADBBJSA-N 1 1 243.350 3.252 10 0 BGAEMO CCC[C@@H](CC)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628495 169375238 /nfs/dbraw/zinc/37/52/38/169375238.db2.gz KMLYFMALTFOHKJ-NUDNTCICSA-N 1 1 238.419 3.170 10 0 BGAEMO CC(C)c1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764618 358872481 /nfs/dbraw/zinc/87/24/81/358872481.db2.gz GGUTZSGRAHMCLC-GFCCVEGCSA-N 1 1 243.354 3.384 10 0 BGAEMO CC(C)c1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764619 358872979 /nfs/dbraw/zinc/87/29/79/358872979.db2.gz GGUTZSGRAHMCLC-LBPRGKRZSA-N 1 1 243.354 3.384 10 0 BGAEMO Cc1nc[nH]c1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000054794062 180121680 /nfs/dbraw/zinc/12/16/80/180121680.db2.gz JVMKUQMANUCDFB-VIFPVBQESA-N 1 1 249.745 3.222 10 0 BGAEMO Cc1nc[nH]c1C[NH2+][C@H](C)c1ccccc1Cl ZINC000054794064 180121781 /nfs/dbraw/zinc/12/17/81/180121781.db2.gz JVMKUQMANUCDFB-SECBINFHSA-N 1 1 249.745 3.222 10 0 BGAEMO CCC[NH+](CCC)[C@@H](CCN)c1ccccc1 ZINC000055015082 169151080 /nfs/dbraw/zinc/15/10/80/169151080.db2.gz VGRAXGXTCXGBAM-HNNXBMFYSA-N 1 1 234.387 3.199 10 0 BGAEMO CCC[NH+](CCC)[C@H](CCN)c1ccccc1 ZINC000055015084 169152402 /nfs/dbraw/zinc/15/24/02/169152402.db2.gz VGRAXGXTCXGBAM-OAHLLOKOSA-N 1 1 234.387 3.199 10 0 BGAEMO CC[NH2+][C@H](c1ccccn1)c1ccc(F)cc1F ZINC000055238848 170164879 /nfs/dbraw/zinc/16/48/79/170164879.db2.gz HDGDYPVBJJYUPJ-AWEZNQCLSA-N 1 1 248.276 3.059 10 0 BGAEMO CC[NH2+][C@@H](c1ccccn1)c1ccc(F)cc1F ZINC000055238851 170148840 /nfs/dbraw/zinc/14/88/40/170148840.db2.gz HDGDYPVBJJYUPJ-CQSZACIVSA-N 1 1 248.276 3.059 10 0 BGAEMO [NH3+][C@H](c1nc2ccccc2s1)c1ccccc1 ZINC000055359189 398286331 /nfs/dbraw/zinc/28/63/31/398286331.db2.gz LCUXOKKXLIBQKQ-ZDUSSCGKSA-N 1 1 240.331 3.344 10 0 BGAEMO [NH3+][C@@H](c1nc2ccccc2s1)c1ccccc1 ZINC000055359194 398286207 /nfs/dbraw/zinc/28/62/07/398286207.db2.gz LCUXOKKXLIBQKQ-CYBMUJFWSA-N 1 1 240.331 3.344 10 0 BGAEMO Cc1cccc([C@H](C)c2[nH]cc[nH+]2)c1C ZINC000056898872 384920507 /nfs/dbraw/zinc/92/05/07/384920507.db2.gz FXJRDUKXWHFPND-NSHDSACASA-N 1 1 200.285 3.178 10 0 in-man BGAEMO Cc1cc2nc([C@@H]3CCCC[NH2+]3)[nH]c2cc1Cl ZINC000057340804 178277370 /nfs/dbraw/zinc/27/73/70/178277370.db2.gz YJHVGJTVWKFDPT-JTQLQIEISA-N 1 1 249.745 3.339 10 0 BGAEMO Cc1cc2nc([C@H]3CCCC[NH2+]3)[nH]c2cc1Cl ZINC000057340807 178277196 /nfs/dbraw/zinc/27/71/96/178277196.db2.gz YJHVGJTVWKFDPT-SNVBAGLBSA-N 1 1 249.745 3.339 10 0 BGAEMO Cc1cc(N)ccc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057381066 132237031 /nfs/dbraw/zinc/23/70/31/132237031.db2.gz YWEYVVKEGSIKCJ-PHIMTYICSA-N 1 1 218.344 3.060 10 0 BGAEMO c1ccn(-c2ccc([NH+]3CCCCC3)cc2)c1 ZINC000057532449 132237061 /nfs/dbraw/zinc/23/70/61/132237061.db2.gz WKIZYAOQLOJUIW-UHFFFAOYSA-N 1 1 226.323 3.468 10 0 BGAEMO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](N)C(C)(C)C ZINC000058057752 188357300 /nfs/dbraw/zinc/35/73/00/188357300.db2.gz KPOYVXFVVXIPDQ-OAHLLOKOSA-N 1 1 248.414 3.270 10 0 BGAEMO CCC[N@H+]1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000058522933 169198207 /nfs/dbraw/zinc/19/82/07/169198207.db2.gz ANYSYRVXKLTFPB-UKRRQHHQSA-N 1 1 245.366 3.296 10 0 BGAEMO CC(C)(C)CC[N@H+]1CCCc2cc(N)ccc21 ZINC000058778469 132368457 /nfs/dbraw/zinc/36/84/57/132368457.db2.gz DSTFEXAQGZDXJP-UHFFFAOYSA-N 1 1 232.371 3.458 10 0 BGAEMO CC(C)(C)CC[N@@H+]1CCCc2cc(N)ccc21 ZINC000058778469 132368456 /nfs/dbraw/zinc/36/84/56/132368456.db2.gz DSTFEXAQGZDXJP-UHFFFAOYSA-N 1 1 232.371 3.458 10 0 BGAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)c1cccs1 ZINC000058826536 176070616 /nfs/dbraw/zinc/07/06/16/176070616.db2.gz XPHBPAOTXUGGID-LLVKDONJSA-N 1 1 237.368 3.195 10 0 BGAEMO C[C@H]1CCCC[N@H+]1CCC(=O)c1cccs1 ZINC000058826539 177074991 /nfs/dbraw/zinc/07/49/91/177074991.db2.gz XPHBPAOTXUGGID-NSHDSACASA-N 1 1 237.368 3.195 10 0 BGAEMO Cc1ccccc1[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000059860484 343713360 /nfs/dbraw/zinc/71/33/60/343713360.db2.gz ARTLMKKTFSBWOH-JSGCOSHPSA-N 1 1 203.329 3.050 10 0 BGAEMO COc1cccc2c1CCC1=C2CCC[N@H+]1C ZINC000060214547 343716957 /nfs/dbraw/zinc/71/69/57/343716957.db2.gz IWEXGPVQNIPUPH-UHFFFAOYSA-N 1 1 229.323 3.078 10 0 BGAEMO C[N@H+]1CCC[C@H]2CCc3ccccc3[C@@H]21 ZINC000060248247 368335896 /nfs/dbraw/zinc/33/58/96/368335896.db2.gz KFQXNYZIBDCUGC-GXTWGEPZSA-N 1 1 201.313 3.016 10 0 BGAEMO C[N@H+]1CCC[C@@H]2CCc3ccccc3[C@@H]21 ZINC000060248249 368334945 /nfs/dbraw/zinc/33/49/45/368334945.db2.gz KFQXNYZIBDCUGC-TZMCWYRMSA-N 1 1 201.313 3.016 10 0 BGAEMO C[N@@H+](CC1CCCCC1)C[C@H]1CCCCC1=O ZINC000060720471 172660211 /nfs/dbraw/zinc/66/02/11/172660211.db2.gz GYAMHAOWIYRTJL-CQSZACIVSA-N 1 1 237.387 3.258 10 0 BGAEMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCC2=O)c1 ZINC000060720504 179066346 /nfs/dbraw/zinc/06/63/46/179066346.db2.gz ZJPXQZFGHIAGOY-HNNXBMFYSA-N 1 1 245.366 3.186 10 0 BGAEMO Cc1cccc(C[N@@H+](C)C[C@H]2CCCCC2=O)c1 ZINC000060720505 179066647 /nfs/dbraw/zinc/06/66/47/179066647.db2.gz ZJPXQZFGHIAGOY-OAHLLOKOSA-N 1 1 245.366 3.186 10 0 BGAEMO Cc1cc(Nc2[nH+]cc(N)cc2C)ccc1F ZINC000061115549 178194041 /nfs/dbraw/zinc/19/40/41/178194041.db2.gz DCYQGMRPVSJLHJ-UHFFFAOYSA-N 1 1 231.274 3.163 10 0 BGAEMO CCNc1cc[nH+]c2cc(F)c(F)c(F)c12 ZINC000061122450 170174994 /nfs/dbraw/zinc/17/49/94/170174994.db2.gz UIJCCRBQGWMTOP-UHFFFAOYSA-N 1 1 226.201 3.084 10 0 BGAEMO CC[NH2+]C(C)(C)c1nc2ccc(Cl)cc2[nH]1 ZINC000061149768 170107156 /nfs/dbraw/zinc/10/71/56/170107156.db2.gz QUMVYJJYGCFFND-UHFFFAOYSA-N 1 1 237.734 3.061 10 0 BGAEMO C[C@@H](c1ccsc1)[N@H+]1Cc2cccc(N)c2C1 ZINC000061366624 176036138 /nfs/dbraw/zinc/03/61/38/176036138.db2.gz WFEXWOKVGRRIHQ-JTQLQIEISA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@@H](c1ccsc1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000061366624 176036137 /nfs/dbraw/zinc/03/61/37/176036137.db2.gz WFEXWOKVGRRIHQ-JTQLQIEISA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@H](c1ccsc1)[N@H+]1Cc2cccc(N)c2C1 ZINC000061366625 177051226 /nfs/dbraw/zinc/05/12/26/177051226.db2.gz WFEXWOKVGRRIHQ-SNVBAGLBSA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@H](c1ccsc1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000061366625 177051223 /nfs/dbraw/zinc/05/12/23/177051223.db2.gz WFEXWOKVGRRIHQ-SNVBAGLBSA-N 1 1 244.363 3.407 10 0 BGAEMO C[C@@H](c1ccsc1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000061367254 176035685 /nfs/dbraw/zinc/03/56/85/176035685.db2.gz GLSILAYLFPQQRU-WCFLWFBJSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@@H](c1ccsc1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000061367254 176035683 /nfs/dbraw/zinc/03/56/83/176035683.db2.gz GLSILAYLFPQQRU-WCFLWFBJSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@H](c1ccsc1)[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000061367255 177051161 /nfs/dbraw/zinc/05/11/61/177051161.db2.gz GLSILAYLFPQQRU-RTXFEEFZSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@H](c1ccsc1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000061367255 177051160 /nfs/dbraw/zinc/05/11/60/177051160.db2.gz GLSILAYLFPQQRU-RTXFEEFZSA-N 1 1 249.379 3.395 10 0 BGAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)CC1CCC1 ZINC000061453682 176014938 /nfs/dbraw/zinc/01/49/38/176014938.db2.gz FZUNQZKZMHFYFG-NSHDSACASA-N 1 1 218.344 3.062 10 0 BGAEMO C[C@H](c1ccc(N)cc1)[N@@H+](C)CC1CCC1 ZINC000061453684 177034206 /nfs/dbraw/zinc/03/42/06/177034206.db2.gz FZUNQZKZMHFYFG-LLVKDONJSA-N 1 1 218.344 3.062 10 0 BGAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)CC1CCC1 ZINC000061453691 176018052 /nfs/dbraw/zinc/01/80/52/176018052.db2.gz DIYZFGBPHVSPQL-NSHDSACASA-N 1 1 218.344 3.062 10 0 BGAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)CC1CCC1 ZINC000061453692 177036549 /nfs/dbraw/zinc/03/65/49/177036549.db2.gz DIYZFGBPHVSPQL-LLVKDONJSA-N 1 1 218.344 3.062 10 0 BGAEMO Cc1cccc([C@@H](C[NH3+])N(C)CC2CCC2)c1C ZINC000061455169 179185558 /nfs/dbraw/zinc/18/55/58/179185558.db2.gz FFJRUZFSNDNHFJ-MRXNPFEDSA-N 1 1 246.398 3.035 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@@H+](C)CC2CCC2)c1C ZINC000061455169 179185556 /nfs/dbraw/zinc/18/55/56/179185556.db2.gz FFJRUZFSNDNHFJ-MRXNPFEDSA-N 1 1 246.398 3.035 10 0 BGAEMO Cc1cccc([C@H](C[NH3+])N(C)CC2CCC2)c1C ZINC000061455172 179199112 /nfs/dbraw/zinc/19/91/12/179199112.db2.gz FFJRUZFSNDNHFJ-INIZCTEOSA-N 1 1 246.398 3.035 10 0 BGAEMO Cc1cccc([C@H](CN)[N@@H+](C)CC2CCC2)c1C ZINC000061455172 179199111 /nfs/dbraw/zinc/19/91/11/179199111.db2.gz FFJRUZFSNDNHFJ-INIZCTEOSA-N 1 1 246.398 3.035 10 0 BGAEMO Cc1cccc(NCC[N@H+](C)CC2CCC2)c1 ZINC000061486513 179145107 /nfs/dbraw/zinc/14/51/07/179145107.db2.gz NVGPJXNKVGBGMH-UHFFFAOYSA-N 1 1 232.371 3.139 10 0 BGAEMO COc1ccc(Nc2[nH+]cc(N)cc2C)c(C)c1 ZINC000061566130 175156494 /nfs/dbraw/zinc/15/64/94/175156494.db2.gz BKNYNDKRYGZGJL-UHFFFAOYSA-N 1 1 243.310 3.033 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@H](CN)CCc1ccccc1 ZINC000061624563 169049885 /nfs/dbraw/zinc/04/98/85/169049885.db2.gz SCMUUHSAAYFBIY-INIZCTEOSA-N 1 1 248.414 3.067 10 0 BGAEMO CCC[N@@H+](C(C)C)[C@@H](CN)CCc1ccccc1 ZINC000061624564 169049627 /nfs/dbraw/zinc/04/96/27/169049627.db2.gz SCMUUHSAAYFBIY-MRXNPFEDSA-N 1 1 248.414 3.067 10 0 BGAEMO CC[C@H](C)[N@@H+](CC)[C@H](CN)CCc1ccccc1 ZINC000061624593 171312195 /nfs/dbraw/zinc/31/21/95/171312195.db2.gz YBFPLXWSJLDPRO-HOCLYGCPSA-N 1 1 248.414 3.067 10 0 BGAEMO CCCOc1cccc([C@H]([NH3+])c2ccco2)c1 ZINC000061667705 169325762 /nfs/dbraw/zinc/32/57/62/169325762.db2.gz DHCCFUBMQJDWBC-AWEZNQCLSA-N 1 1 231.295 3.117 10 0 BGAEMO CCCOc1cccc([C@@H]([NH3+])c2ccco2)c1 ZINC000061667706 169326027 /nfs/dbraw/zinc/32/60/27/169326027.db2.gz DHCCFUBMQJDWBC-CQSZACIVSA-N 1 1 231.295 3.117 10 0 BGAEMO CCCNc1nc(C)[nH+]c(C)c1C(C)C ZINC000061687471 169295476 /nfs/dbraw/zinc/29/54/76/169295476.db2.gz CBADNOGTNNLRGY-UHFFFAOYSA-N 1 1 207.321 3.039 10 0 BGAEMO CC(=O)c1ccc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000061694466 640987738 /nfs/dbraw/zinc/98/77/38/640987738.db2.gz YCTUEBGVCDJSLF-UHFFFAOYSA-N 1 1 234.686 3.037 10 0 BGAEMO CCC[NH+](CCC)c1ccc(C)c(N)c1 ZINC000061700697 349389567 /nfs/dbraw/zinc/38/95/67/349389567.db2.gz FVWKSGOZIYNTNZ-UHFFFAOYSA-N 1 1 206.333 3.204 10 0 BGAEMO Cc1ccccc1[C@H](C[NH3+])N1CCC(C)(C)CC1 ZINC000061818546 179342449 /nfs/dbraw/zinc/34/24/49/179342449.db2.gz YDNCOPLRSXZXRR-HNNXBMFYSA-N 1 1 246.398 3.117 10 0 BGAEMO Nc1ccc(N2CCC3(CCCCC3)CC2)c[nH+]1 ZINC000061819172 132387294 /nfs/dbraw/zinc/38/72/94/132387294.db2.gz NNHTWHOIVQICQS-UHFFFAOYSA-N 1 1 245.370 3.215 10 0 BGAEMO C[NH2+]CC[C@H](C)N1CCC2(CCCCC2)CC1 ZINC000061822923 173358127 /nfs/dbraw/zinc/35/81/27/173358127.db2.gz QETRGSORLFCYSA-AWEZNQCLSA-N 1 1 238.419 3.031 10 0 BGAEMO C[NH2+]CC[C@@H](C)N1CCC2(CCCCC2)CC1 ZINC000061822924 173357335 /nfs/dbraw/zinc/35/73/35/173357335.db2.gz QETRGSORLFCYSA-CQSZACIVSA-N 1 1 238.419 3.031 10 0 BGAEMO CC(C)NC[C@H](C(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823256 167113433 /nfs/dbraw/zinc/11/34/33/167113433.db2.gz SWLLGJXMRHVUSD-CQSZACIVSA-N 1 1 240.435 3.131 10 0 BGAEMO CC(C)NC[C@@H](C(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823257 167109954 /nfs/dbraw/zinc/10/99/54/167109954.db2.gz SWLLGJXMRHVUSD-AWEZNQCLSA-N 1 1 240.435 3.131 10 0 BGAEMO Cc1cccc(C[N@H+](C)[C@H](CN)CC(C)(C)C)c1 ZINC000061839848 179068802 /nfs/dbraw/zinc/06/88/02/179068802.db2.gz ZRNXILDTMYQEOH-HNNXBMFYSA-N 1 1 248.414 3.190 10 0 BGAEMO Cc1cccc(C[N@@H+](C)[C@H](CN)CC(C)(C)C)c1 ZINC000061839848 179068798 /nfs/dbraw/zinc/06/87/98/179068798.db2.gz ZRNXILDTMYQEOH-HNNXBMFYSA-N 1 1 248.414 3.190 10 0 BGAEMO Cc1cccc(C[N@H+](C)[C@@H](CN)CC(C)(C)C)c1 ZINC000061839849 179070306 /nfs/dbraw/zinc/07/03/06/179070306.db2.gz ZRNXILDTMYQEOH-OAHLLOKOSA-N 1 1 248.414 3.190 10 0 BGAEMO Cc1cccc(C[N@@H+](C)[C@@H](CN)CC(C)(C)C)c1 ZINC000061839849 179070305 /nfs/dbraw/zinc/07/03/05/179070305.db2.gz ZRNXILDTMYQEOH-OAHLLOKOSA-N 1 1 248.414 3.190 10 0 BGAEMO CC1CCC([N@@H+](C)[C@H](CN)CC(C)(C)C)CC1 ZINC000061839904 168160371 /nfs/dbraw/zinc/16/03/71/168160371.db2.gz FBLAJLBONWNZKV-RUXDESIVSA-N 1 1 240.435 3.260 10 0 BGAEMO CC1CCC([N@@H+](C)[C@@H](CN)CC(C)(C)C)CC1 ZINC000061839905 168160122 /nfs/dbraw/zinc/16/01/22/168160122.db2.gz FBLAJLBONWNZKV-JXQTWKCFSA-N 1 1 240.435 3.260 10 0 BGAEMO C[C@@H]1CCC[C@H]([N@@H+](C)[C@H](CN)CC(C)(C)C)C1 ZINC000061839924 176140815 /nfs/dbraw/zinc/14/08/15/176140815.db2.gz KIFRMSPOQRGKQZ-RDBSUJKOSA-N 1 1 240.435 3.260 10 0 BGAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)[C@H](CN)CC(C)(C)C)C1 ZINC000061839926 176120994 /nfs/dbraw/zinc/12/09/94/176120994.db2.gz KIFRMSPOQRGKQZ-MCIONIFRSA-N 1 1 240.435 3.260 10 0 BGAEMO C[C@H](CC[N@H+]1CCC(=O)[C@H](C)C1)c1ccccc1 ZINC000061910670 176292314 /nfs/dbraw/zinc/29/23/14/176292314.db2.gz DTSONSUSCDMOTC-ZIAGYGMSSA-N 1 1 245.366 3.091 10 0 BGAEMO C[C@H](CC[N@H+]1CCC(=O)[C@@H](C)C1)c1ccccc1 ZINC000061910671 177254595 /nfs/dbraw/zinc/25/45/95/177254595.db2.gz DTSONSUSCDMOTC-KGLIPLIRSA-N 1 1 245.366 3.091 10 0 BGAEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C(C)(C)CN ZINC000062013251 176014289 /nfs/dbraw/zinc/01/42/89/176014289.db2.gz GROQMYYTWKIWKD-JTQLQIEISA-N 1 1 240.778 3.070 10 0 BGAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C(C)(C)CN ZINC000062013251 176014288 /nfs/dbraw/zinc/01/42/88/176014288.db2.gz GROQMYYTWKIWKD-JTQLQIEISA-N 1 1 240.778 3.070 10 0 BGAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C(C)(C)CN ZINC000062013252 177032914 /nfs/dbraw/zinc/03/29/14/177032914.db2.gz GROQMYYTWKIWKD-SNVBAGLBSA-N 1 1 240.778 3.070 10 0 BGAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C(C)(C)CN ZINC000062013252 177032912 /nfs/dbraw/zinc/03/29/12/177032912.db2.gz GROQMYYTWKIWKD-SNVBAGLBSA-N 1 1 240.778 3.070 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(O)c1 ZINC000062183965 177116747 /nfs/dbraw/zinc/11/67/47/177116747.db2.gz VWMRINNOMIEXRF-TXEJJXNPSA-N 1 1 219.328 3.155 10 0 BGAEMO C[NH2+][C@H](c1cscn1)c1ccc(Cl)s1 ZINC000062355553 385134558 /nfs/dbraw/zinc/13/45/58/385134558.db2.gz UFQBONLYGMJPLQ-SECBINFHSA-N 1 1 244.772 3.167 10 0 BGAEMO C[NH2+][C@@H](c1cscn1)c1ccc(Cl)s1 ZINC000062355556 385134670 /nfs/dbraw/zinc/13/46/70/385134670.db2.gz UFQBONLYGMJPLQ-VIFPVBQESA-N 1 1 244.772 3.167 10 0 BGAEMO CC[NH2+][C@H](c1cscn1)c1ccc(C)s1 ZINC000062355728 170164680 /nfs/dbraw/zinc/16/46/80/170164680.db2.gz RACLQBWEHGHCQA-LLVKDONJSA-N 1 1 238.381 3.212 10 0 BGAEMO CC[NH2+][C@@H](c1cscn1)c1ccc(C)s1 ZINC000062355730 170149812 /nfs/dbraw/zinc/14/98/12/170149812.db2.gz RACLQBWEHGHCQA-NSHDSACASA-N 1 1 238.381 3.212 10 0 BGAEMO CC[NH2+][C@H](c1cscn1)c1ccc(C)cc1 ZINC000062355795 170147301 /nfs/dbraw/zinc/14/73/01/170147301.db2.gz JBONYWBGIRMMDS-ZDUSSCGKSA-N 1 1 232.352 3.150 10 0 BGAEMO CC[NH2+][C@@H](c1cscn1)c1ccc(C)cc1 ZINC000062355798 170163188 /nfs/dbraw/zinc/16/31/88/170163188.db2.gz JBONYWBGIRMMDS-CYBMUJFWSA-N 1 1 232.352 3.150 10 0 BGAEMO CC[C@H](C)[N@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062620111 171320653 /nfs/dbraw/zinc/32/06/53/171320653.db2.gz OIDMLLPZRQAUAB-SOUVJXGZSA-N 1 1 240.435 3.129 10 0 BGAEMO CCCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062620114 169210354 /nfs/dbraw/zinc/21/03/54/169210354.db2.gz IYAITRBSMOZJHK-GJZGRUSLSA-N 1 1 240.435 3.131 10 0 BGAEMO CCC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062620114 169210353 /nfs/dbraw/zinc/21/03/53/169210353.db2.gz IYAITRBSMOZJHK-GJZGRUSLSA-N 1 1 240.435 3.131 10 0 BGAEMO CCCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062620118 169209647 /nfs/dbraw/zinc/20/96/47/169209647.db2.gz IYAITRBSMOZJHK-CABCVRRESA-N 1 1 240.435 3.131 10 0 BGAEMO CCC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062620118 169209645 /nfs/dbraw/zinc/20/96/45/169209645.db2.gz IYAITRBSMOZJHK-CABCVRRESA-N 1 1 240.435 3.131 10 0 BGAEMO CC(C)C[N@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062622308 166966773 /nfs/dbraw/zinc/96/67/73/166966773.db2.gz SQWVPZJVXUUYIR-OAHLLOKOSA-N 1 1 246.398 3.068 10 0 BGAEMO CC[C@H](C)[N@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062622317 171317830 /nfs/dbraw/zinc/31/78/30/171317830.db2.gz GYDPIBWXYZMSGV-DZGCQCFKSA-N 1 1 246.398 3.210 10 0 BGAEMO CCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062622324 169210218 /nfs/dbraw/zinc/21/02/18/169210218.db2.gz MBBOOYAGGSTSDR-HZPDHXFCSA-N 1 1 246.398 3.068 10 0 BGAEMO CCC[N@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062622324 169210216 /nfs/dbraw/zinc/21/02/16/169210216.db2.gz MBBOOYAGGSTSDR-HZPDHXFCSA-N 1 1 246.398 3.068 10 0 BGAEMO CCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062622325 169210652 /nfs/dbraw/zinc/21/06/52/169210652.db2.gz MBBOOYAGGSTSDR-JKSUJKDBSA-N 1 1 246.398 3.068 10 0 BGAEMO CCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062622325 169210651 /nfs/dbraw/zinc/21/06/51/169210651.db2.gz MBBOOYAGGSTSDR-JKSUJKDBSA-N 1 1 246.398 3.068 10 0 BGAEMO CC[N@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062622332 170039466 /nfs/dbraw/zinc/03/94/66/170039466.db2.gz RCFZRKYEDYTMQV-JKSUJKDBSA-N 1 1 246.398 3.068 10 0 BGAEMO CC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062622332 170039465 /nfs/dbraw/zinc/03/94/65/170039465.db2.gz RCFZRKYEDYTMQV-JKSUJKDBSA-N 1 1 246.398 3.068 10 0 BGAEMO CC[N@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062622334 170029081 /nfs/dbraw/zinc/02/90/81/170029081.db2.gz RCFZRKYEDYTMQV-HZPDHXFCSA-N 1 1 246.398 3.068 10 0 BGAEMO CC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062622334 170029080 /nfs/dbraw/zinc/02/90/80/170029080.db2.gz RCFZRKYEDYTMQV-HZPDHXFCSA-N 1 1 246.398 3.068 10 0 BGAEMO CCCCC[N@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062622407 168697508 /nfs/dbraw/zinc/69/75/08/168697508.db2.gz AHMKSZYJOUHAKP-INIZCTEOSA-N 1 1 246.398 3.213 10 0 BGAEMO CCC[NH2+]Cc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000062821161 169266052 /nfs/dbraw/zinc/26/60/52/169266052.db2.gz OHOZWUHLUZHLQJ-UHFFFAOYSA-N 1 1 249.745 3.230 10 0 BGAEMO CC(C)[NH2+]Cc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000062821278 167117237 /nfs/dbraw/zinc/11/72/37/167117237.db2.gz AWHQZWUPBYAAEP-UHFFFAOYSA-N 1 1 249.745 3.228 10 0 BGAEMO CC(C)C[NH2+]Cc1c[nH]c(C2CCC(C)CC2)n1 ZINC000062821584 167007968 /nfs/dbraw/zinc/00/79/68/167007968.db2.gz NZJLLLMZIGUSHF-UHFFFAOYSA-N 1 1 249.402 3.449 10 0 BGAEMO Cc1ccc(-c2nc(C[NH2+]CC(C)C)c[nH]2)cc1 ZINC000062821611 178335205 /nfs/dbraw/zinc/33/52/05/178335205.db2.gz XPLFZNYBFUOXJA-UHFFFAOYSA-N 1 1 243.354 3.131 10 0 BGAEMO CC(C)C[NH2+]Cc1c[nH]c(C2CCCCC2)n1 ZINC000062821615 167007823 /nfs/dbraw/zinc/00/78/23/167007823.db2.gz QCKWRTZMTMYFMZ-UHFFFAOYSA-N 1 1 235.375 3.203 10 0 BGAEMO CCC1(CC)CCN(c2[nH+]cccc2N)CC1 ZINC000062953354 132388801 /nfs/dbraw/zinc/38/88/01/132388801.db2.gz MHAVPIWVWYJMRT-UHFFFAOYSA-N 1 1 233.359 3.070 10 0 BGAEMO CC(C)[NH2+]CCCN1CCC2(CCCC2)CC1 ZINC000062953677 167103038 /nfs/dbraw/zinc/10/30/38/167103038.db2.gz RCOUTMUKWMKNSZ-UHFFFAOYSA-N 1 1 238.419 3.031 10 0 BGAEMO CCC(CC)(CN)C[NH+]1CCC(C)(CC)CC1 ZINC000062956971 168445319 /nfs/dbraw/zinc/44/53/19/168445319.db2.gz OOMXEULBUOHOIO-UHFFFAOYSA-N 1 1 240.435 3.264 10 0 BGAEMO CN(C(=[NH2+])c1ccccc1)c1ccccc1F ZINC000062992559 172292261 /nfs/dbraw/zinc/29/22/61/172292261.db2.gz GXGMINNVTLHVAT-UHFFFAOYSA-N 1 1 228.270 3.287 10 0 BGAEMO CCOCCNc1ccc([NH+]2CCCCC2)cc1 ZINC000062995916 535628058 /nfs/dbraw/zinc/62/80/58/535628058.db2.gz WWKYHHNHITUDGM-UHFFFAOYSA-N 1 1 248.370 3.125 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N)c(F)c1 ZINC000063011217 177116671 /nfs/dbraw/zinc/11/66/71/177116671.db2.gz BWIJHBWWBZPGLZ-PHIMTYICSA-N 1 1 236.334 3.171 10 0 BGAEMO CC(C)[N@@H+](C)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000063018769 188304087 /nfs/dbraw/zinc/30/40/87/188304087.db2.gz ROKWWZLQTGARDL-AWEZNQCLSA-N 1 1 234.387 3.053 10 0 BGAEMO CC[C@H](C)[N@@H+](C)CC(C)(C)[C@H](N)c1ccccc1 ZINC000063018831 171305226 /nfs/dbraw/zinc/30/52/26/171305226.db2.gz OPXPRYITFPZNHC-DZGCQCFKSA-N 1 1 248.414 3.443 10 0 BGAEMO CCC[N@@H+](C)CC(C)(C)[C@H](N)c1ccccc1 ZINC000063018882 169075183 /nfs/dbraw/zinc/07/51/83/169075183.db2.gz ZLOYNABMVZGLCU-CQSZACIVSA-N 1 1 234.387 3.054 10 0 BGAEMO CCC[N@@H+](C)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000063018883 169075792 /nfs/dbraw/zinc/07/57/92/169075792.db2.gz ZLOYNABMVZGLCU-AWEZNQCLSA-N 1 1 234.387 3.054 10 0 BGAEMO CCC[N@@H+](C)CC(C)(C)[C@H](O)c1ccccc1 ZINC000063019663 169076762 /nfs/dbraw/zinc/07/67/62/169076762.db2.gz SFHFQXSNAZDBIK-CQSZACIVSA-N 1 1 235.371 3.088 10 0 BGAEMO CCC[N@@H+](C)CC(C)(C)[C@@H](O)c1ccccc1 ZINC000063019664 169074940 /nfs/dbraw/zinc/07/49/40/169074940.db2.gz SFHFQXSNAZDBIK-AWEZNQCLSA-N 1 1 235.371 3.088 10 0 BGAEMO Cc1cccc([C@@H]([C@@H](C)N)[N@H+]2CCCC2(C)C)c1 ZINC000063065755 179188528 /nfs/dbraw/zinc/18/85/28/179188528.db2.gz PGFOQJNNXPGVMN-UKRRQHHQSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@@H](C)N)[N@H+]2CCCC2(C)C)c1 ZINC000063065756 179203234 /nfs/dbraw/zinc/20/32/34/179203234.db2.gz PGFOQJNNXPGVMN-HIFRSBDPSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@@H]([C@H](C)N)[N@H+]2CCCC2(C)C)c1 ZINC000063065757 179188678 /nfs/dbraw/zinc/18/86/78/179188678.db2.gz PGFOQJNNXPGVMN-DZGCQCFKSA-N 1 1 246.398 3.258 10 0 BGAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+]2CCCC2(C)C)c1 ZINC000063065758 179203397 /nfs/dbraw/zinc/20/33/97/179203397.db2.gz PGFOQJNNXPGVMN-ZFWWWQNUSA-N 1 1 246.398 3.258 10 0 BGAEMO CCN[C@@H]1CCCCC[C@@H]1[N@H+]1CCCC1(C)C ZINC000063066666 170150293 /nfs/dbraw/zinc/15/02/93/170150293.db2.gz XDXUURVYJDXWAH-KGLIPLIRSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@@H]1CCCCC[C@@H]1[N@@H+]1CCCC1(C)C ZINC000063066666 170150291 /nfs/dbraw/zinc/15/02/91/170150291.db2.gz XDXUURVYJDXWAH-KGLIPLIRSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@H]1CCCCC[C@@H]1[N@H+]1CCCC1(C)C ZINC000063066667 170166001 /nfs/dbraw/zinc/16/60/01/170166001.db2.gz XDXUURVYJDXWAH-KBPBESRZSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@H]1CCCCC[C@@H]1[N@@H+]1CCCC1(C)C ZINC000063066667 170165999 /nfs/dbraw/zinc/16/59/99/170165999.db2.gz XDXUURVYJDXWAH-KBPBESRZSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@@H]1CCCCC[C@H]1[N@H+]1CCCC1(C)C ZINC000063066668 170151067 /nfs/dbraw/zinc/15/10/67/170151067.db2.gz XDXUURVYJDXWAH-ZIAGYGMSSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@@H]1CCCCC[C@H]1[N@@H+]1CCCC1(C)C ZINC000063066668 170151065 /nfs/dbraw/zinc/15/10/65/170151065.db2.gz XDXUURVYJDXWAH-ZIAGYGMSSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@H]1CCCCC[C@H]1[N@H+]1CCCC1(C)C ZINC000063066669 170165992 /nfs/dbraw/zinc/16/59/92/170165992.db2.gz XDXUURVYJDXWAH-UONOGXRCSA-N 1 1 238.419 3.172 10 0 BGAEMO CCN[C@H]1CCCCC[C@H]1[N@@H+]1CCCC1(C)C ZINC000063066669 170165990 /nfs/dbraw/zinc/16/59/90/170165990.db2.gz XDXUURVYJDXWAH-UONOGXRCSA-N 1 1 238.419 3.172 10 0 BGAEMO CCC[C@@H](NCC)[C@@H](CC)[N@H+]1CCCC1(C)C ZINC000063066737 169399962 /nfs/dbraw/zinc/39/99/62/169399962.db2.gz IPFVRTBGAKIATO-ZIAGYGMSSA-N 1 1 240.435 3.418 10 0 BGAEMO CCC[C@@H](NCC)[C@@H](CC)[N@@H+]1CCCC1(C)C ZINC000063066737 169399961 /nfs/dbraw/zinc/39/99/61/169399961.db2.gz IPFVRTBGAKIATO-ZIAGYGMSSA-N 1 1 240.435 3.418 10 0 BGAEMO CC(C)[C@H]1CC[C@H](N)[C@H]([N@H+]2CCCC2(C)C)C1 ZINC000063066941 188185772 /nfs/dbraw/zinc/18/57/72/188185772.db2.gz NIJBNBSTNSLIIZ-MELADBBJSA-N 1 1 238.419 3.013 10 0 BGAEMO Cc1ccc(C(=O)C[N@H+]2CCCC2(C)C)cc1 ZINC000063071704 178373543 /nfs/dbraw/zinc/37/35/43/178373543.db2.gz OLRIBBVNBQJEGH-UHFFFAOYSA-N 1 1 231.339 3.052 10 0 BGAEMO Cc1cccc(C(=O)C[N@H+]2CCCC2(C)C)c1 ZINC000063071712 179004076 /nfs/dbraw/zinc/00/40/76/179004076.db2.gz SNBHFBOQVOZATK-UHFFFAOYSA-N 1 1 231.339 3.052 10 0 BGAEMO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@H+]2CCCC2(C)C)C1 ZINC000063072369 187273924 /nfs/dbraw/zinc/27/39/24/187273924.db2.gz SXNSSZAFZPSUNV-MCIONIFRSA-N 1 1 239.403 3.046 10 0 BGAEMO CC(C)[C@H]1CC[C@@H](O)[C@H]([N@H+]2CCCC2(C)C)C1 ZINC000063072372 188184804 /nfs/dbraw/zinc/18/48/04/188184804.db2.gz SXNSSZAFZPSUNV-BFHYXJOUSA-N 1 1 239.403 3.046 10 0 BGAEMO CC[C@@H]1CCC(=O)[C@@H](C[N@H+]2CCCC2(C)C)C1 ZINC000063073026 187273462 /nfs/dbraw/zinc/27/34/62/187273462.db2.gz VIKBBJWOQVEMTI-CHWSQXEVSA-N 1 1 237.387 3.256 10 0 BGAEMO CC[C@H]1CCC(=O)[C@@H](C[N@H+]2CCCC2(C)C)C1 ZINC000063073027 188304190 /nfs/dbraw/zinc/30/41/90/188304190.db2.gz VIKBBJWOQVEMTI-QWHCGFSZSA-N 1 1 237.387 3.256 10 0 BGAEMO CC1CCC(C[N@H+]2Cc3cccc(N)c3C2)CC1 ZINC000063146464 168152912 /nfs/dbraw/zinc/15/29/12/168152912.db2.gz DPSGICHOTNNUFB-UHFFFAOYSA-N 1 1 244.382 3.411 10 0 BGAEMO CC1CCC(C[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000063146955 168154058 /nfs/dbraw/zinc/15/40/58/168154058.db2.gz NNXZKGLNRCSOCK-ZMYVRHLSSA-N 1 1 249.398 3.399 10 0 BGAEMO CC[C@H](C)C[C@H](CC)[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063191854 171299401 /nfs/dbraw/zinc/29/94/01/171299401.db2.gz NFDFGKWYPHXDNI-LJISPDSOSA-N 1 1 240.435 3.403 10 0 BGAEMO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C)CC1 ZINC000063309328 342875252 /nfs/dbraw/zinc/87/52/52/342875252.db2.gz VUTQQHKVCLKMND-WDEREUQCSA-N 1 1 249.358 3.130 10 0 BGAEMO Brc1ccc2[nH]c3cc[nH+]cc3c2c1 ZINC000066054873 166100207 /nfs/dbraw/zinc/10/02/07/166100207.db2.gz QQZKFCZEMHCHMK-UHFFFAOYSA-N 1 1 247.095 3.479 10 0 BGAEMO c1cn(Cc2cccnc2)c(C2CCCCC2)[nH+]1 ZINC000067851182 632580180 /nfs/dbraw/zinc/58/01/80/632580180.db2.gz MIVRZXNRLMZTSZ-UHFFFAOYSA-N 1 1 241.338 3.374 10 0 BGAEMO c1cn(Cc2ccccn2)c(C2CCCCC2)[nH+]1 ZINC000067975650 642726360 /nfs/dbraw/zinc/72/63/60/642726360.db2.gz UTMJSCWRBFKSSB-UHFFFAOYSA-N 1 1 241.338 3.374 10 0 BGAEMO CC[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000068590767 343919574 /nfs/dbraw/zinc/91/95/74/343919574.db2.gz NUNGUNMCCLKYSF-LLVKDONJSA-N 1 1 224.735 3.282 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000068590771 343919502 /nfs/dbraw/zinc/91/95/02/343919502.db2.gz NUNGUNMCCLKYSF-NSHDSACASA-N 1 1 224.735 3.282 10 0 BGAEMO C[C@H]1C(=O)[C@@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000068592657 176047507 /nfs/dbraw/zinc/04/75/07/176047507.db2.gz LPKQYIKVPAIMPD-LVEBTZEWSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592660 176047183 /nfs/dbraw/zinc/04/71/83/176047183.db2.gz LPKQYIKVPAIMPD-XDQVBPFNSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1C(=O)[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592662 176047285 /nfs/dbraw/zinc/04/72/85/176047285.db2.gz LPKQYIKVPAIMPD-XJFOESAGSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C(=O)[C@H]1C ZINC000068593118 176047298 /nfs/dbraw/zinc/04/72/98/176047298.db2.gz VZNWYOGWIASOOE-RQJABVFESA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C(=O)[C@H]1C ZINC000068593118 176047297 /nfs/dbraw/zinc/04/72/97/176047297.db2.gz VZNWYOGWIASOOE-RQJABVFESA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@@H]1[C@@H](C)[C@H](C)C(=O)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593122 176047499 /nfs/dbraw/zinc/04/74/99/176047499.db2.gz VZNWYOGWIASOOE-FQUUOJAGSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@@H]1[C@@H](C)[C@H](C)C(=O)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593122 176047497 /nfs/dbraw/zinc/04/74/97/176047497.db2.gz VZNWYOGWIASOOE-FQUUOJAGSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1C(=O)[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000068593127 177060113 /nfs/dbraw/zinc/06/01/13/177060113.db2.gz VZNWYOGWIASOOE-SYQHCUMBSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1C(=O)[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000068593127 177060112 /nfs/dbraw/zinc/06/01/12/177060112.db2.gz VZNWYOGWIASOOE-SYQHCUMBSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1C(=O)[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000068593129 384002712 /nfs/dbraw/zinc/00/27/12/384002712.db2.gz VZNWYOGWIASOOE-DGAVXFQQSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@H]1C(=O)[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000068593129 384002704 /nfs/dbraw/zinc/00/27/04/384002704.db2.gz VZNWYOGWIASOOE-DGAVXFQQSA-N 1 1 245.366 3.121 10 0 BGAEMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068838160 388809714 /nfs/dbraw/zinc/80/97/14/388809714.db2.gz VUTQQHKVCLKMND-MNOVXSKESA-N 1 1 249.358 3.130 10 0 BGAEMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C)CC1 ZINC000068838163 388809926 /nfs/dbraw/zinc/80/99/26/388809926.db2.gz VUTQQHKVCLKMND-QWRGUYRKSA-N 1 1 249.358 3.130 10 0 BGAEMO CCC(C)(C)[N@@H+](C)[C@H]1CCCCCC1=O ZINC000069000195 373103847 /nfs/dbraw/zinc/10/38/47/373103847.db2.gz KNVLELZVQPGNJH-NSHDSACASA-N 1 1 211.349 3.009 10 0 BGAEMO Cc1cccc(N[C@@H](C)C2CCCC2)[nH+]1 ZINC000069805463 343292452 /nfs/dbraw/zinc/29/24/52/343292452.db2.gz SKBQZJPIMWNRQR-NSHDSACASA-N 1 1 204.317 3.381 10 0 BGAEMO Cc1cccc(N[C@H](C)C2CCCC2)[nH+]1 ZINC000069805466 343292379 /nfs/dbraw/zinc/29/23/79/343292379.db2.gz SKBQZJPIMWNRQR-LLVKDONJSA-N 1 1 204.317 3.381 10 0 BGAEMO CC(C)c1[nH+]ccn1Cc1cccs1 ZINC000069950242 374100738 /nfs/dbraw/zinc/10/07/38/374100738.db2.gz FCKWZBAYNUUJFU-UHFFFAOYSA-N 1 1 206.314 3.116 10 0 BGAEMO Fc1ccccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070225 359040063 /nfs/dbraw/zinc/04/00/63/359040063.db2.gz NXFITWGMMUOUCK-CQSZACIVSA-N 1 1 243.281 3.049 10 0 BGAEMO Fc1ccccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070226 359040108 /nfs/dbraw/zinc/04/01/08/359040108.db2.gz NXFITWGMMUOUCK-AWEZNQCLSA-N 1 1 243.281 3.049 10 0 BGAEMO C[C@](O)(C[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000070259596 643008816 /nfs/dbraw/zinc/00/88/16/643008816.db2.gz NMJKJLKRBCVANM-INIZCTEOSA-N 1 1 247.382 3.016 10 0 BGAEMO C[C@@](O)(C[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000070259597 643008093 /nfs/dbraw/zinc/00/80/93/643008093.db2.gz NMJKJLKRBCVANM-MRXNPFEDSA-N 1 1 247.382 3.016 10 0 BGAEMO CC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000070376170 643021545 /nfs/dbraw/zinc/02/15/45/643021545.db2.gz TYGPCPQRHWODLU-WFASDCNBSA-N 1 1 231.339 3.049 10 0 BGAEMO CC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000070376171 643022099 /nfs/dbraw/zinc/02/20/99/643022099.db2.gz TYGPCPQRHWODLU-DOMZBBRYSA-N 1 1 231.339 3.049 10 0 BGAEMO CCc1ccc(C[NH2+][C@@H]2COc3ccccc32)o1 ZINC000070528925 384116157 /nfs/dbraw/zinc/11/61/57/384116157.db2.gz KMHMEUWJNCGDRL-CQSZACIVSA-N 1 1 243.306 3.065 10 0 BGAEMO CCc1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000070528926 384116859 /nfs/dbraw/zinc/11/68/59/384116859.db2.gz KMHMEUWJNCGDRL-AWEZNQCLSA-N 1 1 243.306 3.065 10 0 BGAEMO CC(C)[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000070609102 350547791 /nfs/dbraw/zinc/54/77/91/350547791.db2.gz UJHBUVQGJWCNQX-SNVBAGLBSA-N 1 1 217.316 3.030 10 0 BGAEMO CC(C)[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000070609103 350547585 /nfs/dbraw/zinc/54/75/85/350547585.db2.gz UJHBUVQGJWCNQX-JTQLQIEISA-N 1 1 217.316 3.030 10 0 BGAEMO Cc1cc[nH+]c(Nc2ccc3c(c2)CCCN3)c1 ZINC000071214925 387097799 /nfs/dbraw/zinc/09/77/99/387097799.db2.gz ZMHBYOIMUTYUTR-UHFFFAOYSA-N 1 1 239.322 3.492 10 0 BGAEMO Cc1cccc(Nc2ccc3c(c2)CCCN3)[nH+]1 ZINC000071214946 179159257 /nfs/dbraw/zinc/15/92/57/179159257.db2.gz MQKPWWOMXPQCBY-UHFFFAOYSA-N 1 1 239.322 3.492 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2C)o1 ZINC000071338904 387120994 /nfs/dbraw/zinc/12/09/94/387120994.db2.gz RNWJXHATVLNOOS-LBPRGKRZSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2C)o1 ZINC000071338905 387121202 /nfs/dbraw/zinc/12/12/02/387121202.db2.gz RNWJXHATVLNOOS-GFCCVEGCSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1ccc2oc([C@@H]([NH3+])c3ccncc3)cc2c1 ZINC000071406795 188130626 /nfs/dbraw/zinc/13/06/26/188130626.db2.gz PKWNRIWNUPBBLI-HNNXBMFYSA-N 1 1 238.290 3.184 10 0 BGAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCc1cccc(N)c1 ZINC000071426125 177117419 /nfs/dbraw/zinc/11/74/19/177117419.db2.gz XVWLTXQFHKPPSJ-BETUJISGSA-N 1 1 232.371 3.074 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000071494106 173037455 /nfs/dbraw/zinc/03/74/55/173037455.db2.gz IMOQCUQYWIGYBR-LLVKDONJSA-N 1 1 240.144 3.216 10 0 BGAEMO C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000071494107 173059415 /nfs/dbraw/zinc/05/94/15/173059415.db2.gz IMOQCUQYWIGYBR-NSHDSACASA-N 1 1 240.144 3.216 10 0 BGAEMO CCCCc1ccc([C@H]([NH3+])CN2CCCC2)cc1 ZINC000071561291 169023152 /nfs/dbraw/zinc/02/31/52/169023152.db2.gz JNKUTYKTZURQKK-MRXNPFEDSA-N 1 1 246.398 3.125 10 0 BGAEMO CCCCc1ccc([C@@H]([NH3+])CN2CCCC2)cc1 ZINC000071561292 169021586 /nfs/dbraw/zinc/02/15/86/169021586.db2.gz JNKUTYKTZURQKK-INIZCTEOSA-N 1 1 246.398 3.125 10 0 BGAEMO CCCCc1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000071561295 169021911 /nfs/dbraw/zinc/02/19/11/169021911.db2.gz DEIOVFFDIHJPQX-MRXNPFEDSA-N 1 1 246.398 3.125 10 0 BGAEMO CCCCc1ccc([C@H](CN)[NH+]2CCCC2)cc1 ZINC000071561296 169023744 /nfs/dbraw/zinc/02/37/44/169023744.db2.gz DEIOVFFDIHJPQX-INIZCTEOSA-N 1 1 246.398 3.125 10 0 BGAEMO Cc1cc(C)c([C@H](C[NH3+])N2CCCCC2)cc1C ZINC000071561370 177875123 /nfs/dbraw/zinc/87/51/23/177875123.db2.gz WYAJSERBCVJFLJ-INIZCTEOSA-N 1 1 246.398 3.098 10 0 BGAEMO C[N@H+]1CCCC[C@@H]1c1c[nH]c2ccccc12 ZINC000071606938 173007735 /nfs/dbraw/zinc/00/77/35/173007735.db2.gz PMHSDJMJLWDONS-CQSZACIVSA-N 1 1 214.312 3.325 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1c[nH]c2ccccc12 ZINC000071606940 173010319 /nfs/dbraw/zinc/01/03/19/173010319.db2.gz PMHSDJMJLWDONS-AWEZNQCLSA-N 1 1 214.312 3.325 10 0 BGAEMO CCCC[C@H]([NH3+])c1nc2ccc(CC)cc2[nH]1 ZINC000071743219 169008461 /nfs/dbraw/zinc/00/84/61/169008461.db2.gz MSXLJKBEHDZAKL-NSHDSACASA-N 1 1 231.343 3.315 10 0 BGAEMO 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CC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000104415814 582793129 /nfs/dbraw/zinc/79/31/29/582793129.db2.gz VEMSRBNZKGZQQE-RDTXFTJFSA-N 1 1 243.350 3.001 10 0 BGAEMO CC1(C[N@H+]2Cc3ccc(N)cc3C2)CCCC1 ZINC000104441178 168025970 /nfs/dbraw/zinc/02/59/70/168025970.db2.gz DJQRQJPDSPFPAS-UHFFFAOYSA-N 1 1 230.355 3.165 10 0 BGAEMO CCC(CC)[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000104443250 168399580 /nfs/dbraw/zinc/39/95/80/168399580.db2.gz PLIOHKPXFZOQML-HIFRSBDPSA-N 1 1 240.435 3.275 10 0 BGAEMO CCC(CC)[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000104443257 168399630 /nfs/dbraw/zinc/39/96/30/168399630.db2.gz PLIOHKPXFZOQML-UKRRQHHQSA-N 1 1 240.435 3.275 10 0 BGAEMO CC1(Cn2c[nH+]c3cc(N)ccc32)CCCC1 ZINC000104444874 168053512 /nfs/dbraw/zinc/05/35/12/168053512.db2.gz OPMCDPSSLCFVKU-UHFFFAOYSA-N 1 1 229.327 3.199 10 0 BGAEMO CC1(C[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CCCC1 ZINC000104446122 168025656 /nfs/dbraw/zinc/02/56/56/168025656.db2.gz RMVFPTQTDRBLNY-BETUJISGSA-N 1 1 235.371 3.153 10 0 BGAEMO 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Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC(C)C ZINC000105895689 180348845 /nfs/dbraw/zinc/34/88/45/180348845.db2.gz HCLTXFAOROYMOM-CQSZACIVSA-N 1 1 249.402 3.220 10 0 BGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC000105896943 172029917 /nfs/dbraw/zinc/02/99/17/172029917.db2.gz NCDCGCJWDQEJBS-CQSZACIVSA-N 1 1 247.386 3.049 10 0 BGAEMO CCc1nccn1[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC000105896946 172029131 /nfs/dbraw/zinc/02/91/31/172029131.db2.gz NCDCGCJWDQEJBS-AWEZNQCLSA-N 1 1 247.386 3.049 10 0 BGAEMO CCCC(CN)(CCC)[NH2+]Cc1ccccc1 ZINC000106024095 369077360 /nfs/dbraw/zinc/07/73/60/369077360.db2.gz OFNSEWPGNCBITM-UHFFFAOYSA-N 1 1 234.387 3.074 10 0 BGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000106213561 172029496 /nfs/dbraw/zinc/02/94/96/172029496.db2.gz ALWWXCCHNTVTAG-CQSZACIVSA-N 1 1 249.402 3.129 10 0 BGAEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC000106213564 172029851 /nfs/dbraw/zinc/02/98/51/172029851.db2.gz ALWWXCCHNTVTAG-AWEZNQCLSA-N 1 1 249.402 3.129 10 0 BGAEMO 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CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000107953210 592705602 /nfs/dbraw/zinc/70/56/02/592705602.db2.gz DKNHJHNUSOFMOS-MRXNPFEDSA-N 1 1 245.366 3.104 10 0 BGAEMO Cc1cccc([C@@H](C[NH3+])N(C)CC2CCCC2)c1 ZINC000110832783 179184307 /nfs/dbraw/zinc/18/43/07/179184307.db2.gz ITSPLIWLGFKTFJ-MRXNPFEDSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1cccc([C@@H](CN)[N@@H+](C)CC2CCCC2)c1 ZINC000110832783 179184304 /nfs/dbraw/zinc/18/43/04/179184304.db2.gz ITSPLIWLGFKTFJ-MRXNPFEDSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1cccc([C@H](C[NH3+])N(C)CC2CCCC2)c1 ZINC000110832785 179199083 /nfs/dbraw/zinc/19/90/83/179199083.db2.gz ITSPLIWLGFKTFJ-INIZCTEOSA-N 1 1 246.398 3.117 10 0 BGAEMO Cc1cccc([C@H](CN)[N@@H+](C)CC2CCCC2)c1 ZINC000110832785 179199082 /nfs/dbraw/zinc/19/90/82/179199082.db2.gz ITSPLIWLGFKTFJ-INIZCTEOSA-N 1 1 246.398 3.117 10 0 BGAEMO C[C@@H](C(=O)c1ccccc1)[N@H+]1CCC[C@H](C)CC1 ZINC000111612989 177104314 /nfs/dbraw/zinc/10/43/14/177104314.db2.gz BGKHDBVTSMCQPH-KBPBESRZSA-N 1 1 245.366 3.380 10 0 BGAEMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000111690099 582817761 /nfs/dbraw/zinc/81/77/61/582817761.db2.gz DKRZAXUPPKXQPD-HNNXBMFYSA-N 1 1 245.366 3.104 10 0 BGAEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000111690102 712688370 /nfs/dbraw/zinc/68/83/70/712688370.db2.gz DKRZAXUPPKXQPD-OAHLLOKOSA-N 1 1 245.366 3.104 10 0 BGAEMO CC(C)(C)CC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000112697188 370345651 /nfs/dbraw/zinc/34/56/51/370345651.db2.gz WOQCFAYBCTWGFG-STQMWFEESA-N 1 1 225.376 3.066 10 0 BGAEMO CC(C)(C)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000112697189 370345913 /nfs/dbraw/zinc/34/59/13/370345913.db2.gz WOQCFAYBCTWGFG-QWHCGFSZSA-N 1 1 225.376 3.066 10 0 BGAEMO CC(C)(C)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000112697420 385844072 /nfs/dbraw/zinc/84/40/72/385844072.db2.gz MOFCCHXAVAUEQY-UHFFFAOYSA-N 1 1 235.375 3.025 10 0 BGAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)c1 ZINC000112697943 385843856 /nfs/dbraw/zinc/84/38/56/385843856.db2.gz VKJLVMAEEQRWBM-CQSZACIVSA-N 1 1 249.402 3.265 10 0 BGAEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(C)(C)C)C2)c1 ZINC000112697944 385843811 /nfs/dbraw/zinc/84/38/11/385843811.db2.gz VKJLVMAEEQRWBM-AWEZNQCLSA-N 1 1 249.402 3.265 10 0 BGAEMO CCCC[N@H+]1CC[C@H]2c3ccccc3C[C@H]2C1 ZINC000113895737 350041179 /nfs/dbraw/zinc/04/11/79/350041179.db2.gz FLQWELWUFIHCPK-GOEBONIOSA-N 1 1 229.367 3.448 10 0 BGAEMO c1ccc(C[NH+]2[C@@H]3CCC=CCC[C@H]32)cc1 ZINC000113897158 368911592 /nfs/dbraw/zinc/91/15/92/368911592.db2.gz KSAUCRXYBYWRHS-HUUCEWRRSA-N 1 1 213.324 3.370 10 0 BGAEMO Cc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000114416070 188166655 /nfs/dbraw/zinc/16/66/55/188166655.db2.gz FXJRDUKXWHFPND-LLVKDONJSA-N 1 1 200.285 3.178 10 0 BGAEMO Cc1cc(C)c(C)c([C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000114417164 343997224 /nfs/dbraw/zinc/99/72/24/343997224.db2.gz MJKFESAZSXXEDI-GFCCVEGCSA-N 1 1 214.312 3.487 10 0 BGAEMO Cc1cc(C)c(C)c([C@H](C)c2[nH]cc[nH+]2)c1 ZINC000114417166 343997102 /nfs/dbraw/zinc/99/71/02/343997102.db2.gz MJKFESAZSXXEDI-LBPRGKRZSA-N 1 1 214.312 3.487 10 0 BGAEMO Cc1cc(C)c([C@@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000114418441 368938561 /nfs/dbraw/zinc/93/85/61/368938561.db2.gz FGRFGWZESIDHNI-GFCCVEGCSA-N 1 1 214.312 3.487 10 0 BGAEMO Cc1cc(C)c([C@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000114418443 368938500 /nfs/dbraw/zinc/93/85/00/368938500.db2.gz FGRFGWZESIDHNI-LBPRGKRZSA-N 1 1 214.312 3.487 10 0 BGAEMO CCc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000114418902 368938059 /nfs/dbraw/zinc/93/80/59/368938059.db2.gz BJPPOKCOYZHBBO-LLVKDONJSA-N 1 1 214.312 3.432 10 0 BGAEMO CCc1cccc([C@H](C)c2[nH]cc[nH+]2)c1C ZINC000114418903 368938122 /nfs/dbraw/zinc/93/81/22/368938122.db2.gz BJPPOKCOYZHBBO-NSHDSACASA-N 1 1 214.312 3.432 10 0 BGAEMO Cc1cc(C)cc([C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000114418992 368939058 /nfs/dbraw/zinc/93/90/58/368939058.db2.gz BFPWWMHMPOMZIB-LLVKDONJSA-N 1 1 200.285 3.178 10 0 BGAEMO Cc1cc(C)cc([C@H](C)c2[nH]cc[nH+]2)c1 ZINC000114418994 368938443 /nfs/dbraw/zinc/93/84/43/368938443.db2.gz BFPWWMHMPOMZIB-NSHDSACASA-N 1 1 200.285 3.178 10 0 BGAEMO Cc1cccc([C@@H](C)c2[nH+]ccn2C)c1C ZINC000114419233 368938366 /nfs/dbraw/zinc/93/83/66/368938366.db2.gz ZSNGQSFPAPXLRZ-GFCCVEGCSA-N 1 1 214.312 3.189 10 0 BGAEMO Cc1cccc([C@H](C)c2[nH+]ccn2C)c1C ZINC000114419235 368938106 /nfs/dbraw/zinc/93/81/06/368938106.db2.gz ZSNGQSFPAPXLRZ-LBPRGKRZSA-N 1 1 214.312 3.189 10 0 BGAEMO C[C@H](c1ccccc1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000114419431 343999518 /nfs/dbraw/zinc/99/95/18/343999518.db2.gz SADBQMMFCUIWDD-FVQBIDKESA-N 1 1 245.366 3.391 10 0 BGAEMO Cc1ccc(C)c([C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000114419863 343999421 /nfs/dbraw/zinc/99/94/21/343999421.db2.gz IWOOTJMGZNQLKN-LLVKDONJSA-N 1 1 200.285 3.178 10 0 BGAEMO Cc1ccc(C)c([C@H](C)c2[nH]cc[nH+]2)c1 ZINC000114419864 343998223 /nfs/dbraw/zinc/99/82/23/343998223.db2.gz IWOOTJMGZNQLKN-NSHDSACASA-N 1 1 200.285 3.178 10 0 BGAEMO CCc1c(C)cccc1[C@@H](C)c1[nH]cc[nH+]1 ZINC000114420434 368938036 /nfs/dbraw/zinc/93/80/36/368938036.db2.gz VCTVSTLVRVQFAW-LLVKDONJSA-N 1 1 214.312 3.432 10 0 BGAEMO CCc1c(C)cccc1[C@H](C)c1[nH]cc[nH+]1 ZINC000114420436 368938800 /nfs/dbraw/zinc/93/88/00/368938800.db2.gz VCTVSTLVRVQFAW-NSHDSACASA-N 1 1 214.312 3.432 10 0 BGAEMO CCc1cccc([C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000114425823 368939870 /nfs/dbraw/zinc/93/98/70/368939870.db2.gz XXYPMTFCAMYPAV-SNVBAGLBSA-N 1 1 200.285 3.124 10 0 BGAEMO CCc1cccc([C@H](C)c2[nH]cc[nH+]2)c1 ZINC000114425825 368939989 /nfs/dbraw/zinc/93/99/89/368939989.db2.gz XXYPMTFCAMYPAV-JTQLQIEISA-N 1 1 200.285 3.124 10 0 BGAEMO C[C@@H](c1[nH]cc[nH+]1)c1cccc(C2CC2)c1 ZINC000114430605 368940034 /nfs/dbraw/zinc/94/00/34/368940034.db2.gz DZEVVAMVBRHUSB-SNVBAGLBSA-N 1 1 212.296 3.439 10 0 BGAEMO C[C@H](c1[nH]cc[nH+]1)c1cccc(C2CC2)c1 ZINC000114430607 368939788 /nfs/dbraw/zinc/93/97/88/368939788.db2.gz DZEVVAMVBRHUSB-JTQLQIEISA-N 1 1 212.296 3.439 10 0 BGAEMO Cc1cccc(C)c1[C@@H](C)c1[nH]cc[nH+]1 ZINC000114430609 368940101 /nfs/dbraw/zinc/94/01/01/368940101.db2.gz FHKOKBPESXIVJE-LLVKDONJSA-N 1 1 200.285 3.178 10 0 BGAEMO Cc1cccc(C)c1[C@H](C)c1[nH]cc[nH+]1 ZINC000114430610 368939806 /nfs/dbraw/zinc/93/98/06/368939806.db2.gz FHKOKBPESXIVJE-NSHDSACASA-N 1 1 200.285 3.178 10 0 BGAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000114483981 183397381 /nfs/dbraw/zinc/39/73/81/183397381.db2.gz PLYSWVVOYNNTQR-OAHLLOKOSA-N 1 1 241.338 3.137 10 0 BGAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000114483983 183396688 /nfs/dbraw/zinc/39/66/88/183396688.db2.gz PLYSWVVOYNNTQR-HNNXBMFYSA-N 1 1 241.338 3.137 10 0 BGAEMO CC(C)(C)CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484475 387547702 /nfs/dbraw/zinc/54/77/02/387547702.db2.gz SISIJOBIEBCGQH-CYBMUJFWSA-N 1 1 235.375 3.373 10 0 BGAEMO CC(C)(C)CC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484479 387547556 /nfs/dbraw/zinc/54/75/56/387547556.db2.gz SISIJOBIEBCGQH-ZDUSSCGKSA-N 1 1 235.375 3.373 10 0 BGAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000114484593 387546914 /nfs/dbraw/zinc/54/69/14/387546914.db2.gz GGQIWMVLRYRNCL-AWEZNQCLSA-N 1 1 233.359 3.127 10 0 BGAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000114484594 387547912 /nfs/dbraw/zinc/54/79/12/387547912.db2.gz GGQIWMVLRYRNCL-CQSZACIVSA-N 1 1 233.359 3.127 10 0 BGAEMO Cc1cc(C)c2c(c1)[C@@H](c1[nH]cc[nH+]1)CCC2 ZINC000114549642 368943481 /nfs/dbraw/zinc/94/34/81/368943481.db2.gz WVYFDOUARWLSTB-ZDUSSCGKSA-N 1 1 226.323 3.495 10 0 BGAEMO Cc1cc(C)c2c(c1)[C@H](c1[nH]cc[nH+]1)CCC2 ZINC000114549643 368943732 /nfs/dbraw/zinc/94/37/32/368943732.db2.gz WVYFDOUARWLSTB-CYBMUJFWSA-N 1 1 226.323 3.495 10 0 BGAEMO c1c[nH+]c(C[C@@H]2CCCc3ccccc32)[nH]1 ZINC000114550514 368943300 /nfs/dbraw/zinc/94/33/00/368943300.db2.gz OKBIQKYCODRUIE-LBPRGKRZSA-N 1 1 212.296 3.072 10 0 BGAEMO c1c[nH+]c(C[C@H]2CCCc3ccccc32)[nH]1 ZINC000114550516 368943666 /nfs/dbraw/zinc/94/36/66/368943666.db2.gz OKBIQKYCODRUIE-GFCCVEGCSA-N 1 1 212.296 3.072 10 0 BGAEMO Cc1cc(C)c(C)c(Cc2[nH]cc[nH+]2)c1C ZINC000114908935 368957337 /nfs/dbraw/zinc/95/73/37/368957337.db2.gz HXEYWKFMKYJXLD-UHFFFAOYSA-N 1 1 214.312 3.234 10 0 BGAEMO CCC[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000114910106 345801109 /nfs/dbraw/zinc/80/11/09/345801109.db2.gz JNUZZXKFWQCXOU-GFCCVEGCSA-N 1 1 200.285 3.342 10 0 BGAEMO CCC[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000114910108 345800931 /nfs/dbraw/zinc/80/09/31/345800931.db2.gz JNUZZXKFWQCXOU-LBPRGKRZSA-N 1 1 200.285 3.342 10 0 BGAEMO CC(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000114910487 345801502 /nfs/dbraw/zinc/80/15/02/345801502.db2.gz WIPARLNGBIDYTM-GFCCVEGCSA-N 1 1 200.285 3.198 10 0 BGAEMO CC(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000114910489 345801945 /nfs/dbraw/zinc/80/19/45/345801945.db2.gz WIPARLNGBIDYTM-LBPRGKRZSA-N 1 1 200.285 3.198 10 0 BGAEMO CCc1cc(OC)cc(CC)c1Cc1[nH]cc[nH+]1 ZINC000114910608 345801887 /nfs/dbraw/zinc/80/18/87/345801887.db2.gz BHCLSQQEZWZKKK-UHFFFAOYSA-N 1 1 244.338 3.134 10 0 BGAEMO Cc1cccc(C2CC2)c1Cc1[nH]cc[nH+]1 ZINC000114911291 368957853 /nfs/dbraw/zinc/95/78/53/368957853.db2.gz FFIKZZAWYXHLOA-UHFFFAOYSA-N 1 1 212.296 3.186 10 0 BGAEMO CC[C@@H](c1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000114914848 346984707 /nfs/dbraw/zinc/98/47/07/346984707.db2.gz YVYUIJYZQSKDJX-GFCCVEGCSA-N 1 1 200.285 3.260 10 0 BGAEMO CC[C@H](c1[nH]cc[nH+]1)c1ccc(C)cc1 ZINC000114914850 345807575 /nfs/dbraw/zinc/80/75/75/345807575.db2.gz YVYUIJYZQSKDJX-LBPRGKRZSA-N 1 1 200.285 3.260 10 0 BGAEMO Cc1ccc2ccccc2c1Cc1[nH]cc[nH+]1 ZINC000114916014 368957357 /nfs/dbraw/zinc/95/73/57/368957357.db2.gz ZATWCBBQZZIDPI-UHFFFAOYSA-N 1 1 222.291 3.462 10 0 BGAEMO c1c[nH+]c(Cc2cccc(-c3ccccn3)c2)[nH]1 ZINC000114917918 368957637 /nfs/dbraw/zinc/95/76/37/368957637.db2.gz ZGZLHLMQPZCTAB-UHFFFAOYSA-N 1 1 235.290 3.063 10 0 BGAEMO CCc1ccccc1[C@@H](C)c1[nH]cc[nH+]1 ZINC000114918352 368957799 /nfs/dbraw/zinc/95/77/99/368957799.db2.gz DOPNYBMCPVAEQH-SNVBAGLBSA-N 1 1 200.285 3.124 10 0 BGAEMO CCc1ccccc1[C@H](C)c1[nH]cc[nH+]1 ZINC000114918353 368958099 /nfs/dbraw/zinc/95/80/99/368958099.db2.gz DOPNYBMCPVAEQH-JTQLQIEISA-N 1 1 200.285 3.124 10 0 BGAEMO c1c[nH+]c(Cc2cccc(-c3cccnc3)c2)[nH]1 ZINC000114918827 368958085 /nfs/dbraw/zinc/95/80/85/368958085.db2.gz AHOGHAPXPMEVMU-UHFFFAOYSA-N 1 1 235.290 3.063 10 0 BGAEMO c1c[nH+]c(Cc2cccc(-c3ccncc3)c2)[nH]1 ZINC000114919600 368957584 /nfs/dbraw/zinc/95/75/84/368957584.db2.gz KQJQYQWGSXDMCY-UHFFFAOYSA-N 1 1 235.290 3.063 10 0 BGAEMO CC1=[NH+]CCc2c1cccc2C(F)(F)F ZINC000115024616 368968648 /nfs/dbraw/zinc/96/86/48/368968648.db2.gz ASOPMMWEGRZTME-UHFFFAOYSA-N 1 1 213.202 3.071 10 0 BGAEMO CC(C)(C)OC(=O)Nc1cc(NC2CC2)cc[nH+]1 ZINC000115229926 344705663 /nfs/dbraw/zinc/70/56/63/344705663.db2.gz BVWZXVLWANFRPF-UHFFFAOYSA-N 1 1 249.314 3.003 10 0 BGAEMO Cc1ccc(Cl)cc1NC(=[NH2+])c1cccnc1 ZINC000116174846 342922151 /nfs/dbraw/zinc/92/21/51/342922151.db2.gz DNABZISMHSRYIB-UHFFFAOYSA-N 1 1 245.713 3.481 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2CCc2ccncc2)c1 ZINC000116288839 398090112 /nfs/dbraw/zinc/09/01/12/398090112.db2.gz YEKBBVIYUSASTN-AWEZNQCLSA-N 1 1 242.322 3.054 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2CCc2ccncc2)c1 ZINC000116288841 398090108 /nfs/dbraw/zinc/09/01/08/398090108.db2.gz YEKBBVIYUSASTN-CQSZACIVSA-N 1 1 242.322 3.054 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000116289019 183398077 /nfs/dbraw/zinc/39/80/77/183398077.db2.gz YXPFVIQBJQPBOZ-CYBMUJFWSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000116289023 183399614 /nfs/dbraw/zinc/39/96/14/183399614.db2.gz YXPFVIQBJQPBOZ-ZDUSSCGKSA-N 1 1 228.295 3.012 10 0 BGAEMO CC(C)=CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116289828 187392737 /nfs/dbraw/zinc/39/27/37/187392737.db2.gz YRFLPXBFXVHOTO-LBPRGKRZSA-N 1 1 205.301 3.383 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2CCc2ccccn2)c1 ZINC000116291845 183392127 /nfs/dbraw/zinc/39/21/27/183392127.db2.gz AYNRVVZHUBQCEI-CQSZACIVSA-N 1 1 242.322 3.054 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2CCc2ccccn2)c1 ZINC000116291849 183392212 /nfs/dbraw/zinc/39/22/12/183392212.db2.gz AYNRVVZHUBQCEI-AWEZNQCLSA-N 1 1 242.322 3.054 10 0 BGAEMO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294485 386932470 /nfs/dbraw/zinc/93/24/70/386932470.db2.gz LAYJMLMODHFKHJ-CYBMUJFWSA-N 1 1 246.310 3.222 10 0 BGAEMO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116294489 386933376 /nfs/dbraw/zinc/93/33/76/386933376.db2.gz LAYJMLMODHFKHJ-ZDUSSCGKSA-N 1 1 246.310 3.222 10 0 BGAEMO CC(C)(C)OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294797 398089541 /nfs/dbraw/zinc/08/95/41/398089541.db2.gz BIMJKTZHWZHAIN-GFCCVEGCSA-N 1 1 237.343 3.232 10 0 BGAEMO CC(C)(C)OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116294799 398090208 /nfs/dbraw/zinc/09/02/08/398090208.db2.gz BIMJKTZHWZHAIN-LBPRGKRZSA-N 1 1 237.343 3.232 10 0 BGAEMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000116295942 180142701 /nfs/dbraw/zinc/14/27/01/180142701.db2.gz BZCMCQHKLBFECB-GFCCVEGCSA-N 1 1 248.351 3.382 10 0 BGAEMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccco2)s1 ZINC000116295945 180142978 /nfs/dbraw/zinc/14/29/78/180142978.db2.gz BZCMCQHKLBFECB-LBPRGKRZSA-N 1 1 248.351 3.382 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000116296270 386932997 /nfs/dbraw/zinc/93/29/97/386932997.db2.gz IMDBQJHBGITTKQ-CYBMUJFWSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000116296273 386932575 /nfs/dbraw/zinc/93/25/75/386932575.db2.gz IMDBQJHBGITTKQ-ZDUSSCGKSA-N 1 1 228.295 3.012 10 0 BGAEMO CC(C)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116298110 386933477 /nfs/dbraw/zinc/93/34/77/386933477.db2.gz UGROZWKSDRDAKD-GFCCVEGCSA-N 1 1 207.317 3.463 10 0 BGAEMO CC(C)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116298115 386932192 /nfs/dbraw/zinc/93/21/92/386932192.db2.gz UGROZWKSDRDAKD-LBPRGKRZSA-N 1 1 207.317 3.463 10 0 BGAEMO CC(C)OCCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404410 167211838 /nfs/dbraw/zinc/21/18/38/167211838.db2.gz WNKJDXHYFQCZFV-CYBMUJFWSA-N 1 1 237.343 3.232 10 0 BGAEMO CC(C)OCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404412 167212308 /nfs/dbraw/zinc/21/23/08/167212308.db2.gz WNKJDXHYFQCZFV-ZDUSSCGKSA-N 1 1 237.343 3.232 10 0 BGAEMO Cl/C=C/C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404574 398089607 /nfs/dbraw/zinc/08/96/07/398089607.db2.gz RDKXZNOAJGTANN-YVGDHZEHSA-N 1 1 211.692 3.169 10 0 BGAEMO Cl/C=C/C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404577 398089484 /nfs/dbraw/zinc/08/94/84/398089484.db2.gz RDKXZNOAJGTANN-QLCVYAKKSA-N 1 1 211.692 3.169 10 0 BGAEMO COCCCCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404752 174178555 /nfs/dbraw/zinc/17/85/55/174178555.db2.gz YEYXEFCEUDOCTM-CYBMUJFWSA-N 1 1 237.343 3.233 10 0 BGAEMO COCCCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404756 174178222 /nfs/dbraw/zinc/17/82/22/174178222.db2.gz YEYXEFCEUDOCTM-ZDUSSCGKSA-N 1 1 237.343 3.233 10 0 BGAEMO C[C@H](C[N@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000116878690 384157061 /nfs/dbraw/zinc/15/70/61/384157061.db2.gz ZBUHJNYDRNRJBM-CHWSQXEVSA-N 1 1 235.396 3.227 10 0 BGAEMO C[C@H](C[N@H+]1CCS[C@@H](C)C1)c1ccccc1 ZINC000116878692 388071775 /nfs/dbraw/zinc/07/17/75/388071775.db2.gz ZBUHJNYDRNRJBM-OLZOCXBDSA-N 1 1 235.396 3.227 10 0 BGAEMO CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)o2)cn1 ZINC000116912382 385309023 /nfs/dbraw/zinc/30/90/23/385309023.db2.gz ZIOSICDAGZUUAB-LBPRGKRZSA-N 1 1 247.342 3.045 10 0 BGAEMO CCCn1cc(C[NH2+][C@H](C)c2ccc(C)o2)cn1 ZINC000116912384 385308025 /nfs/dbraw/zinc/30/80/25/385308025.db2.gz ZIOSICDAGZUUAB-GFCCVEGCSA-N 1 1 247.342 3.045 10 0 BGAEMO COc1c(C)cc(-c2ccc(N)[nH+]c2C)cc1C ZINC000116930485 631965046 /nfs/dbraw/zinc/96/50/46/631965046.db2.gz ACKUMIZRROCOMW-UHFFFAOYSA-N 1 1 242.322 3.265 10 0 BGAEMO C[C@@H](C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000116993751 385802244 /nfs/dbraw/zinc/80/22/44/385802244.db2.gz CGMCTMYDTMSDSX-GOEBONIOSA-N 1 1 247.382 3.027 10 0 BGAEMO C[C@H](C[N@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000116993752 385803828 /nfs/dbraw/zinc/80/38/28/385803828.db2.gz CGMCTMYDTMSDSX-GDBMZVCRSA-N 1 1 247.382 3.027 10 0 BGAEMO CC(C)(C)c1ccc2c(c1)CC(F)(F)[C@@H]2[NH3+] ZINC000117326078 342969861 /nfs/dbraw/zinc/96/98/61/342969861.db2.gz VSHYKOHIJXNBSA-LLVKDONJSA-N 1 1 225.282 3.175 10 0 BGAEMO CC(C)(C)c1ccc2c(c1)CC(F)(F)[C@H]2[NH3+] ZINC000117326079 342969617 /nfs/dbraw/zinc/96/96/17/342969617.db2.gz VSHYKOHIJXNBSA-NSHDSACASA-N 1 1 225.282 3.175 10 0 BGAEMO CCCCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000117876679 387030707 /nfs/dbraw/zinc/03/07/07/387030707.db2.gz PKASEVOYZBUKSO-CQSZACIVSA-N 1 1 247.386 3.006 10 0 BGAEMO CCCCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000117876683 387029993 /nfs/dbraw/zinc/02/99/93/387029993.db2.gz PKASEVOYZBUKSO-AWEZNQCLSA-N 1 1 247.386 3.006 10 0 BGAEMO CCCCC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000117880693 387549706 /nfs/dbraw/zinc/54/97/06/387549706.db2.gz AAGXOHZLDNEVHP-CQSZACIVSA-N 1 1 249.402 3.364 10 0 BGAEMO CCCCC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000117880696 387549352 /nfs/dbraw/zinc/54/93/52/387549352.db2.gz AAGXOHZLDNEVHP-AWEZNQCLSA-N 1 1 249.402 3.364 10 0 BGAEMO CCCCC[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000117880721 387550202 /nfs/dbraw/zinc/55/02/02/387550202.db2.gz WIYNRQZPCLSEME-AWEZNQCLSA-N 1 1 249.402 3.273 10 0 BGAEMO CCCCC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000117880724 387549685 /nfs/dbraw/zinc/54/96/85/387549685.db2.gz WIYNRQZPCLSEME-CQSZACIVSA-N 1 1 249.402 3.273 10 0 BGAEMO CCCCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000117880748 387550278 /nfs/dbraw/zinc/55/02/78/387550278.db2.gz HABFEWGYZOCHQQ-AWEZNQCLSA-N 1 1 235.375 3.019 10 0 BGAEMO CCCCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000117880751 387550469 /nfs/dbraw/zinc/55/04/69/387550469.db2.gz HABFEWGYZOCHQQ-CQSZACIVSA-N 1 1 235.375 3.019 10 0 BGAEMO CCCCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000117881000 387030038 /nfs/dbraw/zinc/03/00/38/387030038.db2.gz YIWUHVOTSFOVHJ-UHFFFAOYSA-N 1 1 249.402 3.092 10 0 BGAEMO CCCCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000117883792 387029930 /nfs/dbraw/zinc/02/99/30/387029930.db2.gz AHUNNOLIZSNDON-CYBMUJFWSA-N 1 1 221.348 3.127 10 0 BGAEMO CCCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000117883795 387030930 /nfs/dbraw/zinc/03/09/30/387030930.db2.gz AHUNNOLIZSNDON-ZDUSSCGKSA-N 1 1 221.348 3.127 10 0 BGAEMO C[N@H+]1CCc2[nH]c3ccc(C(C)(C)C)cc3c2C1 ZINC000118261199 342678270 /nfs/dbraw/zinc/67/82/70/342678270.db2.gz PIDKTJMMBYBYOX-UHFFFAOYSA-N 1 1 242.366 3.453 10 0 BGAEMO C[N@@H+]1CCc2[nH]c3ccc(C(C)(C)C)cc3c2C1 ZINC000118261199 342678269 /nfs/dbraw/zinc/67/82/69/342678269.db2.gz PIDKTJMMBYBYOX-UHFFFAOYSA-N 1 1 242.366 3.453 10 0 BGAEMO CCn1ccnc1C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000120088652 387178841 /nfs/dbraw/zinc/17/88/41/387178841.db2.gz RAIBSZJIWLQKCL-UONOGXRCSA-N 1 1 249.402 3.304 10 0 BGAEMO CCn1ccnc1C[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000120088780 387178078 /nfs/dbraw/zinc/17/80/78/387178078.db2.gz RAIBSZJIWLQKCL-KBPBESRZSA-N 1 1 249.402 3.304 10 0 BGAEMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C1CCCC1 ZINC000120093941 176018112 /nfs/dbraw/zinc/01/81/12/176018112.db2.gz AOXWAPSZBXXHPK-NSHDSACASA-N 1 1 219.328 3.328 10 0 BGAEMO C[C@H](c1cccc(O)c1)[N@@H+](C)C1CCCC1 ZINC000120094086 177036043 /nfs/dbraw/zinc/03/60/43/177036043.db2.gz AOXWAPSZBXXHPK-LLVKDONJSA-N 1 1 219.328 3.328 10 0 BGAEMO CCc1nccn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120146499 172029430 /nfs/dbraw/zinc/02/94/30/172029430.db2.gz FGZDTKMEMYTYMZ-CQSZACIVSA-N 1 1 247.386 3.025 10 0 BGAEMO CCc1nccn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120146664 172029937 /nfs/dbraw/zinc/02/99/37/172029937.db2.gz FGZDTKMEMYTYMZ-AWEZNQCLSA-N 1 1 247.386 3.025 10 0 BGAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120596995 387255679 /nfs/dbraw/zinc/25/56/79/387255679.db2.gz QPWLGIYTCRZGQL-BXUZGUMPSA-N 1 1 249.402 3.220 10 0 BGAEMO CC[C@H](C)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120597143 171280251 /nfs/dbraw/zinc/28/02/51/171280251.db2.gz QPWLGIYTCRZGQL-SMDDNHRTSA-N 1 1 249.402 3.220 10 0 BGAEMO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC000120601326 172029069 /nfs/dbraw/zinc/02/90/69/172029069.db2.gz JUDDSRGPKIKPLR-UONOGXRCSA-N 1 1 249.402 3.129 10 0 BGAEMO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC000120601492 172030136 /nfs/dbraw/zinc/03/01/36/172030136.db2.gz JUDDSRGPKIKPLR-KBPBESRZSA-N 1 1 249.402 3.129 10 0 BGAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000121165782 387304308 /nfs/dbraw/zinc/30/43/08/387304308.db2.gz LIGFCMVUXRDRPP-VXGBXAGGSA-N 1 1 207.317 3.463 10 0 BGAEMO CC[C@H](C)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000121165955 171281245 /nfs/dbraw/zinc/28/12/45/171281245.db2.gz LIGFCMVUXRDRPP-NWDGAFQWSA-N 1 1 207.317 3.463 10 0 BGAEMO CCSCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000121177069 387306532 /nfs/dbraw/zinc/30/65/32/387306532.db2.gz MQXJPHRBJGJOGD-LLVKDONJSA-N 1 1 225.357 3.170 10 0 BGAEMO CCSCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000121177261 387307667 /nfs/dbraw/zinc/30/76/67/387307667.db2.gz MQXJPHRBJGJOGD-NSHDSACASA-N 1 1 225.357 3.170 10 0 BGAEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000123283422 384547648 /nfs/dbraw/zinc/54/76/48/384547648.db2.gz PDBMXBAHBWVJJZ-YPMHNXCESA-N 1 1 239.384 3.046 10 0 BGAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000123283623 171177092 /nfs/dbraw/zinc/17/70/92/171177092.db2.gz PDBMXBAHBWVJJZ-DGCLKSJQSA-N 1 1 239.384 3.046 10 0 BGAEMO CC[C@](C)(O)C[N@@H+](C)CCCCc1ccccc1 ZINC000123416083 324395321 /nfs/dbraw/zinc/39/53/21/324395321.db2.gz KJUBFXJYMRHLTH-INIZCTEOSA-N 1 1 249.398 3.102 10 0 BGAEMO CC[C@@](C)(O)C[N@@H+](C)CCCCc1ccccc1 ZINC000123416288 324395651 /nfs/dbraw/zinc/39/56/51/324395651.db2.gz KJUBFXJYMRHLTH-MRXNPFEDSA-N 1 1 249.398 3.102 10 0 BGAEMO CCc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000123706355 171794530 /nfs/dbraw/zinc/79/45/30/171794530.db2.gz ZJSPBCNIQGBELC-MRXNPFEDSA-N 1 1 248.414 3.054 10 0 BGAEMO CC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000123854894 345019526 /nfs/dbraw/zinc/01/95/26/345019526.db2.gz HLBLJEMBOHUSEG-UHFFFAOYSA-N 1 1 226.323 3.219 10 0 BGAEMO C[N@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000123985444 384600524 /nfs/dbraw/zinc/60/05/24/384600524.db2.gz VWTSAZIKAJVKHW-UHFFFAOYSA-N 1 1 226.323 3.077 10 0 BGAEMO CCn1cccc1C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000124042588 172209937 /nfs/dbraw/zinc/20/99/37/172209937.db2.gz QSKSITTVSBVPQK-NSHDSACASA-N 1 1 249.383 3.124 10 0 BGAEMO CCn1cccc1C[NH2+][C@H](C)c1ncc(C)s1 ZINC000124042833 172209975 /nfs/dbraw/zinc/20/99/75/172209975.db2.gz QSKSITTVSBVPQK-LLVKDONJSA-N 1 1 249.383 3.124 10 0 BGAEMO CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000124146917 169081017 /nfs/dbraw/zinc/08/10/17/169081017.db2.gz ILNSSKNSLGJZLY-UHFFFAOYSA-N 1 1 214.312 3.077 10 0 BGAEMO CC[N@@H+](Cc1ccc2ccccc2n1)C(C)C ZINC000124277424 345035605 /nfs/dbraw/zinc/03/56/05/345035605.db2.gz ZAUOZONSYKKMJZ-UHFFFAOYSA-N 1 1 228.339 3.465 10 0 BGAEMO Cc1nc(C)c(CNc2cc(C)cc[nH+]2)s1 ZINC000124517742 386087790 /nfs/dbraw/zinc/08/77/90/386087790.db2.gz YVRCRPXOMZMDLY-UHFFFAOYSA-N 1 1 233.340 3.075 10 0 BGAEMO Cc1nc(C)c(CNc2cccc(C)[nH+]2)s1 ZINC000124527039 179151861 /nfs/dbraw/zinc/15/18/61/179151861.db2.gz QVTLNHXKMJALFO-UHFFFAOYSA-N 1 1 233.340 3.075 10 0 BGAEMO COCCC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124631079 174229256 /nfs/dbraw/zinc/22/92/56/174229256.db2.gz OIKCZGCXJLNYAR-ZDUSSCGKSA-N 1 1 237.343 3.152 10 0 BGAEMO COCCC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124631285 174228567 /nfs/dbraw/zinc/22/85/67/174228567.db2.gz OIKCZGCXJLNYAR-CYBMUJFWSA-N 1 1 237.343 3.152 10 0 BGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCO2)o1 ZINC000124716849 488082628 /nfs/dbraw/zinc/08/26/28/488082628.db2.gz OHGACOFXTFAQFM-KBPBESRZSA-N 1 1 249.354 3.294 10 0 BGAEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCO2)o1 ZINC000124717099 488082582 /nfs/dbraw/zinc/08/25/82/488082582.db2.gz OHGACOFXTFAQFM-UONOGXRCSA-N 1 1 249.354 3.294 10 0 BGAEMO CCOCC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124732646 170397659 /nfs/dbraw/zinc/39/76/59/170397659.db2.gz KFXUBXAQMVBDKV-CYBMUJFWSA-N 1 1 237.343 3.152 10 0 BGAEMO CCOCC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124732859 170397588 /nfs/dbraw/zinc/39/75/88/170397588.db2.gz KFXUBXAQMVBDKV-ZDUSSCGKSA-N 1 1 237.343 3.152 10 0 BGAEMO CCc1ccc([C@@H]2CCCC[N@@H+]2CC)o1 ZINC000124811910 387634956 /nfs/dbraw/zinc/63/49/56/387634956.db2.gz WHFGHNLNISYDFH-LBPRGKRZSA-N 1 1 207.317 3.389 10 0 BGAEMO CCc1ccc([C@H]2CCCC[N@@H+]2CC)o1 ZINC000124812011 387633781 /nfs/dbraw/zinc/63/37/81/387633781.db2.gz WHFGHNLNISYDFH-GFCCVEGCSA-N 1 1 207.317 3.389 10 0 BGAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCOC)o1 ZINC000124820357 387634575 /nfs/dbraw/zinc/63/45/75/387634575.db2.gz GRYQPCBNNAKDTL-ZDUSSCGKSA-N 1 1 237.343 3.015 10 0 BGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCOC)o1 ZINC000124820612 387634720 /nfs/dbraw/zinc/63/47/20/387634720.db2.gz GRYQPCBNNAKDTL-CYBMUJFWSA-N 1 1 237.343 3.015 10 0 BGAEMO CC[N@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000124906588 345057692 /nfs/dbraw/zinc/05/76/92/345057692.db2.gz JPEYJGDVWNSMDJ-UHFFFAOYSA-N 1 1 240.350 3.467 10 0 BGAEMO CC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000125143756 171010881 /nfs/dbraw/zinc/01/08/81/171010881.db2.gz DTLNJOQFVPDSJV-CYBMUJFWSA-N 1 1 240.350 3.467 10 0 BGAEMO CC[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000125143984 387645982 /nfs/dbraw/zinc/64/59/82/387645982.db2.gz DTLNJOQFVPDSJV-ZDUSSCGKSA-N 1 1 240.350 3.467 10 0 BGAEMO COCc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000125200482 386236239 /nfs/dbraw/zinc/23/62/39/386236239.db2.gz UISHRNDZRQWQIR-LLVKDONJSA-N 1 1 249.310 3.178 10 0 BGAEMO COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000125200662 386236128 /nfs/dbraw/zinc/23/61/28/386236128.db2.gz UISHRNDZRQWQIR-NSHDSACASA-N 1 1 249.310 3.178 10 0 BGAEMO C[C@@H]1CCCN(CCC2CCCCC2)[C@@H]1C[NH3+] ZINC000125283340 176098775 /nfs/dbraw/zinc/09/87/75/176098775.db2.gz ICIQOQXYVAMRMK-UKRRQHHQSA-N 1 1 238.419 3.016 10 0 BGAEMO C[C@@H]1CCC[N@@H+](CCC2CCCCC2)[C@@H]1CN ZINC000125283340 176098772 /nfs/dbraw/zinc/09/87/72/176098772.db2.gz ICIQOQXYVAMRMK-UKRRQHHQSA-N 1 1 238.419 3.016 10 0 BGAEMO C[C@H]1CCCN(CCC2CCCCC2)[C@@H]1C[NH3+] ZINC000125283566 177097564 /nfs/dbraw/zinc/09/75/64/177097564.db2.gz ICIQOQXYVAMRMK-DZGCQCFKSA-N 1 1 238.419 3.016 10 0 BGAEMO C[C@H]1CCC[N@@H+](CCC2CCCCC2)[C@@H]1CN ZINC000125283566 177097562 /nfs/dbraw/zinc/09/75/62/177097562.db2.gz ICIQOQXYVAMRMK-DZGCQCFKSA-N 1 1 238.419 3.016 10 0 BGAEMO COc1cc(C)c(-c2ccc(N)[nH+]c2C)cc1C ZINC000125376045 411368416 /nfs/dbraw/zinc/36/84/16/411368416.db2.gz JKVUUWQHZHVJBH-UHFFFAOYSA-N 1 1 242.322 3.265 10 0 BGAEMO COc1cc(C)c(-c2c[nH+]c(N)cc2C)cc1C ZINC000125381967 411368535 /nfs/dbraw/zinc/36/85/35/411368535.db2.gz DKWPOZXLXBSLKN-UHFFFAOYSA-N 1 1 242.322 3.265 10 0 BGAEMO FCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000125612225 384734004 /nfs/dbraw/zinc/73/40/04/384734004.db2.gz SLFUFQFGDCFJOR-JTQLQIEISA-N 1 1 228.336 3.030 10 0 BGAEMO FCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000125612454 384734321 /nfs/dbraw/zinc/73/43/21/384734321.db2.gz SLFUFQFGDCFJOR-SNVBAGLBSA-N 1 1 228.336 3.030 10 0 BGAEMO Cc1[nH+]c2ccc(Br)c(C)n2c1C ZINC000126821578 344116160 /nfs/dbraw/zinc/11/61/60/344116160.db2.gz YDPYRBLKUDAIKR-UHFFFAOYSA-N 1 1 239.116 3.022 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)cn2)o1 ZINC000126951166 388709092 /nfs/dbraw/zinc/70/90/92/388709092.db2.gz IUILMDITRRCUDC-LBPRGKRZSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cn2)o1 ZINC000126951390 388709227 /nfs/dbraw/zinc/70/92/27/388709227.db2.gz IUILMDITRRCUDC-GFCCVEGCSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1cccc(N[C@H]2CCc3ccccc32)[nH+]1 ZINC000127610968 179157915 /nfs/dbraw/zinc/15/79/15/179157915.db2.gz FBAPHLZQOOEKNL-AWEZNQCLSA-N 1 1 224.307 3.489 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127649050 358565178 /nfs/dbraw/zinc/56/51/78/358565178.db2.gz WZSOUTYMHKABKM-NSHDSACASA-N 1 1 238.400 3.466 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127649273 358565220 /nfs/dbraw/zinc/56/52/20/358565220.db2.gz WZSOUTYMHKABKM-LLVKDONJSA-N 1 1 238.400 3.466 10 0 BGAEMO Cc1ccccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127732828 179307219 /nfs/dbraw/zinc/30/72/19/179307219.db2.gz SWUFXKUTTZSSQD-ZIAGYGMSSA-N 1 1 230.355 3.034 10 0 BGAEMO Cc1ccccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127733042 179306870 /nfs/dbraw/zinc/30/68/70/179306870.db2.gz SWUFXKUTTZSSQD-UONOGXRCSA-N 1 1 230.355 3.034 10 0 BGAEMO Cc1ccccc1[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000127737260 179317437 /nfs/dbraw/zinc/31/74/37/179317437.db2.gz WMVYMNAPYNNSOF-CHWSQXEVSA-N 1 1 235.396 3.493 10 0 BGAEMO Cc1ccccc1[C@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000127737471 179336333 /nfs/dbraw/zinc/33/63/33/179336333.db2.gz WMVYMNAPYNNSOF-OLZOCXBDSA-N 1 1 235.396 3.493 10 0 BGAEMO CCC[C@H](C)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128422499 388756105 /nfs/dbraw/zinc/75/61/05/388756105.db2.gz ZOYSUFOGVCOQGE-RRFJBIMHSA-N 1 1 239.403 3.050 10 0 BGAEMO CC(C)(C)CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128458118 388761991 /nfs/dbraw/zinc/76/19/91/388761991.db2.gz NYSQICGEQIMCTD-UKRRQHHQSA-N 1 1 239.403 3.050 10 0 BGAEMO CC(C)(C)CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128458368 388762161 /nfs/dbraw/zinc/76/21/61/388762161.db2.gz NYSQICGEQIMCTD-HIFRSBDPSA-N 1 1 239.403 3.050 10 0 BGAEMO CCCCCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128516740 591100339 /nfs/dbraw/zinc/10/03/39/591100339.db2.gz JBMFEEODRUJIGR-HUUCEWRRSA-N 1 1 239.403 3.194 10 0 BGAEMO CCCCCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128516878 591100190 /nfs/dbraw/zinc/10/01/90/591100190.db2.gz JBMFEEODRUJIGR-CABCVRRESA-N 1 1 239.403 3.194 10 0 BGAEMO Cc1cc(NCCCCC(F)(F)F)nc(C)[nH+]1 ZINC000128960893 178158836 /nfs/dbraw/zinc/15/88/36/178158836.db2.gz HXLZGTQMCJJUCD-UHFFFAOYSA-N 1 1 247.264 3.238 10 0 BGAEMO Clc1c[nH+]ccc1NC1CCSCC1 ZINC000129589018 353697929 /nfs/dbraw/zinc/69/79/29/353697929.db2.gz HSBBUKAMUABTQW-UHFFFAOYSA-N 1 1 228.748 3.043 10 0 BGAEMO Cc1[nH+]c(N)ccc1-c1ccccc1OC(C)C ZINC000129699043 640606043 /nfs/dbraw/zinc/60/60/43/640606043.db2.gz CMMVSMFWUBIGLF-UHFFFAOYSA-N 1 1 242.322 3.426 10 0 BGAEMO Cc1cc(-c2ccc(OC(C)C)cc2)c[nH+]c1N ZINC000129732872 411382374 /nfs/dbraw/zinc/38/23/74/411382374.db2.gz IYCUIBDJOMILPS-UHFFFAOYSA-N 1 1 242.322 3.426 10 0 BGAEMO c1[nH+]c2c(n1C[C@H]1Cc3ccccc31)CCCC2 ZINC000130425298 387780398 /nfs/dbraw/zinc/78/03/98/387780398.db2.gz OYKSAZLBEFANEY-CYBMUJFWSA-N 1 1 238.334 3.102 10 0 BGAEMO c1[nH+]c2c(n1C[C@@H]1Cc3ccccc31)CCCC2 ZINC000130425508 183450284 /nfs/dbraw/zinc/45/02/84/183450284.db2.gz OYKSAZLBEFANEY-ZDUSSCGKSA-N 1 1 238.334 3.102 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccncc2)c1 ZINC000130626306 358637203 /nfs/dbraw/zinc/63/72/03/358637203.db2.gz ZWENBPVOMYAADF-ZDUSSCGKSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccncc2)c1 ZINC000130626515 358637554 /nfs/dbraw/zinc/63/75/54/358637554.db2.gz ZWENBPVOMYAADF-CYBMUJFWSA-N 1 1 228.295 3.012 10 0 BGAEMO CSCc1nc2cc(C)cc(C)c2[nH]1 ZINC000131116760 371560595 /nfs/dbraw/zinc/56/05/95/371560595.db2.gz BSGGGXBPXQPGRE-UHFFFAOYSA-N 1 1 206.314 3.043 10 0 BGAEMO C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCS1 ZINC000131333418 358671711 /nfs/dbraw/zinc/67/17/11/358671711.db2.gz LQFBBYTUCCAWLM-LLVKDONJSA-N 1 1 247.363 3.370 10 0 BGAEMO C[C@H]1C[N@@H+](Cc2coc3ccccc23)CCS1 ZINC000131333622 358671598 /nfs/dbraw/zinc/67/15/98/358671598.db2.gz LQFBBYTUCCAWLM-NSHDSACASA-N 1 1 247.363 3.370 10 0 BGAEMO C[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCS1 ZINC000131424806 177265511 /nfs/dbraw/zinc/26/55/11/177265511.db2.gz UNDNNDQKZUYPCD-NSHDSACASA-N 1 1 246.379 3.105 10 0 BGAEMO [NH3+]CC(F)(F)c1c(Cl)cccc1Cl ZINC000131741285 371663743 /nfs/dbraw/zinc/66/37/43/371663743.db2.gz FRGZVHFKSSYTIW-UHFFFAOYSA-N 1 1 226.053 3.044 10 0 BGAEMO [NH3+]CC(F)(F)c1ccc(Cl)cc1Cl ZINC000131742155 343184414 /nfs/dbraw/zinc/18/44/14/343184414.db2.gz KUNVGSUBZXBJJZ-UHFFFAOYSA-N 1 1 226.053 3.044 10 0 BGAEMO [NH3+]CC(F)(F)c1ccc(Cl)c(Cl)c1 ZINC000131744356 371666143 /nfs/dbraw/zinc/66/61/43/371666143.db2.gz HWLWNYWMVQPECP-UHFFFAOYSA-N 1 1 226.053 3.044 10 0 BGAEMO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000132052206 358705842 /nfs/dbraw/zinc/70/58/42/358705842.db2.gz CHVMIZSFMGJOKU-SOUVJXGZSA-N 1 1 232.371 3.155 10 0 BGAEMO CC[C@H]([NH2+][C@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000132052538 358705643 /nfs/dbraw/zinc/70/56/43/358705643.db2.gz CHVMIZSFMGJOKU-KKUMJFAQSA-N 1 1 232.371 3.155 10 0 BGAEMO CC(C)c1c[nH+]c2ccc(Br)cn21 ZINC000132414760 371817058 /nfs/dbraw/zinc/81/70/58/371817058.db2.gz AVBVOWKKOVPSBP-UHFFFAOYSA-N 1 1 239.116 3.220 10 0 BGAEMO CC[C@@H](C)C(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000132987969 371963977 /nfs/dbraw/zinc/96/39/77/371963977.db2.gz UUAKZBDZEODMAK-CYBMUJFWSA-N 1 1 233.355 3.124 10 0 BGAEMO CC[C@H](C)C(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000132988174 371963596 /nfs/dbraw/zinc/96/35/96/371963596.db2.gz UUAKZBDZEODMAK-ZDUSSCGKSA-N 1 1 233.355 3.124 10 0 BGAEMO C[C@@H]1CC[N@H+]1Cc1cccc(Br)c1 ZINC000133334308 398324353 /nfs/dbraw/zinc/32/43/53/398324353.db2.gz AFRMGEKKIFLSKB-SECBINFHSA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@@H]1CC[N@@H+]1Cc1cccc(Br)c1 ZINC000133334308 398324352 /nfs/dbraw/zinc/32/43/52/398324352.db2.gz AFRMGEKKIFLSKB-SECBINFHSA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@H]1CC[N@H+]1Cc1cccc(Br)c1 ZINC000133334510 398324428 /nfs/dbraw/zinc/32/44/28/398324428.db2.gz AFRMGEKKIFLSKB-VIFPVBQESA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@H]1CC[N@@H+]1Cc1cccc(Br)c1 ZINC000133334510 398324427 /nfs/dbraw/zinc/32/44/27/398324427.db2.gz AFRMGEKKIFLSKB-VIFPVBQESA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@@H]1CC[N@H+]1Cc1ccccc1Br ZINC000133339174 398324473 /nfs/dbraw/zinc/32/44/73/398324473.db2.gz IQAJSYOBTCBEGL-SECBINFHSA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@@H]1CC[N@@H+]1Cc1ccccc1Br ZINC000133339174 398324471 /nfs/dbraw/zinc/32/44/71/398324471.db2.gz IQAJSYOBTCBEGL-SECBINFHSA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@H]1CC[N@H+]1Cc1ccccc1Br ZINC000133339376 398324358 /nfs/dbraw/zinc/32/43/58/398324358.db2.gz IQAJSYOBTCBEGL-VIFPVBQESA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@H]1CC[N@@H+]1Cc1ccccc1Br ZINC000133339376 398324356 /nfs/dbraw/zinc/32/43/56/398324356.db2.gz IQAJSYOBTCBEGL-VIFPVBQESA-N 1 1 240.144 3.043 10 0 BGAEMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(C)(C)C ZINC000133370531 191039833 /nfs/dbraw/zinc/03/98/33/191039833.db2.gz ZFJPFIONRCAHOL-LBPRGKRZSA-N 1 1 235.371 3.301 10 0 BGAEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(C)(C)C ZINC000133370743 191039982 /nfs/dbraw/zinc/03/99/82/191039982.db2.gz ZFJPFIONRCAHOL-GFCCVEGCSA-N 1 1 235.371 3.301 10 0 BGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CCCF)o1 ZINC000133526491 384298294 /nfs/dbraw/zinc/29/82/94/384298294.db2.gz VGSKGIVRQDDENW-LBPRGKRZSA-N 1 1 225.307 3.475 10 0 BGAEMO Cc1ccc([C@H]2CCCC[N@H+]2CCCF)o1 ZINC000133526692 384297980 /nfs/dbraw/zinc/29/79/80/384297980.db2.gz VGSKGIVRQDDENW-GFCCVEGCSA-N 1 1 225.307 3.475 10 0 BGAEMO C[C@]1(c2nc(C3CCCCC3)no2)CCCC[NH2+]1 ZINC000133838925 583472017 /nfs/dbraw/zinc/47/20/17/583472017.db2.gz RBXUNZWPNGYPCU-CQSZACIVSA-N 1 1 249.358 3.106 10 0 BGAEMO C[C@@]1(c2nc(C3CCCCC3)no2)CCCC[NH2+]1 ZINC000133839147 591862218 /nfs/dbraw/zinc/86/22/18/591862218.db2.gz RBXUNZWPNGYPCU-AWEZNQCLSA-N 1 1 249.358 3.106 10 0 BGAEMO CCc1cc(N[C@@H](C)C(C)(C)C)nc(C)[nH+]1 ZINC000133970066 386391047 /nfs/dbraw/zinc/39/10/47/386391047.db2.gz KMXMTCBNJAJYGW-VIFPVBQESA-N 1 1 221.348 3.194 10 0 BGAEMO CCc1cc(N[C@H](C)C(C)(C)C)nc(C)[nH+]1 ZINC000133970272 171769091 /nfs/dbraw/zinc/76/90/91/171769091.db2.gz KMXMTCBNJAJYGW-SECBINFHSA-N 1 1 221.348 3.194 10 0 BGAEMO CCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134824276 325377996 /nfs/dbraw/zinc/37/79/96/325377996.db2.gz UAUZUCXWMVSJCW-CQSZACIVSA-N 1 1 249.329 3.273 10 0 BGAEMO CCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134824299 325377850 /nfs/dbraw/zinc/37/78/50/325377850.db2.gz UAUZUCXWMVSJCW-AWEZNQCLSA-N 1 1 249.329 3.273 10 0 BGAEMO Cc1[nH+]cn(Cc2ccc3ccccc3n2)c1C ZINC000134836421 325378229 /nfs/dbraw/zinc/37/82/29/325378229.db2.gz CYMCOWKYBHOCTN-UHFFFAOYSA-N 1 1 237.306 3.096 10 0 BGAEMO Cc1ccoc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000135130344 384415212 /nfs/dbraw/zinc/41/52/12/384415212.db2.gz WKRUTLHFLGXTQL-CYBMUJFWSA-N 1 1 243.306 3.201 10 0 BGAEMO Cc1ccoc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000135130361 384416068 /nfs/dbraw/zinc/41/60/68/384416068.db2.gz WKRUTLHFLGXTQL-ZDUSSCGKSA-N 1 1 243.306 3.201 10 0 BGAEMO C[N@@H+](CCC1CC1)Cc1ccc2ccccc2n1 ZINC000135309374 358831425 /nfs/dbraw/zinc/83/14/25/358831425.db2.gz GEQHRQRUKIVKRM-UHFFFAOYSA-N 1 1 240.350 3.467 10 0 BGAEMO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000135777355 345787585 /nfs/dbraw/zinc/78/75/85/345787585.db2.gz AFDYTIGGLZWUBT-JTQLQIEISA-N 1 1 214.312 3.107 10 0 BGAEMO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C ZINC000135777355 345787582 /nfs/dbraw/zinc/78/75/82/345787582.db2.gz AFDYTIGGLZWUBT-JTQLQIEISA-N 1 1 214.312 3.107 10 0 BGAEMO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000135777396 345788112 /nfs/dbraw/zinc/78/81/12/345788112.db2.gz AFDYTIGGLZWUBT-SNVBAGLBSA-N 1 1 214.312 3.107 10 0 BGAEMO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1C ZINC000135777396 345788109 /nfs/dbraw/zinc/78/81/09/345788109.db2.gz AFDYTIGGLZWUBT-SNVBAGLBSA-N 1 1 214.312 3.107 10 0 BGAEMO O[C@H]1CCC2=C(CCC[N@H+]2Cc2ccccc2)C1 ZINC000136507234 345814680 /nfs/dbraw/zinc/81/46/80/345814680.db2.gz KMWGCUKJPXKLID-HNNXBMFYSA-N 1 1 243.350 3.081 10 0 BGAEMO O[C@@H]1CCC2=C(CCC[N@H+]2Cc2ccccc2)C1 ZINC000136507279 345814953 /nfs/dbraw/zinc/81/49/53/345814953.db2.gz KMWGCUKJPXKLID-OAHLLOKOSA-N 1 1 243.350 3.081 10 0 BGAEMO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)c2ccccc21 ZINC000136970660 711763192 /nfs/dbraw/zinc/76/31/92/711763192.db2.gz IUTQKGTXMQTKLU-ABAIWWIYSA-N 1 1 241.338 3.138 10 0 BGAEMO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]cn2)c2ccccc21 ZINC000136970702 711763179 /nfs/dbraw/zinc/76/31/79/711763179.db2.gz IUTQKGTXMQTKLU-NHYWBVRUSA-N 1 1 241.338 3.138 10 0 BGAEMO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)c2ccccc21 ZINC000136970747 711763099 /nfs/dbraw/zinc/76/30/99/711763099.db2.gz IUTQKGTXMQTKLU-IAQYHMDHSA-N 1 1 241.338 3.138 10 0 BGAEMO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]cn2)c2ccccc21 ZINC000136970791 711763145 /nfs/dbraw/zinc/76/31/45/711763145.db2.gz IUTQKGTXMQTKLU-XHDPSFHLSA-N 1 1 241.338 3.138 10 0 BGAEMO [NH3+]CC(F)(F)c1cccc(Cl)c1Cl ZINC000137040183 351271102 /nfs/dbraw/zinc/27/11/02/351271102.db2.gz MIEZZYNLYYOATD-UHFFFAOYSA-N 1 1 226.053 3.044 10 0 BGAEMO [NH3+]CC(F)(F)c1cc(F)c(Cl)cc1Cl ZINC000137043827 345573540 /nfs/dbraw/zinc/57/35/40/345573540.db2.gz CHQRWQBLKFOGRW-UHFFFAOYSA-N 1 1 244.043 3.183 10 0 BGAEMO [NH3+]CC(F)(F)c1cc(Cl)ccc1Cl ZINC000137044164 345573497 /nfs/dbraw/zinc/57/34/97/345573497.db2.gz NVQCFTPZWWDXGX-UHFFFAOYSA-N 1 1 226.053 3.044 10 0 BGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCF)C12CCCC2 ZINC000137625248 358898095 /nfs/dbraw/zinc/89/80/95/358898095.db2.gz KYYCRPIJAKRVSP-QWHCGFSZSA-N 1 1 243.366 3.016 10 0 BGAEMO CCO[C@H]1C[C@H]([N@@H+](C)CCCF)C12CCCC2 ZINC000137625311 358898176 /nfs/dbraw/zinc/89/81/76/358898176.db2.gz KYYCRPIJAKRVSP-STQMWFEESA-N 1 1 243.366 3.016 10 0 BGAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCF)C12CCCC2 ZINC000137625369 134781936 /nfs/dbraw/zinc/78/19/36/134781936.db2.gz KYYCRPIJAKRVSP-CHWSQXEVSA-N 1 1 243.366 3.016 10 0 BGAEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCF)C12CCCC2 ZINC000137625430 358898196 /nfs/dbraw/zinc/89/81/96/358898196.db2.gz KYYCRPIJAKRVSP-OLZOCXBDSA-N 1 1 243.366 3.016 10 0 BGAEMO Fc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000137701785 368346980 /nfs/dbraw/zinc/34/69/80/368346980.db2.gz XLDDQNUCGPXOQG-UHFFFAOYSA-N 1 1 227.282 3.342 10 0 BGAEMO Fc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000137701785 368346976 /nfs/dbraw/zinc/34/69/76/368346976.db2.gz XLDDQNUCGPXOQG-UHFFFAOYSA-N 1 1 227.282 3.342 10 0 BGAEMO C[C@H](c1ccccc1)[N@H+]1[C@H]2CC[C@@H]1[C@H](O)CCC2 ZINC000137781310 345849752 /nfs/dbraw/zinc/84/97/52/345849752.db2.gz LLXOVIPWOAQABO-DTZQCDIJSA-N 1 1 245.366 3.125 10 0 BGAEMO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000138889969 592319665 /nfs/dbraw/zinc/31/96/65/592319665.db2.gz UAQCLYINMDWSHQ-NEPJUHHUSA-N 1 1 229.327 3.130 10 0 BGAEMO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000138890092 134786090 /nfs/dbraw/zinc/78/60/90/134786090.db2.gz UAQCLYINMDWSHQ-RYUDHWBXSA-N 1 1 229.327 3.130 10 0 BGAEMO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000138890202 592320972 /nfs/dbraw/zinc/32/09/72/592320972.db2.gz UAQCLYINMDWSHQ-VXGBXAGGSA-N 1 1 229.327 3.130 10 0 BGAEMO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000138890334 592319345 /nfs/dbraw/zinc/31/93/45/592319345.db2.gz UAQCLYINMDWSHQ-NWDGAFQWSA-N 1 1 229.327 3.130 10 0 BGAEMO C=CC/[NH+]=C/c1ccc(Br)cc1 ZINC000138902312 385222419 /nfs/dbraw/zinc/22/24/19/385222419.db2.gz SPPMBEFRSRCFRC-XYOKQWHBSA-N 1 1 224.101 3.054 10 0 BGAEMO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138909374 179339767 /nfs/dbraw/zinc/33/97/67/179339767.db2.gz CPXJJFFHJAMDJQ-RYUDHWBXSA-N 1 1 229.327 3.130 10 0 BGAEMO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000138909573 179338561 /nfs/dbraw/zinc/33/85/61/179338561.db2.gz CPXJJFFHJAMDJQ-NWDGAFQWSA-N 1 1 229.327 3.130 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000138980355 592331096 /nfs/dbraw/zinc/33/10/96/592331096.db2.gz KWBCQSYTOATMKQ-NEPJUHHUSA-N 1 1 243.354 3.384 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000138980423 592331000 /nfs/dbraw/zinc/33/10/00/592331000.db2.gz KWBCQSYTOATMKQ-RYUDHWBXSA-N 1 1 243.354 3.384 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000138980500 592331454 /nfs/dbraw/zinc/33/14/54/592331454.db2.gz KWBCQSYTOATMKQ-VXGBXAGGSA-N 1 1 243.354 3.384 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000138980581 592331703 /nfs/dbraw/zinc/33/17/03/592331703.db2.gz KWBCQSYTOATMKQ-NWDGAFQWSA-N 1 1 243.354 3.384 10 0 BGAEMO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ncc[nH]1 ZINC000139033539 592336923 /nfs/dbraw/zinc/33/69/23/592336923.db2.gz CJIYEMSQGOMMIJ-UWVGGRQHSA-N 1 1 249.745 3.475 10 0 BGAEMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ncc[nH]1 ZINC000139033785 592337020 /nfs/dbraw/zinc/33/70/20/592337020.db2.gz CJIYEMSQGOMMIJ-VHSXEESVSA-N 1 1 249.745 3.475 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1F ZINC000139050494 134787396 /nfs/dbraw/zinc/78/73/96/134787396.db2.gz DMIAFZLZTLRCIU-QWRGUYRKSA-N 1 1 247.317 3.269 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1F ZINC000139050629 592354284 /nfs/dbraw/zinc/35/42/84/592354284.db2.gz DMIAFZLZTLRCIU-WDEREUQCSA-N 1 1 247.317 3.269 10 0 BGAEMO F[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000139076005 361560868 /nfs/dbraw/zinc/56/08/68/361560868.db2.gz QODFWFUCJLDIPV-ZDUSSCGKSA-N 1 1 207.292 3.011 10 0 BGAEMO F[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000139076132 361561117 /nfs/dbraw/zinc/56/11/17/361561117.db2.gz QODFWFUCJLDIPV-CYBMUJFWSA-N 1 1 207.292 3.011 10 0 BGAEMO Fc1ccccc1-c1cc2c[nH+]ccc2[nH]1 ZINC000139650210 344428262 /nfs/dbraw/zinc/42/82/62/344428262.db2.gz IVNDZQUPTRQAGO-UHFFFAOYSA-N 1 1 212.227 3.369 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000141430166 343094582 /nfs/dbraw/zinc/09/45/82/343094582.db2.gz HAAMCHCCLTUDKE-ZDUSSCGKSA-N 1 1 221.319 3.414 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000141430389 343094744 /nfs/dbraw/zinc/09/47/44/343094744.db2.gz HAAMCHCCLTUDKE-CYBMUJFWSA-N 1 1 221.319 3.414 10 0 BGAEMO CC(C)[N@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000141433575 372951921 /nfs/dbraw/zinc/95/19/21/372951921.db2.gz DKABLZYRVNLULT-CQSZACIVSA-N 1 1 218.344 3.407 10 0 BGAEMO CC(C)[N@H+]1CCCCC[C@H]1c1ccccn1 ZINC000141433774 372951658 /nfs/dbraw/zinc/95/16/58/372951658.db2.gz DKABLZYRVNLULT-AWEZNQCLSA-N 1 1 218.344 3.407 10 0 BGAEMO CCCC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000142638425 343112240 /nfs/dbraw/zinc/11/22/40/343112240.db2.gz WIULZYQPJULSBQ-OAHLLOKOSA-N 1 1 245.366 3.268 10 0 BGAEMO CCCC[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000142638425 343112238 /nfs/dbraw/zinc/11/22/38/343112238.db2.gz WIULZYQPJULSBQ-OAHLLOKOSA-N 1 1 245.366 3.268 10 0 BGAEMO CCCC[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000142638602 343112210 /nfs/dbraw/zinc/11/22/10/343112210.db2.gz WIULZYQPJULSBQ-HNNXBMFYSA-N 1 1 245.366 3.268 10 0 BGAEMO CCCC[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000142638602 343112207 /nfs/dbraw/zinc/11/22/07/343112207.db2.gz WIULZYQPJULSBQ-HNNXBMFYSA-N 1 1 245.366 3.268 10 0 BGAEMO C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000142688271 373832744 /nfs/dbraw/zinc/83/27/44/373832744.db2.gz ARSZPFBIARSABN-NSHDSACASA-N 1 1 207.292 3.025 10 0 BGAEMO C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000142688477 373832194 /nfs/dbraw/zinc/83/21/94/373832194.db2.gz ARSZPFBIARSABN-LLVKDONJSA-N 1 1 207.292 3.025 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000143013491 374125305 /nfs/dbraw/zinc/12/53/05/374125305.db2.gz DUVDBXKRMNNIAM-QMMMGPOBSA-N 1 1 209.255 3.059 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000143013716 374125127 /nfs/dbraw/zinc/12/51/27/374125127.db2.gz DUVDBXKRMNNIAM-MRVPVSSYSA-N 1 1 209.255 3.059 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000143032716 343116046 /nfs/dbraw/zinc/11/60/46/343116046.db2.gz PBRLWMOBZJPLKY-LBPRGKRZSA-N 1 1 207.292 3.025 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000143032942 343115996 /nfs/dbraw/zinc/11/59/96/343115996.db2.gz PBRLWMOBZJPLKY-GFCCVEGCSA-N 1 1 207.292 3.025 10 0 BGAEMO CC[C@@H]1CC(=O)C[C@H](CC)[N@@H+]1Cc1ccccc1 ZINC000143176552 345865657 /nfs/dbraw/zinc/86/56/57/345865657.db2.gz QBPGVHATKOIEEJ-GASCZTMLSA-N 1 1 245.366 3.409 10 0 BGAEMO CCCCCC[NH2+]c1ccc(N)cc1OC ZINC000143970706 342691197 /nfs/dbraw/zinc/69/11/97/342691197.db2.gz ISNZCRNNFRYJNY-UHFFFAOYSA-N 1 1 222.332 3.270 10 0 BGAEMO CCCC[N@@H+](C)Cc1cc(C)cc(C(=O)OC)c1 ZINC000144268947 342727533 /nfs/dbraw/zinc/72/75/33/342727533.db2.gz RAWBMDQMKJSTJO-UHFFFAOYSA-N 1 1 249.354 3.014 10 0 BGAEMO O=C1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000144274172 356475402 /nfs/dbraw/zinc/47/54/02/356475402.db2.gz QVECBZOKTHPXPR-GDBMZVCRSA-N 1 1 243.350 3.020 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000144848535 343139894 /nfs/dbraw/zinc/13/98/94/343139894.db2.gz PTGQBMUGWZOYLQ-GFCCVEGCSA-N 1 1 204.317 3.017 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccncc1 ZINC000144848749 343140008 /nfs/dbraw/zinc/14/00/08/343140008.db2.gz PTGQBMUGWZOYLQ-LBPRGKRZSA-N 1 1 204.317 3.017 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000144854253 343016970 /nfs/dbraw/zinc/01/69/70/343016970.db2.gz NWPFWCUQXULJJS-ZDUSSCGKSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000144854460 343017022 /nfs/dbraw/zinc/01/70/22/343017022.db2.gz NWPFWCUQXULJJS-CYBMUJFWSA-N 1 1 218.344 3.060 10 0 BGAEMO C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000145187268 343261619 /nfs/dbraw/zinc/26/16/19/343261619.db2.gz HPWVULXMORCLSH-GFCCVEGCSA-N 1 1 209.720 3.497 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000145187476 343261687 /nfs/dbraw/zinc/26/16/87/343261687.db2.gz HPWVULXMORCLSH-LBPRGKRZSA-N 1 1 209.720 3.497 10 0 BGAEMO C[N@H+]1CCC[C@@H](Cn2ccc3cc(F)ccc32)C1 ZINC000146370139 188156516 /nfs/dbraw/zinc/15/65/16/188156516.db2.gz USQGAJXJBNSUJF-GFCCVEGCSA-N 1 1 246.329 3.122 10 0 BGAEMO C[N@H+]1CCC[C@H](Cn2ccc3cc(F)ccc32)C1 ZINC000146370357 173041532 /nfs/dbraw/zinc/04/15/32/173041532.db2.gz USQGAJXJBNSUJF-LBPRGKRZSA-N 1 1 246.329 3.122 10 0 BGAEMO C[NH+](C)c1ccc(N)cc1-c1ccccc1 ZINC000146429302 342769544 /nfs/dbraw/zinc/76/95/44/342769544.db2.gz IRUJJDRHKFUAST-UHFFFAOYSA-N 1 1 212.296 3.002 10 0 BGAEMO CNc1ccccc1CC[C@@H]1CCCC[N@H+]1C ZINC000147195179 346005872 /nfs/dbraw/zinc/00/58/72/346005872.db2.gz NZEFGTBWJPXRQC-AWEZNQCLSA-N 1 1 232.371 3.145 10 0 BGAEMO CNc1ccccc1CC[C@H]1CCCC[N@H+]1C ZINC000147195381 342774069 /nfs/dbraw/zinc/77/40/69/342774069.db2.gz NZEFGTBWJPXRQC-CQSZACIVSA-N 1 1 232.371 3.145 10 0 BGAEMO CC[N@@H+](C)Cc1cc(Cl)c(N)c(Cl)c1 ZINC000148119196 345257325 /nfs/dbraw/zinc/25/73/25/345257325.db2.gz WZXYBJIUVVFKQJ-UHFFFAOYSA-N 1 1 233.142 3.027 10 0 BGAEMO C[N@H+]1CCC[C@@H]2[C@H]1Cc1ccccc1C2(C)C ZINC000148154907 343389465 /nfs/dbraw/zinc/38/94/65/343389465.db2.gz MULWARCELGKIRF-HUUCEWRRSA-N 1 1 229.367 3.231 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000148164572 345288422 /nfs/dbraw/zinc/28/84/22/345288422.db2.gz WTPURAICUCBZLZ-GFCCVEGCSA-N 1 1 204.317 3.017 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cccnc1 ZINC000148164785 345288020 /nfs/dbraw/zinc/28/80/20/345288020.db2.gz WTPURAICUCBZLZ-LBPRGKRZSA-N 1 1 204.317 3.017 10 0 BGAEMO Cc1ccccc1[C@H](C)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000148457811 179338620 /nfs/dbraw/zinc/33/86/20/179338620.db2.gz SZAFMUZBITZMKA-SOUVJXGZSA-N 1 1 246.398 3.176 10 0 BGAEMO Cc1ccccc1[C@H](C)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000148457998 179339054 /nfs/dbraw/zinc/33/90/54/179339054.db2.gz SZAFMUZBITZMKA-QLFBSQMISA-N 1 1 246.398 3.176 10 0 BGAEMO COc1cccc([C@@H]2CCCCC[N@H+]2C)c1 ZINC000148848733 346466215 /nfs/dbraw/zinc/46/62/15/346466215.db2.gz JJYZLQNSHQNPCA-AWEZNQCLSA-N 1 1 219.328 3.242 10 0 BGAEMO COc1cccc([C@H]2CCCCC[N@H+]2C)c1 ZINC000148848950 346465926 /nfs/dbraw/zinc/46/59/26/346465926.db2.gz JJYZLQNSHQNPCA-CQSZACIVSA-N 1 1 219.328 3.242 10 0 BGAEMO CCC(CC)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000148961088 387648570 /nfs/dbraw/zinc/64/85/70/387648570.db2.gz WKDLHATWQBZTDR-HUUCEWRRSA-N 1 1 239.403 3.050 10 0 BGAEMO CCC(CC)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000148961258 387649362 /nfs/dbraw/zinc/64/93/62/387649362.db2.gz WKDLHATWQBZTDR-CABCVRRESA-N 1 1 239.403 3.050 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccc(N)cc1 ZINC000150255644 344443800 /nfs/dbraw/zinc/44/38/00/344443800.db2.gz BHGSCILHKXEBHF-CYBMUJFWSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccc(N)cc1 ZINC000150255882 344443602 /nfs/dbraw/zinc/44/36/02/344443602.db2.gz BHGSCILHKXEBHF-ZDUSSCGKSA-N 1 1 218.344 3.204 10 0 BGAEMO CCCCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152393570 641565557 /nfs/dbraw/zinc/56/55/57/641565557.db2.gz FYJYOPUJAPHHKN-HNNXBMFYSA-N 1 1 248.370 3.115 10 0 BGAEMO CCCCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152393652 641565442 /nfs/dbraw/zinc/56/54/42/641565442.db2.gz FYJYOPUJAPHHKN-OAHLLOKOSA-N 1 1 248.370 3.115 10 0 BGAEMO CCC(CC)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000153911193 344999844 /nfs/dbraw/zinc/99/98/44/344999844.db2.gz ORZFAOWYCCQLRX-HNNXBMFYSA-N 1 1 249.402 3.265 10 0 BGAEMO CCC(CC)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000153911299 344999704 /nfs/dbraw/zinc/99/97/04/344999704.db2.gz ORZFAOWYCCQLRX-OAHLLOKOSA-N 1 1 249.402 3.265 10 0 BGAEMO CCC(CC)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000153912235 344999636 /nfs/dbraw/zinc/99/96/36/344999636.db2.gz QQEVNGHMAWSYDQ-CQSZACIVSA-N 1 1 235.375 3.373 10 0 BGAEMO CCC(CC)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000153912342 344999782 /nfs/dbraw/zinc/99/97/82/344999782.db2.gz QQEVNGHMAWSYDQ-AWEZNQCLSA-N 1 1 235.375 3.373 10 0 BGAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2c[nH]nc2C)o1 ZINC000153951526 538017310 /nfs/dbraw/zinc/01/73/10/538017310.db2.gz SVAIONYDLHUCBJ-GXSJLCMTSA-N 1 1 233.315 3.031 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2c[nH]nc2C)o1 ZINC000153951650 538016289 /nfs/dbraw/zinc/01/62/89/538016289.db2.gz SVAIONYDLHUCBJ-ONGXEEELSA-N 1 1 233.315 3.031 10 0 BGAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c[nH]nc2C)o1 ZINC000153951747 538016974 /nfs/dbraw/zinc/01/69/74/538016974.db2.gz SVAIONYDLHUCBJ-MWLCHTKSSA-N 1 1 233.315 3.031 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2c[nH]nc2C)o1 ZINC000153951855 538863894 /nfs/dbraw/zinc/86/38/94/538863894.db2.gz SVAIONYDLHUCBJ-KOLCDFICSA-N 1 1 233.315 3.031 10 0 BGAEMO CCC[C@H]([NH2+]C1CCCC1)C(=O)OC(C)(C)C ZINC000154859649 326168330 /nfs/dbraw/zinc/16/83/30/326168330.db2.gz LESLYVCQKWQBKY-LBPRGKRZSA-N 1 1 241.375 3.029 10 0 BGAEMO CCC[C@@H]([NH2+]C1CCCC1)C(=O)OC(C)(C)C ZINC000154859712 326167958 /nfs/dbraw/zinc/16/79/58/326167958.db2.gz LESLYVCQKWQBKY-GFCCVEGCSA-N 1 1 241.375 3.029 10 0 BGAEMO c1csc([C@@H]2CCCC[N@@H+]2CC2CC2)n1 ZINC000155948814 385422627 /nfs/dbraw/zinc/42/26/27/385422627.db2.gz GGBDZJPDLFIXTN-NSHDSACASA-N 1 1 222.357 3.080 10 0 BGAEMO c1csc([C@H]2CCCC[N@@H+]2CC2CC2)n1 ZINC000155948934 385423381 /nfs/dbraw/zinc/42/33/81/385423381.db2.gz GGBDZJPDLFIXTN-LLVKDONJSA-N 1 1 222.357 3.080 10 0 BGAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC1CC1 ZINC000156048880 345120830 /nfs/dbraw/zinc/12/08/30/345120830.db2.gz IIKXPIZYNYTRLV-HNNXBMFYSA-N 1 1 245.366 3.249 10 0 BGAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CC1CC1 ZINC000156049001 345120593 /nfs/dbraw/zinc/12/05/93/345120593.db2.gz IIKXPIZYNYTRLV-OAHLLOKOSA-N 1 1 245.366 3.249 10 0 BGAEMO CC(=O)CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000156249537 397757447 /nfs/dbraw/zinc/75/74/47/397757447.db2.gz FVKJKUDHKSPENV-ZDUSSCGKSA-N 1 1 235.327 3.094 10 0 BGAEMO CC(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000156249669 397757458 /nfs/dbraw/zinc/75/74/58/397757458.db2.gz FVKJKUDHKSPENV-CYBMUJFWSA-N 1 1 235.327 3.094 10 0 BGAEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCC(C)=O)o1 ZINC000156250939 385444612 /nfs/dbraw/zinc/44/46/12/385444612.db2.gz OCSSDCRMOKTSQQ-AWEZNQCLSA-N 1 1 249.354 3.348 10 0 BGAEMO CCc1ccc([C@H]2CCCC[N@H+]2CCC(C)=O)o1 ZINC000156251059 385444816 /nfs/dbraw/zinc/44/48/16/385444816.db2.gz OCSSDCRMOKTSQQ-CQSZACIVSA-N 1 1 249.354 3.348 10 0 BGAEMO Cc1cccc(N2CC[C@H]3CCCC[C@@H]32)[nH+]1 ZINC000157316316 385148119 /nfs/dbraw/zinc/14/81/19/385148119.db2.gz VPUXRXDPIPYXBQ-OLZOCXBDSA-N 1 1 216.328 3.159 10 0 BGAEMO Cc1cccc(N2CCC[C@@H]2c2ccco2)[nH+]1 ZINC000157595146 385221452 /nfs/dbraw/zinc/22/14/52/385221452.db2.gz KFHSIFKLTUQSAO-GFCCVEGCSA-N 1 1 228.295 3.325 10 0 BGAEMO Cc1cccc(N2CCC[C@H]2c2ccco2)[nH+]1 ZINC000157595294 385221396 /nfs/dbraw/zinc/22/13/96/385221396.db2.gz KFHSIFKLTUQSAO-LBPRGKRZSA-N 1 1 228.295 3.325 10 0 BGAEMO CC[C@H](Nc1cccc(C)[nH+]1)c1ccncc1 ZINC000157697645 398340579 /nfs/dbraw/zinc/34/05/79/398340579.db2.gz IRWNMCWFYRRNRS-ZDUSSCGKSA-N 1 1 227.311 3.348 10 0 BGAEMO CC[C@@H](Nc1cccc(C)[nH+]1)c1ccncc1 ZINC000157697802 398340556 /nfs/dbraw/zinc/34/05/56/398340556.db2.gz IRWNMCWFYRRNRS-CYBMUJFWSA-N 1 1 227.311 3.348 10 0 BGAEMO Cc1cccc(N[C@@H](c2nccs2)C2CC2)[nH+]1 ZINC000157722763 385268290 /nfs/dbraw/zinc/26/82/90/385268290.db2.gz SSLORQWVUDDGQL-GFCCVEGCSA-N 1 1 245.351 3.410 10 0 BGAEMO Cc1cccc(N[C@H](c2nccs2)C2CC2)[nH+]1 ZINC000157722902 385266682 /nfs/dbraw/zinc/26/66/82/385266682.db2.gz SSLORQWVUDDGQL-LBPRGKRZSA-N 1 1 245.351 3.410 10 0 BGAEMO CCCCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000157736849 385263659 /nfs/dbraw/zinc/26/36/59/385263659.db2.gz HAIMTTRJUORQOW-UHFFFAOYSA-N 1 1 235.375 3.169 10 0 BGAEMO CCS[C@@H]1CC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000157783715 385279086 /nfs/dbraw/zinc/27/90/86/385279086.db2.gz QMDOEMBEQRTLFK-NWDGAFQWSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@H]1CC[C@H](Nc2cccc(C)[nH+]2)C1 ZINC000157783855 385278063 /nfs/dbraw/zinc/27/80/63/385278063.db2.gz QMDOEMBEQRTLFK-RYUDHWBXSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@@H]1CC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000157784006 385279258 /nfs/dbraw/zinc/27/92/58/385279258.db2.gz QMDOEMBEQRTLFK-VXGBXAGGSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@H]1CC[C@@H](Nc2cccc(C)[nH+]2)C1 ZINC000157784155 385282246 /nfs/dbraw/zinc/28/22/46/385282246.db2.gz QMDOEMBEQRTLFK-NEPJUHHUSA-N 1 1 236.384 3.476 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000157887414 385296498 /nfs/dbraw/zinc/29/64/98/385296498.db2.gz GMXHBTOHKVMZKS-CQSZACIVSA-N 1 1 235.375 3.137 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000157887568 385296077 /nfs/dbraw/zinc/29/60/77/385296077.db2.gz GMXHBTOHKVMZKS-AWEZNQCLSA-N 1 1 235.375 3.137 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000158000994 631492237 /nfs/dbraw/zinc/49/22/37/631492237.db2.gz KRNWNMJLXZCXQB-HNNXBMFYSA-N 1 1 249.402 3.409 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000158001151 641625479 /nfs/dbraw/zinc/62/54/79/641625479.db2.gz KRNWNMJLXZCXQB-OAHLLOKOSA-N 1 1 249.402 3.409 10 0 BGAEMO C[NH2+][C@H](C)c1nc(C2CCCCCCC2)no1 ZINC000158836813 641652355 /nfs/dbraw/zinc/65/23/55/641652355.db2.gz HXXOEZWVDMBWOJ-SNVBAGLBSA-N 1 1 237.347 3.178 10 0 BGAEMO CC(C)[C@@H](C)Nc1cc[nH+]cc1Br ZINC000159814132 385736398 /nfs/dbraw/zinc/73/63/98/385736398.db2.gz VNBJCOODYCPEIA-MRVPVSSYSA-N 1 1 243.148 3.301 10 0 BGAEMO CC(C)[C@H](C)Nc1cc[nH+]cc1Br ZINC000159814256 388032034 /nfs/dbraw/zinc/03/20/34/388032034.db2.gz VNBJCOODYCPEIA-QMMMGPOBSA-N 1 1 243.148 3.301 10 0 BGAEMO CCC(C)(C)Nc1cc[nH+]cc1Br ZINC000159948217 351126236 /nfs/dbraw/zinc/12/62/36/351126236.db2.gz QAMZXDPHSKTVNF-UHFFFAOYSA-N 1 1 243.148 3.445 10 0 BGAEMO CC(C)(C)Nc1cc[nH+]cc1Br ZINC000159948412 351126153 /nfs/dbraw/zinc/12/61/53/351126153.db2.gz PUJKAMRLHONGSY-UHFFFAOYSA-N 1 1 229.121 3.055 10 0 BGAEMO CCN(c1cc[nH+]cc1Br)C(C)C ZINC000159951585 351130733 /nfs/dbraw/zinc/13/07/33/351130733.db2.gz WEJFOASUTFNMOC-UHFFFAOYSA-N 1 1 243.148 3.079 10 0 BGAEMO CC[C@@H](C)N(C)c1cc[nH+]cc1Br ZINC000159952544 351133251 /nfs/dbraw/zinc/13/32/51/351133251.db2.gz HOIMQMYINXGAOF-MRVPVSSYSA-N 1 1 243.148 3.079 10 0 BGAEMO CC[C@H](C)N(C)c1cc[nH+]cc1Br ZINC000159952663 351132820 /nfs/dbraw/zinc/13/28/20/351132820.db2.gz HOIMQMYINXGAOF-QMMMGPOBSA-N 1 1 243.148 3.079 10 0 BGAEMO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000160022262 488100341 /nfs/dbraw/zinc/10/03/41/488100341.db2.gz DOVVVVFXOGFJOB-LBPRGKRZSA-N 1 1 247.342 3.045 10 0 BGAEMO CCCn1nccc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000160022375 488099948 /nfs/dbraw/zinc/09/99/48/488099948.db2.gz DOVVVVFXOGFJOB-GFCCVEGCSA-N 1 1 247.342 3.045 10 0 BGAEMO Cc1cccc([C@H](C)N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000160183188 201705851 /nfs/dbraw/zinc/70/58/51/201705851.db2.gz QMLMVLSSKMTCLQ-DZKIICNBSA-N 1 1 246.398 3.176 10 0 BGAEMO Cc1cccc([C@H](C)N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000160183318 388052235 /nfs/dbraw/zinc/05/22/35/388052235.db2.gz QMLMVLSSKMTCLQ-YCPHGPKFSA-N 1 1 246.398 3.176 10 0 BGAEMO Cc1cccc([C@H](C)N[C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000160183426 388050982 /nfs/dbraw/zinc/05/09/82/388050982.db2.gz QMLMVLSSKMTCLQ-OFQRWUPVSA-N 1 1 246.398 3.176 10 0 BGAEMO Cc1cccc([C@H](C)N[C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000160183554 201705836 /nfs/dbraw/zinc/70/58/36/201705836.db2.gz QMLMVLSSKMTCLQ-IJEWVQPXSA-N 1 1 246.398 3.176 10 0 BGAEMO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cncc(F)c1 ZINC000160209127 384393585 /nfs/dbraw/zinc/39/35/85/384393585.db2.gz VSDCYEGGEMPFOD-ZJUUUORDSA-N 1 1 234.274 3.226 10 0 BGAEMO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccco1 ZINC000160209215 201708707 /nfs/dbraw/zinc/70/87/07/201708707.db2.gz VSDCYEGGEMPFOD-NXEZZACHSA-N 1 1 234.274 3.226 10 0 BGAEMO Cc1cc[nH+]c(N[C@H](C)c2cccc(O)c2)c1 ZINC000161547294 385344784 /nfs/dbraw/zinc/34/47/84/385344784.db2.gz YDWPRKDLANBQDY-LLVKDONJSA-N 1 1 228.295 3.269 10 0 BGAEMO CCC(CC)C[N@@H+](CC)CC(O)(CC)CC ZINC000162890140 202090813 /nfs/dbraw/zinc/09/08/13/202090813.db2.gz BNHWKNYKOOHVTI-UHFFFAOYSA-N 1 1 229.408 3.296 10 0 BGAEMO CC[C@@H]1CCC[N@@H+](CC(O)(CC)CC)CC1 ZINC000163012199 202142989 /nfs/dbraw/zinc/14/29/89/202142989.db2.gz MENBYDSXNCPNGJ-CYBMUJFWSA-N 1 1 227.392 3.050 10 0 BGAEMO CC[C@H]1CCC[N@@H+](CC(O)(CC)CC)CC1 ZINC000163012300 202143940 /nfs/dbraw/zinc/14/39/40/202143940.db2.gz MENBYDSXNCPNGJ-ZDUSSCGKSA-N 1 1 227.392 3.050 10 0 BGAEMO C[C@@H]1CS[C@H](c2ccc(Cl)cc2F)[NH2+]1 ZINC000163563773 372014515 /nfs/dbraw/zinc/01/45/15/372014515.db2.gz GFRLGXIMVNFNAT-LHLIQPBNSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@H]1CS[C@H](c2ccc(Cl)cc2F)[NH2+]1 ZINC000163563888 372013807 /nfs/dbraw/zinc/01/38/07/372013807.db2.gz GFRLGXIMVNFNAT-QUBYGPBYSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@@H]1CS[C@@H](c2ccc(Cl)cc2F)[NH2+]1 ZINC000163563985 346566341 /nfs/dbraw/zinc/56/63/41/346566341.db2.gz GFRLGXIMVNFNAT-LDWIPMOCSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@H]1CS[C@@H](c2ccc(Cl)cc2F)[NH2+]1 ZINC000163564095 372013793 /nfs/dbraw/zinc/01/37/93/372013793.db2.gz GFRLGXIMVNFNAT-WKEGUHRASA-N 1 1 231.723 3.203 10 0 BGAEMO Cc1ncsc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000164706796 346618738 /nfs/dbraw/zinc/61/87/38/346618738.db2.gz PQMVGSIQDQJRJT-MRVPVSSYSA-N 1 1 244.772 3.215 10 0 BGAEMO Cc1ncsc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000164706903 346619075 /nfs/dbraw/zinc/61/90/75/346619075.db2.gz PQMVGSIQDQJRJT-QMMMGPOBSA-N 1 1 244.772 3.215 10 0 BGAEMO Cc1nc([C@H]([NH3+])c2ccc(Cl)s2)cs1 ZINC000164718285 346619673 /nfs/dbraw/zinc/61/96/73/346619673.db2.gz SITQQLBUGNPPQG-VIFPVBQESA-N 1 1 244.772 3.215 10 0 BGAEMO Cc1nc([C@@H]([NH3+])c2ccc(Cl)s2)cs1 ZINC000164718404 346619578 /nfs/dbraw/zinc/61/95/78/346619578.db2.gz SITQQLBUGNPPQG-SECBINFHSA-N 1 1 244.772 3.215 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000165019057 343547325 /nfs/dbraw/zinc/54/73/25/343547325.db2.gz VSJBLUSPSMMSDH-CYBMUJFWSA-N 1 1 207.292 3.371 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000165019184 342868661 /nfs/dbraw/zinc/86/86/61/342868661.db2.gz VSJBLUSPSMMSDH-ZDUSSCGKSA-N 1 1 207.292 3.371 10 0 BGAEMO CCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000165046016 385062356 /nfs/dbraw/zinc/06/23/56/385062356.db2.gz QAXKXIJGZOKODH-UHFFFAOYSA-N 1 1 201.313 3.229 10 0 BGAEMO CC[N@@H+](Cc1ccccc1)CC(O)(CC)CC ZINC000165199916 206139777 /nfs/dbraw/zinc/13/97/77/206139777.db2.gz CILJIBWISNLDEH-UHFFFAOYSA-N 1 1 235.371 3.060 10 0 BGAEMO CC[N@H+]1CCCC[C@@H]1CCc1ccccc1N ZINC000165415157 385387586 /nfs/dbraw/zinc/38/75/86/385387586.db2.gz QNXZSMDOIKKLQS-CQSZACIVSA-N 1 1 232.371 3.076 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1CCc1ccccc1N ZINC000165415289 385387807 /nfs/dbraw/zinc/38/78/07/385387807.db2.gz QNXZSMDOIKKLQS-AWEZNQCLSA-N 1 1 232.371 3.076 10 0 BGAEMO CC[C@@H]1CC[C@H](CCc2ccccc2N)[N@@H+](C)C1 ZINC000165434061 343143959 /nfs/dbraw/zinc/14/39/59/343143959.db2.gz JCFCPSUZCSXLGY-UKRRQHHQSA-N 1 1 246.398 3.322 10 0 BGAEMO CC[C@H]1CC[C@H](CCc2ccccc2N)[N@@H+](C)C1 ZINC000165434173 353349727 /nfs/dbraw/zinc/34/97/27/353349727.db2.gz JCFCPSUZCSXLGY-DZGCQCFKSA-N 1 1 246.398 3.322 10 0 BGAEMO CC[C@@H]1CC[C@@H](CCc2ccccc2N)[N@@H+](C)C1 ZINC000165434297 346651377 /nfs/dbraw/zinc/65/13/77/346651377.db2.gz JCFCPSUZCSXLGY-HIFRSBDPSA-N 1 1 246.398 3.322 10 0 BGAEMO CC[C@H]1CC[C@@H](CCc2ccccc2N)[N@@H+](C)C1 ZINC000165434417 343143944 /nfs/dbraw/zinc/14/39/44/343143944.db2.gz JCFCPSUZCSXLGY-ZFWWWQNUSA-N 1 1 246.398 3.322 10 0 BGAEMO CCC(O)(CC)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000165472707 203386358 /nfs/dbraw/zinc/38/63/58/203386358.db2.gz KYPJKZFJXFKDFJ-HNNXBMFYSA-N 1 1 247.382 3.027 10 0 BGAEMO CCC(O)(CC)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000165472847 203385731 /nfs/dbraw/zinc/38/57/31/203385731.db2.gz KYPJKZFJXFKDFJ-OAHLLOKOSA-N 1 1 247.382 3.027 10 0 BGAEMO CC(C)CCC[N@H+]1CCNCC12CCCCC2 ZINC000165544818 203386748 /nfs/dbraw/zinc/38/67/48/203386748.db2.gz HUXNWTFIHKNAML-UHFFFAOYSA-N 1 1 238.419 3.031 10 0 BGAEMO C[C@@H]1CCC[N@H+]1Cc1cnc(Cl)cc1Cl ZINC000165994830 344270424 /nfs/dbraw/zinc/27/04/24/344270424.db2.gz LDXMOGGVEQKVPX-MRVPVSSYSA-N 1 1 245.153 3.373 10 0 BGAEMO C[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)cc1Cl ZINC000165994830 344270423 /nfs/dbraw/zinc/27/04/23/344270423.db2.gz LDXMOGGVEQKVPX-MRVPVSSYSA-N 1 1 245.153 3.373 10 0 BGAEMO C[C@H]1CCC[N@H+]1Cc1cnc(Cl)cc1Cl ZINC000165994947 344270591 /nfs/dbraw/zinc/27/05/91/344270591.db2.gz LDXMOGGVEQKVPX-QMMMGPOBSA-N 1 1 245.153 3.373 10 0 BGAEMO C[C@H]1CCC[N@@H+]1Cc1cnc(Cl)cc1Cl ZINC000165994947 344270590 /nfs/dbraw/zinc/27/05/90/344270590.db2.gz LDXMOGGVEQKVPX-QMMMGPOBSA-N 1 1 245.153 3.373 10 0 BGAEMO C[N@@H+](Cc1cnc(Cl)cc1Cl)C1CCC1 ZINC000166003940 354681454 /nfs/dbraw/zinc/68/14/54/354681454.db2.gz VQXWXTMDYGNPDM-UHFFFAOYSA-N 1 1 245.153 3.373 10 0 BGAEMO C[N@H+](Cc1cnc(Cl)cc1Cl)C1CCC1 ZINC000166003940 354681452 /nfs/dbraw/zinc/68/14/52/354681452.db2.gz VQXWXTMDYGNPDM-UHFFFAOYSA-N 1 1 245.153 3.373 10 0 BGAEMO CC(C)CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000166044326 203387933 /nfs/dbraw/zinc/38/79/33/203387933.db2.gz JKDJSLBWNYCJBC-HUUCEWRRSA-N 1 1 239.403 3.050 10 0 BGAEMO CC(C)CCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000166044459 203387135 /nfs/dbraw/zinc/38/71/35/203387135.db2.gz JKDJSLBWNYCJBC-CABCVRRESA-N 1 1 239.403 3.050 10 0 BGAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000166424345 344895107 /nfs/dbraw/zinc/89/51/07/344895107.db2.gz IWTFXEQIZMUQIB-INIZCTEOSA-N 1 1 241.309 3.403 10 0 BGAEMO C[N@H+]1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000166424476 344894884 /nfs/dbraw/zinc/89/48/84/344894884.db2.gz IWTFXEQIZMUQIB-MRXNPFEDSA-N 1 1 241.309 3.403 10 0 BGAEMO Cc1ccccc1/C=C/c1cc[nH+]c(N)c1 ZINC000167561756 358913510 /nfs/dbraw/zinc/91/35/10/358913510.db2.gz GXVNJANSIQAYPO-VOTSOKGWSA-N 1 1 210.280 3.143 10 0 BGAEMO C[N@@H+]1CC=C(/C=C/c2ccc(F)cc2)CC1 ZINC000167785797 345800770 /nfs/dbraw/zinc/80/07/70/345800770.db2.gz WTOIWADFIDZNBW-NSCUHMNNSA-N 1 1 217.287 3.101 10 0 BGAEMO CSc1ccc(NC(=[NH2+])c2cccnc2)cc1 ZINC000167953596 346722040 /nfs/dbraw/zinc/72/20/40/346722040.db2.gz SQNRRAARKRNOEG-UHFFFAOYSA-N 1 1 243.335 3.241 10 0 BGAEMO 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ZINC000195377385 387914367 /nfs/dbraw/zinc/91/43/67/387914367.db2.gz ANVHFOARIXDBLR-NSHDSACASA-N 1 1 238.400 3.295 10 0 BGAEMO CCC[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377391 387913794 /nfs/dbraw/zinc/91/37/94/387913794.db2.gz ANVHFOARIXDBLR-LLVKDONJSA-N 1 1 238.400 3.295 10 0 BGAEMO CCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195439676 387916031 /nfs/dbraw/zinc/91/60/31/387916031.db2.gz XTRFSBVYRVUZKU-LLVKDONJSA-N 1 1 224.373 3.470 10 0 BGAEMO CCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195439684 134840862 /nfs/dbraw/zinc/84/08/62/134840862.db2.gz XTRFSBVYRVUZKU-NSHDSACASA-N 1 1 224.373 3.470 10 0 BGAEMO CSCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440331 387917158 /nfs/dbraw/zinc/91/71/58/387917158.db2.gz ILFXLYQFVIYCNV-SNVBAGLBSA-N 1 1 242.413 3.033 10 0 BGAEMO CSCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440331 387917153 /nfs/dbraw/zinc/91/71/53/387917153.db2.gz ILFXLYQFVIYCNV-SNVBAGLBSA-N 1 1 242.413 3.033 10 0 BGAEMO CSCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195440337 387916469 /nfs/dbraw/zinc/91/64/69/387916469.db2.gz ILFXLYQFVIYCNV-JTQLQIEISA-N 1 1 242.413 3.033 10 0 BGAEMO CSCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195440337 387916467 /nfs/dbraw/zinc/91/64/67/387916467.db2.gz ILFXLYQFVIYCNV-JTQLQIEISA-N 1 1 242.413 3.033 10 0 BGAEMO CCCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440942 387916864 /nfs/dbraw/zinc/91/68/64/387916864.db2.gz WQZWBTOMVKEYET-LBPRGKRZSA-N 1 1 238.400 3.431 10 0 BGAEMO CCCC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440948 387916615 /nfs/dbraw/zinc/91/66/15/387916615.db2.gz WQZWBTOMVKEYET-GFCCVEGCSA-N 1 1 238.400 3.431 10 0 BGAEMO c1cc(C2CC[NH+](CC3CCCCC3)CC2)[nH]n1 ZINC000195505778 387919569 /nfs/dbraw/zinc/91/95/69/387919569.db2.gz DBSKUVBCWHCWBI-UHFFFAOYSA-N 1 1 247.386 3.169 10 0 BGAEMO C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](O)CCC2 ZINC000195990476 347760757 /nfs/dbraw/zinc/76/07/57/347760757.db2.gz LLXOVIPWOAQABO-OEAJRASXSA-N 1 1 245.366 3.125 10 0 BGAEMO COc1cccc(C2=CC[C@@H]3CCCC[N@H+]3C2)c1 ZINC000196450749 347889007 /nfs/dbraw/zinc/88/90/07/347889007.db2.gz ZIXLLOYUMCDFTQ-HNNXBMFYSA-N 1 1 243.350 3.337 10 0 BGAEMO COc1cccc(C2=CC[C@H]3CCCC[N@H+]3C2)c1 ZINC000196450759 347888999 /nfs/dbraw/zinc/88/89/99/347888999.db2.gz ZIXLLOYUMCDFTQ-OAHLLOKOSA-N 1 1 243.350 3.337 10 0 BGAEMO C[C@@]12CCC[N@H+]1CCc1c3ccccc3[nH]c12 ZINC000196916543 348053525 /nfs/dbraw/zinc/05/35/25/348053525.db2.gz ITJNAPPMZWOVBX-HNNXBMFYSA-N 1 1 226.323 3.035 10 0 BGAEMO C[C@]12CCC[N@H+]1CCc1c3ccccc3[nH]c12 ZINC000196916553 348053635 /nfs/dbraw/zinc/05/36/35/348053635.db2.gz ITJNAPPMZWOVBX-OAHLLOKOSA-N 1 1 226.323 3.035 10 0 BGAEMO CC(C)(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000200390569 343282636 /nfs/dbraw/zinc/28/26/36/343282636.db2.gz RHWBUAIQWVPDNX-CQSZACIVSA-N 1 1 245.366 3.124 10 0 BGAEMO CC(C)(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000200390607 343282558 /nfs/dbraw/zinc/28/25/58/343282558.db2.gz RHWBUAIQWVPDNX-AWEZNQCLSA-N 1 1 245.366 3.124 10 0 BGAEMO CC(C)(C)[Si](C)(C)N1CCc2ccc[nH+]c21 ZINC000202425063 348019258 /nfs/dbraw/zinc/01/92/58/348019258.db2.gz UGRSTJMKMMQQBD-UHFFFAOYSA-N 1 1 234.419 3.449 10 0 BGAEMO CNc1ccc([N@H+]2CCCC[C@H]2C)cc1 ZINC000202936795 388351894 /nfs/dbraw/zinc/35/18/94/388351894.db2.gz YVKCCQPXYPAMPS-LLVKDONJSA-N 1 1 204.317 3.107 10 0 BGAEMO CNc1ccc([N@@H+]2CCCC[C@H]2C)cc1 ZINC000202936795 388351893 /nfs/dbraw/zinc/35/18/93/388351893.db2.gz YVKCCQPXYPAMPS-LLVKDONJSA-N 1 1 204.317 3.107 10 0 BGAEMO CNc1ccc([N@H+]2CCCC[C@@H]2C)cc1 ZINC000202936810 388351736 /nfs/dbraw/zinc/35/17/36/388351736.db2.gz YVKCCQPXYPAMPS-NSHDSACASA-N 1 1 204.317 3.107 10 0 BGAEMO CNc1ccc([N@@H+]2CCCC[C@@H]2C)cc1 ZINC000202936810 388351733 /nfs/dbraw/zinc/35/17/33/388351733.db2.gz YVKCCQPXYPAMPS-NSHDSACASA-N 1 1 204.317 3.107 10 0 BGAEMO Cc1ccc[nH+]c1NCc1cnc(Cl)s1 ZINC000203418786 343529435 /nfs/dbraw/zinc/52/94/35/343529435.db2.gz FPKKPPXMUGIKKC-UHFFFAOYSA-N 1 1 239.731 3.112 10 0 BGAEMO Cc1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1C)C2 ZINC000203993825 343553771 /nfs/dbraw/zinc/55/37/71/343553771.db2.gz JKQYBACECGCDLM-BBRMVZONSA-N 1 1 229.367 3.337 10 0 BGAEMO COc1ccc(C[C@H]2C=C(C)C=C(C)[N@H+]2C)cc1 ZINC000207544647 358431526 /nfs/dbraw/zinc/43/15/26/358431526.db2.gz MIBIUKFRENRWIW-OAHLLOKOSA-N 1 1 243.350 3.402 10 0 BGAEMO COc1ccc(C[C@@H]2C=C(C)C=C(C)[N@H+]2C)cc1 ZINC000207544690 358431798 /nfs/dbraw/zinc/43/17/98/358431798.db2.gz MIBIUKFRENRWIW-HNNXBMFYSA-N 1 1 243.350 3.402 10 0 BGAEMO CC(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000211537764 591194220 /nfs/dbraw/zinc/19/42/20/591194220.db2.gz VEMSRBNZKGZQQE-MEMKZHQFSA-N 1 1 243.350 3.001 10 0 BGAEMO CC(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000211537845 591194230 /nfs/dbraw/zinc/19/42/30/591194230.db2.gz VEMSRBNZKGZQQE-GEZBDVBVSA-N 1 1 243.350 3.001 10 0 BGAEMO Cc1[nH+]c(N)[nH]c1-c1ccc(Cl)c(Cl)c1 ZINC000212583510 344759299 /nfs/dbraw/zinc/75/92/99/344759299.db2.gz KWXUCOIVGXZVAO-UHFFFAOYSA-N 1 1 242.109 3.274 10 0 BGAEMO CC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000215416575 635190993 /nfs/dbraw/zinc/19/09/93/635190993.db2.gz IEUKDHRTVVAEKK-HNNXBMFYSA-N 1 1 245.366 3.104 10 0 BGAEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000215416626 591946310 /nfs/dbraw/zinc/94/63/10/591946310.db2.gz IEUKDHRTVVAEKK-OAHLLOKOSA-N 1 1 245.366 3.104 10 0 BGAEMO CCC[N@@H+]1CCc2ccc(O)cc2[C@H](C)CC1 ZINC000216081407 342750321 /nfs/dbraw/zinc/75/03/21/342750321.db2.gz ZVTOWXGIOUKQHS-GFCCVEGCSA-N 1 1 233.355 3.154 10 0 BGAEMO CCC[N@@H+]1CCc2ccc(O)cc2[C@@H](C)CC1 ZINC000216081459 342750504 /nfs/dbraw/zinc/75/05/04/342750504.db2.gz ZVTOWXGIOUKQHS-LBPRGKRZSA-N 1 1 233.355 3.154 10 0 BGAEMO Clc1ccccc1[C@H]1[NH2+]CCc2occc21 ZINC000216830527 538116684 /nfs/dbraw/zinc/11/66/84/538116684.db2.gz LTDAKSGUBQWNCB-CYBMUJFWSA-N 1 1 233.698 3.168 10 0 BGAEMO Clc1ccccc1[C@@H]1[NH2+]CCc2occc21 ZINC000216830559 538116695 /nfs/dbraw/zinc/11/66/95/538116695.db2.gz LTDAKSGUBQWNCB-ZDUSSCGKSA-N 1 1 233.698 3.168 10 0 BGAEMO CCC[C@H]([NH3+])c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000218543928 592161512 /nfs/dbraw/zinc/16/15/12/592161512.db2.gz SPZPQXFLIUURCJ-MXWKQRLJSA-N 1 1 237.347 3.163 10 0 BGAEMO CCC[C@H]([NH3+])c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000218544048 583173488 /nfs/dbraw/zinc/17/34/88/583173488.db2.gz SPZPQXFLIUURCJ-VWYCJHECSA-N 1 1 237.347 3.163 10 0 BGAEMO C[N@H+]1CCc2ccc(Cl)c(Cl)c2CC1 ZINC000219049429 344257462 /nfs/dbraw/zinc/25/74/62/344257462.db2.gz CYJZGHCZLYCBRP-UHFFFAOYSA-N 1 1 230.138 3.024 10 0 BGAEMO C[N@@H+](CC[C@@H](O)CC(C)(C)C)Cc1ccccc1 ZINC000219151751 344266244 /nfs/dbraw/zinc/26/62/44/344266244.db2.gz QUEQZMRMUFRVIL-OAHLLOKOSA-N 1 1 249.398 3.306 10 0 BGAEMO C[N@@H+](CC[C@H](O)CC(C)(C)C)Cc1ccccc1 ZINC000219151837 344266857 /nfs/dbraw/zinc/26/68/57/344266857.db2.gz QUEQZMRMUFRVIL-HNNXBMFYSA-N 1 1 249.398 3.306 10 0 BGAEMO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000219156131 134274504 /nfs/dbraw/zinc/27/45/04/134274504.db2.gz KHUMBXLSVKVVIW-MGPQQGTHSA-N 1 1 240.435 3.131 10 0 BGAEMO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000219156211 134274637 /nfs/dbraw/zinc/27/46/37/134274637.db2.gz KHUMBXLSVKVVIW-MCIONIFRSA-N 1 1 240.435 3.131 10 0 BGAEMO C[C@H]([NH2+]Cc1ccno1)c1cccc(Cl)c1 ZINC000219362205 385929712 /nfs/dbraw/zinc/92/97/12/385929712.db2.gz LWKJQZGDLODEPD-VIFPVBQESA-N 1 1 236.702 3.179 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2ccno2)cc1 ZINC000219362641 171831843 /nfs/dbraw/zinc/83/18/43/171831843.db2.gz RRGSEWFUOHHIHQ-LLVKDONJSA-N 1 1 230.311 3.088 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2ccno2)cc1 ZINC000219362716 385931251 /nfs/dbraw/zinc/93/12/51/385931251.db2.gz RRGSEWFUOHHIHQ-NSHDSACASA-N 1 1 230.311 3.088 10 0 BGAEMO CC(C)=CC[NH2+]CCCN(C)Cc1ccccc1 ZINC000219437866 134285100 /nfs/dbraw/zinc/28/51/00/134285100.db2.gz FBXSLIPKRYKJMK-UHFFFAOYSA-N 1 1 246.398 3.064 10 0 BGAEMO C[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000219449222 592225131 /nfs/dbraw/zinc/22/51/31/592225131.db2.gz WNZUIBAAKUEHJO-GDBMZVCRSA-N 1 1 247.382 3.016 10 0 BGAEMO C[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000219449294 583175038 /nfs/dbraw/zinc/17/50/38/583175038.db2.gz WNZUIBAAKUEHJO-GOEBONIOSA-N 1 1 247.382 3.016 10 0 BGAEMO CNc1ccc([NH+]2CCCCC2)c(C)c1 ZINC000220083944 132290686 /nfs/dbraw/zinc/29/06/86/132290686.db2.gz PBKODTXEMCVPPH-UHFFFAOYSA-N 1 1 204.317 3.027 10 0 BGAEMO CCC[N@H+]1CCC[C@H](c2cccc3c2CCN3)C1 ZINC000220216194 344108864 /nfs/dbraw/zinc/10/88/64/344108864.db2.gz INUGPHFNPWKVJA-ZDUSSCGKSA-N 1 1 244.382 3.244 10 0 BGAEMO CCC[N@H+]1CCC[C@@H](c2cccc3c2CCN3)C1 ZINC000220216268 344108957 /nfs/dbraw/zinc/10/89/57/344108957.db2.gz INUGPHFNPWKVJA-CYBMUJFWSA-N 1 1 244.382 3.244 10 0 BGAEMO CCC[C@H](C)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220390952 384736673 /nfs/dbraw/zinc/73/66/73/384736673.db2.gz ZOYSUFOGVCOQGE-ZNMIVQPWSA-N 1 1 239.403 3.050 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000220898975 134313305 /nfs/dbraw/zinc/31/33/05/134313305.db2.gz WOCXHMCODAUEQO-BXUZGUMPSA-N 1 1 242.322 3.321 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000220899035 134313301 /nfs/dbraw/zinc/31/33/01/134313301.db2.gz WOCXHMCODAUEQO-SMDDNHRTSA-N 1 1 242.322 3.321 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000220899089 134313313 /nfs/dbraw/zinc/31/33/13/134313313.db2.gz WOCXHMCODAUEQO-RISCZKNCSA-N 1 1 242.322 3.321 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000220899134 134313292 /nfs/dbraw/zinc/31/32/92/134313292.db2.gz WOCXHMCODAUEQO-FZMZJTMJSA-N 1 1 242.322 3.321 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+]Cc2sccc2C)o1 ZINC000220921980 134315029 /nfs/dbraw/zinc/31/50/29/134315029.db2.gz WFGOQFLTNWMRJL-SNVBAGLBSA-N 1 1 236.340 3.204 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+]Cc2sccc2C)o1 ZINC000220922038 134315171 /nfs/dbraw/zinc/31/51/71/134315171.db2.gz WFGOQFLTNWMRJL-JTQLQIEISA-N 1 1 236.340 3.204 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000220940429 134314922 /nfs/dbraw/zinc/31/49/22/134314922.db2.gz CUUJFCDFRBUKNO-YSKGHYERSA-N 1 1 242.322 3.347 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000220940494 134315210 /nfs/dbraw/zinc/31/52/10/134315210.db2.gz CUUJFCDFRBUKNO-PPGNKHEKSA-N 1 1 242.322 3.347 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+]Cc2c(C)cccc2C)o1 ZINC000220953080 134314807 /nfs/dbraw/zinc/31/48/07/134314807.db2.gz ICMCJAJKIJXLIE-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+]Cc2c(C)cccc2C)o1 ZINC000220953135 134315269 /nfs/dbraw/zinc/31/52/69/134315269.db2.gz ICMCJAJKIJXLIE-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000221279285 344715842 /nfs/dbraw/zinc/71/58/42/344715842.db2.gz PIIIHXRLLUFXGE-CQSZACIVSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N)cc1 ZINC000221279352 344715756 /nfs/dbraw/zinc/71/57/56/344715756.db2.gz PIIIHXRLLUFXGE-AWEZNQCLSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cccc(N)c1 ZINC000221279885 344715451 /nfs/dbraw/zinc/71/54/51/344715451.db2.gz PBKHTBKZHQCYRQ-CYBMUJFWSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cccc(N)c1 ZINC000221279957 344715358 /nfs/dbraw/zinc/71/53/58/344715358.db2.gz PBKHTBKZHQCYRQ-ZDUSSCGKSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cccc(N)c1 ZINC000221280933 344719960 /nfs/dbraw/zinc/71/99/60/344719960.db2.gz FHBFCRZMHZVZDH-CQSZACIVSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1cccc(N)c1 ZINC000221280996 344720029 /nfs/dbraw/zinc/72/00/29/344720029.db2.gz FHBFCRZMHZVZDH-AWEZNQCLSA-N 1 1 218.344 3.204 10 0 BGAEMO CNc1ccc([NH+]2CCC(C)CC2)c(C)c1 ZINC000221302223 132291046 /nfs/dbraw/zinc/29/10/46/132291046.db2.gz WZKNAHKUGXUDDG-UHFFFAOYSA-N 1 1 218.344 3.273 10 0 BGAEMO CC[Si](CC)(CC)N1CCc2ccc[nH+]c21 ZINC000221776961 487962807 /nfs/dbraw/zinc/96/28/07/487962807.db2.gz XNMXJBBNERTTNG-UHFFFAOYSA-N 1 1 234.419 3.449 10 0 BGAEMO C[C@@H]([NH2+]Cc1ccno1)c1ccc(Cl)s1 ZINC000222445858 488108464 /nfs/dbraw/zinc/10/84/64/488108464.db2.gz IQUMCLHTJRQATP-SSDOTTSWSA-N 1 1 242.731 3.240 10 0 BGAEMO C[C@H]([NH2+]Cc1ccno1)c1ccc(Cl)s1 ZINC000222445922 488108100 /nfs/dbraw/zinc/10/81/00/488108100.db2.gz IQUMCLHTJRQATP-ZETCQYMHSA-N 1 1 242.731 3.240 10 0 BGAEMO CC[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC000222493520 350975805 /nfs/dbraw/zinc/97/58/05/350975805.db2.gz FHUNSHIQXIMFGE-CYBMUJFWSA-N 1 1 207.292 3.373 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccccc1F ZINC000222493587 350975725 /nfs/dbraw/zinc/97/57/25/350975725.db2.gz FHUNSHIQXIMFGE-ZDUSSCGKSA-N 1 1 207.292 3.373 10 0 BGAEMO C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000222593815 344438131 /nfs/dbraw/zinc/43/81/31/344438131.db2.gz RLKNOXQOYVOKON-GFCCVEGCSA-N 1 1 209.720 3.497 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000222593877 350993924 /nfs/dbraw/zinc/99/39/24/350993924.db2.gz RLKNOXQOYVOKON-LBPRGKRZSA-N 1 1 209.720 3.497 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cccc(N)c2)C1 ZINC000222884828 351143042 /nfs/dbraw/zinc/14/30/42/351143042.db2.gz GEWTXAHEZCSJOB-ZDUSSCGKSA-N 1 1 232.371 3.247 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000222884898 351143387 /nfs/dbraw/zinc/14/33/87/351143387.db2.gz GEWTXAHEZCSJOB-CYBMUJFWSA-N 1 1 232.371 3.247 10 0 BGAEMO CC[C@@H](C)C[N@@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000223332658 583180383 /nfs/dbraw/zinc/18/03/83/583180383.db2.gz MISNNZAJOGRBEA-GDBMZVCRSA-N 1 1 249.398 3.262 10 0 BGAEMO CC[C@H](C)C[N@@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000223332714 583180258 /nfs/dbraw/zinc/18/02/58/583180258.db2.gz MISNNZAJOGRBEA-GOEBONIOSA-N 1 1 249.398 3.262 10 0 BGAEMO CCC1=C(C)CC[N@@H+](C)[C@@H]1Cc1ccc(O)cc1 ZINC000223388848 358224547 /nfs/dbraw/zinc/22/45/47/358224547.db2.gz AVPSZKRPSKRBKI-MRXNPFEDSA-N 1 1 245.366 3.365 10 0 BGAEMO CCC1=C(C)CC[N@@H+](C)[C@H]1Cc1ccc(O)cc1 ZINC000223388904 368364591 /nfs/dbraw/zinc/36/45/91/368364591.db2.gz AVPSZKRPSKRBKI-INIZCTEOSA-N 1 1 245.366 3.365 10 0 BGAEMO O=C1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000223903169 357153810 /nfs/dbraw/zinc/15/38/10/357153810.db2.gz NBWXAPMCRAMPOI-CABCVRRESA-N 1 1 243.350 3.020 10 0 BGAEMO O=C1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000223903226 357153902 /nfs/dbraw/zinc/15/39/02/357153902.db2.gz NBWXAPMCRAMPOI-HUUCEWRRSA-N 1 1 243.350 3.020 10 0 BGAEMO CC[C@@]1(C)C[N@@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414529 344916752 /nfs/dbraw/zinc/91/67/52/344916752.db2.gz ULWDMBACXKZKBB-HOCLYGCPSA-N 1 1 246.398 3.039 10 0 BGAEMO CC[C@]1(C)C[N@@H+](Cc2ccccc2)[C@@H](C)CC[NH2+]1 ZINC000224414585 344916824 /nfs/dbraw/zinc/91/68/24/344916824.db2.gz ULWDMBACXKZKBB-GOEBONIOSA-N 1 1 246.398 3.039 10 0 BGAEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000224644369 363089180 /nfs/dbraw/zinc/08/91/80/363089180.db2.gz HHGZGCLUFZZBSO-CYBMUJFWSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000224644369 363089179 /nfs/dbraw/zinc/08/91/79/363089179.db2.gz HHGZGCLUFZZBSO-CYBMUJFWSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000224644416 363089109 /nfs/dbraw/zinc/08/91/09/363089109.db2.gz HHGZGCLUFZZBSO-ZDUSSCGKSA-N 1 1 228.295 3.012 10 0 BGAEMO c1coc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000224644416 363089104 /nfs/dbraw/zinc/08/91/04/363089104.db2.gz HHGZGCLUFZZBSO-ZDUSSCGKSA-N 1 1 228.295 3.012 10 0 BGAEMO CO[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000225169734 369054974 /nfs/dbraw/zinc/05/49/74/369054974.db2.gz NIEUBHHTNMTRFM-CQSZACIVSA-N 1 1 219.328 3.035 10 0 BGAEMO CO[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000225169771 369054869 /nfs/dbraw/zinc/05/48/69/369054869.db2.gz NIEUBHHTNMTRFM-AWEZNQCLSA-N 1 1 219.328 3.035 10 0 BGAEMO CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226035950 711757186 /nfs/dbraw/zinc/75/71/86/711757186.db2.gz HJBVIBGXOPMWAE-GDBMZVCRSA-N 1 1 247.382 3.016 10 0 BGAEMO CC[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226035962 640725535 /nfs/dbraw/zinc/72/55/35/640725535.db2.gz HJBVIBGXOPMWAE-GOEBONIOSA-N 1 1 247.382 3.016 10 0 BGAEMO CNc1ccc([N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226275532 132291488 /nfs/dbraw/zinc/29/14/88/132291488.db2.gz ALAYPWDKBQKDRY-LBPRGKRZSA-N 1 1 218.344 3.416 10 0 BGAEMO CNc1ccc([N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000226275532 132291486 /nfs/dbraw/zinc/29/14/86/132291486.db2.gz ALAYPWDKBQKDRY-LBPRGKRZSA-N 1 1 218.344 3.416 10 0 BGAEMO CNc1ccc([N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226275538 388714150 /nfs/dbraw/zinc/71/41/50/388714150.db2.gz ALAYPWDKBQKDRY-GFCCVEGCSA-N 1 1 218.344 3.416 10 0 BGAEMO CNc1ccc([N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000226275538 388714148 /nfs/dbraw/zinc/71/41/48/388714148.db2.gz ALAYPWDKBQKDRY-GFCCVEGCSA-N 1 1 218.344 3.416 10 0 BGAEMO Cc1cc(-n2cccc2)ccc1[NH+]1CCCC1 ZINC000226276103 387337506 /nfs/dbraw/zinc/33/75/06/387337506.db2.gz YLIIRBGNRXVFEA-UHFFFAOYSA-N 1 1 226.323 3.386 10 0 BGAEMO CCNc1ccc([NH+]2CCCCC2)c(C)c1 ZINC000226285116 535525465 /nfs/dbraw/zinc/52/54/65/535525465.db2.gz DHWAIDDWXRJRJJ-UHFFFAOYSA-N 1 1 218.344 3.417 10 0 BGAEMO CC(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287609 487706503 /nfs/dbraw/zinc/70/65/03/487706503.db2.gz JKAHGCSJMKFABA-MGPQQGTHSA-N 1 1 239.403 3.048 10 0 BGAEMO CC(C)(C)[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287614 487706668 /nfs/dbraw/zinc/70/66/68/487706668.db2.gz JKAHGCSJMKFABA-BFHYXJOUSA-N 1 1 239.403 3.048 10 0 BGAEMO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)C(F)F ZINC000226553961 342815033 /nfs/dbraw/zinc/81/50/33/342815033.db2.gz DTSLNYJJUWOPMV-ZETCQYMHSA-N 1 1 226.053 3.258 10 0 BGAEMO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)C(F)F ZINC000226553969 342815057 /nfs/dbraw/zinc/81/50/57/342815057.db2.gz DTSLNYJJUWOPMV-SSDOTTSWSA-N 1 1 226.053 3.258 10 0 BGAEMO CC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000226629552 640783162 /nfs/dbraw/zinc/78/31/62/640783162.db2.gz TYGPCPQRHWODLU-SWLSCSKDSA-N 1 1 231.339 3.049 10 0 BGAEMO CCC[C@@H]1C[C@@H]1Nc1cc[nH+]cc1Cl ZINC000226804833 385056574 /nfs/dbraw/zinc/05/65/74/385056574.db2.gz LLEXDIPHMNKQPO-KCJUWKMLSA-N 1 1 210.708 3.336 10 0 BGAEMO CCC[C@H]1C[C@@H]1Nc1cc[nH+]cc1Cl ZINC000226804841 388355473 /nfs/dbraw/zinc/35/54/73/388355473.db2.gz LLEXDIPHMNKQPO-KWQFWETISA-N 1 1 210.708 3.336 10 0 BGAEMO CCC[C@@H]1C[C@H]1Nc1cc[nH+]cc1Cl ZINC000226804847 385056513 /nfs/dbraw/zinc/05/65/13/385056513.db2.gz LLEXDIPHMNKQPO-LDYMZIIASA-N 1 1 210.708 3.336 10 0 BGAEMO CCC[C@H]1C[C@H]1Nc1cc[nH+]cc1Cl ZINC000226804856 388354983 /nfs/dbraw/zinc/35/49/83/388354983.db2.gz LLEXDIPHMNKQPO-GZMMTYOYSA-N 1 1 210.708 3.336 10 0 BGAEMO CCC[N@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858301 534948742 /nfs/dbraw/zinc/94/87/42/534948742.db2.gz SRJXJVBGJDAJST-DZGCQCFKSA-N 1 1 232.371 3.219 10 0 BGAEMO CCC[N@H+]1CC[C@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858311 534957179 /nfs/dbraw/zinc/95/71/79/534957179.db2.gz SRJXJVBGJDAJST-ZFWWWQNUSA-N 1 1 232.371 3.219 10 0 BGAEMO CC(C)C[N@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226859331 535133268 /nfs/dbraw/zinc/13/32/68/535133268.db2.gz HFSCZSXDEVDNRM-GOEBONIOSA-N 1 1 246.398 3.465 10 0 BGAEMO C[C@H](N)[C@@H]1CCCC[N@H+]1CC1CCC(C)CC1 ZINC000227485396 134384284 /nfs/dbraw/zinc/38/42/84/134384284.db2.gz DOTFAKYXKRBAQR-SHWKFHJASA-N 1 1 238.419 3.014 10 0 BGAEMO C[C@H](N)[C@H]1CCCC[N@H+]1CC1CCC(C)CC1 ZINC000227485409 134383739 /nfs/dbraw/zinc/38/37/39/134383739.db2.gz DOTFAKYXKRBAQR-OOJKYFRXSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000227539484 134382705 /nfs/dbraw/zinc/38/27/05/134382705.db2.gz CHVMIZSFMGJOKU-QLFBSQMISA-N 1 1 232.371 3.155 10 0 BGAEMO CC[C@H]([NH2+][C@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000227539498 134383008 /nfs/dbraw/zinc/38/30/08/134383008.db2.gz CHVMIZSFMGJOKU-ILXRZTDVSA-N 1 1 232.371 3.155 10 0 BGAEMO CC(C)c1ccc(C[N@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227571156 134383034 /nfs/dbraw/zinc/38/30/34/134383034.db2.gz DKHZRGLCPQHKDD-HNNXBMFYSA-N 1 1 247.382 3.014 10 0 BGAEMO CC(C)c1ccc(C[N@H+]2CC[C@H](CCO)C2)cc1 ZINC000227571161 134383120 /nfs/dbraw/zinc/38/31/20/134383120.db2.gz DKHZRGLCPQHKDD-OAHLLOKOSA-N 1 1 247.382 3.014 10 0 BGAEMO CC(C)(C)c1c[nH+]c2ccc(Cl)cn21 ZINC000228011878 371975857 /nfs/dbraw/zinc/97/58/57/371975857.db2.gz ARXWQLWEOIXGKF-UHFFFAOYSA-N 1 1 208.692 3.285 10 0 BGAEMO Oc1cccc(C[N@H+]2CC[C@H]3CCCC[C@H]32)c1 ZINC000228185894 183289468 /nfs/dbraw/zinc/28/94/68/183289468.db2.gz LMOTXNXHQDCZSI-UKRRQHHQSA-N 1 1 231.339 3.157 10 0 BGAEMO Cc1nc([C@@H](C)[NH2+]Cc2ccncc2C)cs1 ZINC000228661733 487702512 /nfs/dbraw/zinc/70/25/12/487702512.db2.gz RXOBJNPBGSJJLD-SNVBAGLBSA-N 1 1 247.367 3.006 10 0 BGAEMO Cc1nc([C@H](C)[NH2+]Cc2ccncc2C)cs1 ZINC000228661742 487702109 /nfs/dbraw/zinc/70/21/09/487702109.db2.gz RXOBJNPBGSJJLD-JTQLQIEISA-N 1 1 247.367 3.006 10 0 BGAEMO CC1(Nc2cc[nH+]cc2Br)CCC1 ZINC000228888646 351468928 /nfs/dbraw/zinc/46/89/28/351468928.db2.gz QTICQBVFHKXRKJ-UHFFFAOYSA-N 1 1 241.132 3.199 10 0 BGAEMO [NH3+][C@@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228980051 345425436 /nfs/dbraw/zinc/42/54/36/345425436.db2.gz PXTGJMFJGTVEIZ-ZETCQYMHSA-N 1 1 240.080 3.128 10 0 BGAEMO [NH3+][C@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228980060 372098986 /nfs/dbraw/zinc/09/89/86/372098986.db2.gz PXTGJMFJGTVEIZ-SSDOTTSWSA-N 1 1 240.080 3.128 10 0 BGAEMO C[C@@H]1CS[C@H](c2cccc(Cl)c2F)[NH2+]1 ZINC000229253207 345465863 /nfs/dbraw/zinc/46/58/63/345465863.db2.gz AZFMGVACVAZHOK-LHLIQPBNSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@H]1CS[C@H](c2cccc(Cl)c2F)[NH2+]1 ZINC000229253218 411190463 /nfs/dbraw/zinc/19/04/63/411190463.db2.gz AZFMGVACVAZHOK-QUBYGPBYSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@@H]1CS[C@@H](c2cccc(Cl)c2F)[NH2+]1 ZINC000229253227 411190136 /nfs/dbraw/zinc/19/01/36/411190136.db2.gz AZFMGVACVAZHOK-LDWIPMOCSA-N 1 1 231.723 3.203 10 0 BGAEMO C[C@H]1CS[C@@H](c2cccc(Cl)c2F)[NH2+]1 ZINC000229253238 345465847 /nfs/dbraw/zinc/46/58/47/345465847.db2.gz AZFMGVACVAZHOK-WKEGUHRASA-N 1 1 231.723 3.203 10 0 BGAEMO CC[C@@H]1C[C@@H]1Nc1cc[nH+]cc1Br ZINC000229540459 372161897 /nfs/dbraw/zinc/16/18/97/372161897.db2.gz XATOOELDDRUTQA-XCBNKYQSSA-N 1 1 241.132 3.055 10 0 BGAEMO CC[C@H]1C[C@@H]1Nc1cc[nH+]cc1Br ZINC000229540471 372160774 /nfs/dbraw/zinc/16/07/74/372160774.db2.gz XATOOELDDRUTQA-XVKPBYJWSA-N 1 1 241.132 3.055 10 0 BGAEMO CC[C@@H]1C[C@H]1Nc1cc[nH+]cc1Br ZINC000229540480 372161433 /nfs/dbraw/zinc/16/14/33/372161433.db2.gz XATOOELDDRUTQA-GMSGAONNSA-N 1 1 241.132 3.055 10 0 BGAEMO CC[C@H]1C[C@H]1Nc1cc[nH+]cc1Br ZINC000229540491 372161588 /nfs/dbraw/zinc/16/15/88/372161588.db2.gz XATOOELDDRUTQA-OIBJUYFYSA-N 1 1 241.132 3.055 10 0 BGAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000229874995 388802034 /nfs/dbraw/zinc/80/20/34/388802034.db2.gz DNDCKLKEPZHAAC-UKRRQHHQSA-N 1 1 241.419 3.296 10 0 BGAEMO CC[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000229875002 388801170 /nfs/dbraw/zinc/80/11/70/388801170.db2.gz DNDCKLKEPZHAAC-HIFRSBDPSA-N 1 1 241.419 3.296 10 0 BGAEMO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000229941036 342857689 /nfs/dbraw/zinc/85/76/89/342857689.db2.gz JPHZXEXOPZOJGW-QMMMGPOBSA-N 1 1 240.080 3.128 10 0 BGAEMO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000229941041 342857865 /nfs/dbraw/zinc/85/78/65/342857865.db2.gz JPHZXEXOPZOJGW-MRVPVSSYSA-N 1 1 240.080 3.128 10 0 BGAEMO Cc1[nH+]c(N)ccc1-c1sccc1Cl ZINC000229945682 342858031 /nfs/dbraw/zinc/85/80/31/342858031.db2.gz USPIMHFSHBDZDK-UHFFFAOYSA-N 1 1 224.716 3.354 10 0 BGAEMO Cc1cc(N)[nH+]cc1-c1ccc(OC2CC2)cc1 ZINC000230000494 388872797 /nfs/dbraw/zinc/87/27/97/388872797.db2.gz XXGLVEZAIZDLFP-UHFFFAOYSA-N 1 1 240.306 3.180 10 0 BGAEMO Cc1cc(-c2ccc(OC3CC3)cc2)c[nH+]c1N ZINC000230000644 324989921 /nfs/dbraw/zinc/98/99/21/324989921.db2.gz WPPFGMQVXHGTQQ-UHFFFAOYSA-N 1 1 240.306 3.180 10 0 BGAEMO CCS[C@@H]1CC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000230148623 136227930 /nfs/dbraw/zinc/22/79/30/136227930.db2.gz LYFWWAUPORRSMK-VXGBXAGGSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@H]1CC[C@@H](Nc2cc(C)cc[nH+]2)C1 ZINC000230148627 136228049 /nfs/dbraw/zinc/22/80/49/136228049.db2.gz LYFWWAUPORRSMK-NEPJUHHUSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@@H]1CC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000230148634 136227805 /nfs/dbraw/zinc/22/78/05/136227805.db2.gz LYFWWAUPORRSMK-NWDGAFQWSA-N 1 1 236.384 3.476 10 0 BGAEMO CCS[C@H]1CC[C@H](Nc2cc(C)cc[nH+]2)C1 ZINC000230148640 136228063 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ZINC000301891359 187371703 /nfs/dbraw/zinc/37/17/03/187371703.db2.gz RJHLUNUMUYBOJN-NSHDSACASA-N 1 1 247.342 3.036 10 0 BGAEMO Cc1cccc(N2CC[C@@H]3CCCC[C@H]32)[nH+]1 ZINC000302248920 179121783 /nfs/dbraw/zinc/12/17/83/179121783.db2.gz VPUXRXDPIPYXBQ-QWHCGFSZSA-N 1 1 216.328 3.159 10 0 BGAEMO CC(C)C[C@@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000302339977 592546324 /nfs/dbraw/zinc/54/63/24/592546324.db2.gz UTUJGGVISZTPLZ-SNVBAGLBSA-N 1 1 239.363 3.094 10 0 BGAEMO CC[C@@H]([NH3+])c1nc(C(C2CCC2)C2CCC2)no1 ZINC000302573273 592549672 /nfs/dbraw/zinc/54/96/72/592549672.db2.gz AKUZJZMSCIUDHE-LLVKDONJSA-N 1 1 249.358 3.163 10 0 BGAEMO CC[C@H]([NH3+])c1nc(C(C2CCC2)C2CCC2)no1 ZINC000302573276 592549522 /nfs/dbraw/zinc/54/95/22/592549522.db2.gz AKUZJZMSCIUDHE-NSHDSACASA-N 1 1 249.358 3.163 10 0 BGAEMO Cc1cc[nH+]c(N(C)Cc2ccc(C)c(F)c2)c1 ZINC000302647398 386930172 /nfs/dbraw/zinc/93/01/72/386930172.db2.gz AXGIJTUAHBIVQG-UHFFFAOYSA-N 1 1 244.313 3.474 10 0 BGAEMO COc1cccc2c(N[C@@H]3C[C@H]3C)c(C)c[nH+]c12 ZINC000302680046 175300406 /nfs/dbraw/zinc/30/04/06/175300406.db2.gz WHQTXYVRDHJMBO-BXKDBHETSA-N 1 1 242.322 3.372 10 0 BGAEMO COc1cccc2c(N[C@H]3C[C@@H]3C)c(C)c[nH+]c12 ZINC000302680047 175299794 /nfs/dbraw/zinc/29/97/94/175299794.db2.gz WHQTXYVRDHJMBO-CABZTGNLSA-N 1 1 242.322 3.372 10 0 BGAEMO COc1cccc2c(N[C@@H]3C[C@@H]3C)c(C)c[nH+]c12 ZINC000302680048 175300153 /nfs/dbraw/zinc/30/01/53/175300153.db2.gz WHQTXYVRDHJMBO-JOYOIKCWSA-N 1 1 242.322 3.372 10 0 BGAEMO COc1cccc2c(N[C@H]3C[C@H]3C)c(C)c[nH+]c12 ZINC000302680049 175300497 /nfs/dbraw/zinc/30/04/97/175300497.db2.gz WHQTXYVRDHJMBO-SKDRFNHKSA-N 1 1 242.322 3.372 10 0 BGAEMO Cc1cccc(N(C)Cc2ccc(C)c(F)c2)[nH+]1 ZINC000302734531 179118136 /nfs/dbraw/zinc/11/81/36/179118136.db2.gz VXMRBKYACMNWJK-UHFFFAOYSA-N 1 1 244.313 3.474 10 0 BGAEMO Cc1cnc([C@H](C)[NH2+]CCSC(C)(C)C)o1 ZINC000303496236 644828879 /nfs/dbraw/zinc/82/88/79/644828879.db2.gz HEXVXUFZRJLFCF-JTQLQIEISA-N 1 1 242.388 3.165 10 0 BGAEMO Cc1cnc([C@@H](C)[NH2+]CCSC(C)(C)C)o1 ZINC000303496237 644827974 /nfs/dbraw/zinc/82/79/74/644827974.db2.gz HEXVXUFZRJLFCF-SNVBAGLBSA-N 1 1 242.388 3.165 10 0 BGAEMO CCc1nc(N[C@H](CC)C(C)C)cc(C)[nH+]1 ZINC000304277466 357160949 /nfs/dbraw/zinc/16/09/49/357160949.db2.gz DRAMBGRVVKJDGP-LLVKDONJSA-N 1 1 221.348 3.194 10 0 BGAEMO CCc1nc(N[C@@H](CC)C(C)C)cc(C)[nH+]1 ZINC000304277471 357160977 /nfs/dbraw/zinc/16/09/77/357160977.db2.gz DRAMBGRVVKJDGP-NSHDSACASA-N 1 1 221.348 3.194 10 0 BGAEMO CCc1nc(N[C@H](C)C2CCCC2)cc(C)[nH+]1 ZINC000306072597 344990957 /nfs/dbraw/zinc/99/09/57/344990957.db2.gz XGPVNCYPWNHESP-LLVKDONJSA-N 1 1 233.359 3.338 10 0 BGAEMO Cc1ccc([C@H]([NH3+])c2ccsc2Cl)o1 ZINC000306158826 358952396 /nfs/dbraw/zinc/95/23/96/358952396.db2.gz DMMNGFSJDMPKRO-SECBINFHSA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])c2ccsc2Cl)o1 ZINC000306158828 358952088 /nfs/dbraw/zinc/95/20/88/358952088.db2.gz DMMNGFSJDMPKRO-VIFPVBQESA-N 1 1 227.716 3.351 10 0 BGAEMO Cc1ccc([C@@H]([NH3+])C(C)(F)F)cc1Cl ZINC000306203238 359292229 /nfs/dbraw/zinc/29/22/29/359292229.db2.gz MAGRMNVKFWJVJA-SECBINFHSA-N 1 1 219.662 3.303 10 0 BGAEMO Cc1ccc([C@H]([NH3+])C(C)(F)F)cc1Cl ZINC000306203240 359292197 /nfs/dbraw/zinc/29/21/97/359292197.db2.gz MAGRMNVKFWJVJA-VIFPVBQESA-N 1 1 219.662 3.303 10 0 BGAEMO Cc1cc(N)[nH+]cc1-c1ccsc1Cl ZINC000306217894 398130252 /nfs/dbraw/zinc/13/02/52/398130252.db2.gz DOIARLFEVCZCPD-UHFFFAOYSA-N 1 1 224.716 3.354 10 0 BGAEMO C[C@@H]1CC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000306224395 359348462 /nfs/dbraw/zinc/34/84/62/359348462.db2.gz DIWMOYNKIIMHQD-SSDOTTSWSA-N 1 1 230.566 3.089 10 0 BGAEMO C[C@H]1CC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000306224398 359348855 /nfs/dbraw/zinc/34/88/55/359348855.db2.gz DIWMOYNKIIMHQD-ZETCQYMHSA-N 1 1 230.566 3.089 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+][C@H](C)CCS1 ZINC000306344864 372012573 /nfs/dbraw/zinc/01/25/73/372012573.db2.gz NLGVQUNLMLBOMH-GMSGAONNSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+][C@@H](C)CCS1 ZINC000306344865 372012962 /nfs/dbraw/zinc/01/29/62/372012962.db2.gz NLGVQUNLMLBOMH-OIBJUYFYSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+][C@H](C)CCS1 ZINC000306344866 372012987 /nfs/dbraw/zinc/01/29/87/372012987.db2.gz NLGVQUNLMLBOMH-XCBNKYQSSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+][C@@H](C)CCS1 ZINC000306344867 372012639 /nfs/dbraw/zinc/01/26/39/372012639.db2.gz NLGVQUNLMLBOMH-XVKPBYJWSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+]CC[C@@H](C)S1 ZINC000306358899 359684887 /nfs/dbraw/zinc/68/48/87/359684887.db2.gz AKHDRWSRAYAJSP-GMSGAONNSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+]CC[C@H](C)S1 ZINC000306358900 359684964 /nfs/dbraw/zinc/68/49/64/359684964.db2.gz AKHDRWSRAYAJSP-OIBJUYFYSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+]CC[C@@H](C)S1 ZINC000306358901 359685035 /nfs/dbraw/zinc/68/50/35/359685035.db2.gz AKHDRWSRAYAJSP-XCBNKYQSSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+]CC[C@H](C)S1 ZINC000306358902 359684995 /nfs/dbraw/zinc/68/49/95/359684995.db2.gz AKHDRWSRAYAJSP-XVKPBYJWSA-N 1 1 213.371 3.170 10 0 BGAEMO C[C@@H]1CC(C)(C)[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000306386017 359742961 /nfs/dbraw/zinc/74/29/61/359742961.db2.gz BSJBUHCTGZORET-HTQZYQBOSA-N 1 1 222.159 3.053 10 0 BGAEMO C[C@H]1CC(C)(C)[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000306386018 359742726 /nfs/dbraw/zinc/74/27/26/359742726.db2.gz BSJBUHCTGZORET-JGVFFNPUSA-N 1 1 222.159 3.053 10 0 BGAEMO C[C@@H]1CC(C)(C)[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000306386019 359742920 /nfs/dbraw/zinc/74/29/20/359742920.db2.gz BSJBUHCTGZORET-SFYZADRCSA-N 1 1 222.159 3.053 10 0 BGAEMO C[C@H]1CC(C)(C)[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000306386020 359742600 /nfs/dbraw/zinc/74/26/00/359742600.db2.gz BSJBUHCTGZORET-YUMQZZPRSA-N 1 1 222.159 3.053 10 0 BGAEMO Nc1cc[nH+]c(-c2ccsc2Cl)c1 ZINC000306405545 359793212 /nfs/dbraw/zinc/79/32/12/359793212.db2.gz BEAPOIAQYDZGOB-UHFFFAOYSA-N 1 1 210.689 3.046 10 0 BGAEMO CC(C)(C)C[N@H+]1CCC=C(Br)C1 ZINC000306520430 360344468 /nfs/dbraw/zinc/34/44/68/360344468.db2.gz DQMFRWHLHZCXHX-UHFFFAOYSA-N 1 1 232.165 3.017 10 0 BGAEMO CC(C)c1cnc(C(C)(C)[NH+](C)C)s1 ZINC000306521117 360358174 /nfs/dbraw/zinc/35/81/74/360358174.db2.gz MHAOUXPZOYCZJO-UHFFFAOYSA-N 1 1 212.362 3.063 10 0 BGAEMO CC[N@@H+](C)[C@H](C)c1ccc(Cl)s1 ZINC000306521542 360359907 /nfs/dbraw/zinc/35/99/07/360359907.db2.gz GFPDHCIHJODDES-SSDOTTSWSA-N 1 1 203.738 3.414 10 0 BGAEMO CC[N@@H+](C)[C@@H](C)c1ccc(Cl)s1 ZINC000306521544 360359581 /nfs/dbraw/zinc/35/95/81/360359581.db2.gz GFPDHCIHJODDES-ZETCQYMHSA-N 1 1 203.738 3.414 10 0 BGAEMO C[C@H](c1ccc(Cl)s1)[NH+]1CCC1 ZINC000306545979 360415668 /nfs/dbraw/zinc/41/56/68/360415668.db2.gz GTAQIJOBXBLNFF-SSDOTTSWSA-N 1 1 201.722 3.168 10 0 BGAEMO C[C@@H](c1ccc(Cl)s1)[NH+]1CCC1 ZINC000306545982 360415832 /nfs/dbraw/zinc/41/58/32/360415832.db2.gz GTAQIJOBXBLNFF-ZETCQYMHSA-N 1 1 201.722 3.168 10 0 BGAEMO CCCC[C@@](C)(CN)[N@@H+](C)Cc1ccccc1 ZINC000306560300 360435657 /nfs/dbraw/zinc/43/56/57/360435657.db2.gz RNOGZEWKVPZZQC-HNNXBMFYSA-N 1 1 234.387 3.026 10 0 BGAEMO CCCC[C@@](C)(CN)[N@H+](C)Cc1ccccc1 ZINC000306560300 360435652 /nfs/dbraw/zinc/43/56/52/360435652.db2.gz RNOGZEWKVPZZQC-HNNXBMFYSA-N 1 1 234.387 3.026 10 0 BGAEMO CCCC[C@](C)(CN)[N@@H+](C)Cc1ccccc1 ZINC000306560303 360435882 /nfs/dbraw/zinc/43/58/82/360435882.db2.gz RNOGZEWKVPZZQC-OAHLLOKOSA-N 1 1 234.387 3.026 10 0 BGAEMO CCCC[C@](C)(CN)[N@H+](C)Cc1ccccc1 ZINC000306560303 360435877 /nfs/dbraw/zinc/43/58/77/360435877.db2.gz RNOGZEWKVPZZQC-OAHLLOKOSA-N 1 1 234.387 3.026 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+]C[C@@H](C)CS1 ZINC000306568495 360449394 /nfs/dbraw/zinc/44/93/94/360449394.db2.gz UWGXJZVZKGRVDU-GMSGAONNSA-N 1 1 213.371 3.028 10 0 BGAEMO Cc1sccc1[C@@H]1[NH2+]C[C@H](C)CS1 ZINC000306568496 360449527 /nfs/dbraw/zinc/44/95/27/360449527.db2.gz UWGXJZVZKGRVDU-OIBJUYFYSA-N 1 1 213.371 3.028 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+]C[C@@H](C)CS1 ZINC000306568497 360449907 /nfs/dbraw/zinc/44/99/07/360449907.db2.gz UWGXJZVZKGRVDU-XCBNKYQSSA-N 1 1 213.371 3.028 10 0 BGAEMO Cc1sccc1[C@H]1[NH2+]C[C@H](C)CS1 ZINC000306568498 360449350 /nfs/dbraw/zinc/44/93/50/360449350.db2.gz UWGXJZVZKGRVDU-XVKPBYJWSA-N 1 1 213.371 3.028 10 0 BGAEMO C[C@H]1C[N@@H+](CCC(Cl)(Cl)Cl)C[C@H]1C ZINC000306590630 360497537 /nfs/dbraw/zinc/49/75/37/360497537.db2.gz VDPFXHUZXJGSSX-OCAPTIKFSA-N 1 1 244.593 3.335 10 0 BGAEMO CCC1(Nc2cc[nH+]cc2Br)CC1 ZINC000306599314 360519899 /nfs/dbraw/zinc/51/98/99/360519899.db2.gz RGDYBCGRGZGCIZ-UHFFFAOYSA-N 1 1 241.132 3.199 10 0 BGAEMO C[C@@H]1CS[C@H](c2sccc2Cl)[NH2+]1 ZINC000306610732 360779164 /nfs/dbraw/zinc/77/91/64/360779164.db2.gz FHZVRPCRKBTGLI-SVGQVSJJSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@H]1CS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000306610734 360779556 /nfs/dbraw/zinc/77/95/56/360779556.db2.gz FHZVRPCRKBTGLI-XNCJUZBTSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@@H]1CS[C@@H](c2sccc2Cl)[NH2+]1 ZINC000306610736 360779567 /nfs/dbraw/zinc/77/95/67/360779567.db2.gz FHZVRPCRKBTGLI-XRGYYRRGSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@H]1CS[C@H](c2sccc2Cl)[NH2+]1 ZINC000306610738 360779316 /nfs/dbraw/zinc/77/93/16/360779316.db2.gz FHZVRPCRKBTGLI-YLWLKBPMSA-N 1 1 219.762 3.125 10 0 BGAEMO CCc1c(C)[nH+]c2c(C)cc(Cl)cn12 ZINC000306723230 350891935 /nfs/dbraw/zinc/89/19/35/350891935.db2.gz GQKWEXQILOKZJA-UHFFFAOYSA-N 1 1 208.692 3.167 10 0 BGAEMO CCc1[nH+]ccn1Cc1csc(Cl)c1 ZINC000306724580 372061899 /nfs/dbraw/zinc/06/18/99/372061899.db2.gz IZJNMNUUAPPUED-UHFFFAOYSA-N 1 1 226.732 3.209 10 0 BGAEMO Cc1c[nH]c(N(Cc2ccccc2)C(C)C)[nH+]1 ZINC000306725471 350895368 /nfs/dbraw/zinc/89/53/68/350895368.db2.gz XNQXCYWYJKAFIT-UHFFFAOYSA-N 1 1 229.327 3.133 10 0 BGAEMO Cc1cc(Cl)cn2c(C3CC3)c[nH+]c12 ZINC000306725706 372061601 /nfs/dbraw/zinc/06/16/01/372061601.db2.gz KXHHTXLYIQMJMQ-UHFFFAOYSA-N 1 1 206.676 3.174 10 0 BGAEMO FC1(CNc2cc[nH+]cc2Cl)CCC1 ZINC000306725764 350896571 /nfs/dbraw/zinc/89/65/71/350896571.db2.gz LEGAPFNSZKVWHH-UHFFFAOYSA-N 1 1 214.671 3.039 10 0 BGAEMO C[C@@H]1C[NH2+][C@@H](c2sccc2Cl)S1 ZINC000306741540 350930976 /nfs/dbraw/zinc/93/09/76/350930976.db2.gz DPKLPBJAIXPFSC-SVGQVSJJSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@H]1C[NH2+][C@H](c2sccc2Cl)S1 ZINC000306741541 350930760 /nfs/dbraw/zinc/93/07/60/350930760.db2.gz DPKLPBJAIXPFSC-XNCJUZBTSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@@H]1C[NH2+][C@H](c2sccc2Cl)S1 ZINC000306741542 350931025 /nfs/dbraw/zinc/93/10/25/350931025.db2.gz DPKLPBJAIXPFSC-XRGYYRRGSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@H]1C[NH2+][C@@H](c2sccc2Cl)S1 ZINC000306741543 350932138 /nfs/dbraw/zinc/93/21/38/350932138.db2.gz DPKLPBJAIXPFSC-YLWLKBPMSA-N 1 1 219.762 3.125 10 0 BGAEMO C[C@H](c1ccccc1Br)[NH+]1CCC1 ZINC000306760799 350985088 /nfs/dbraw/zinc/98/50/88/350985088.db2.gz RKIQVJBWURNENN-SECBINFHSA-N 1 1 240.144 3.216 10 0 BGAEMO C[C@@H](c1ccccc1Br)[NH+]1CCC1 ZINC000306760802 350985280 /nfs/dbraw/zinc/98/52/80/350985280.db2.gz RKIQVJBWURNENN-VIFPVBQESA-N 1 1 240.144 3.216 10 0 BGAEMO Cl/C=C(/Cl)C[N@H+]1C[C@@H]2CCCC[C@H]21 ZINC000306791728 398326035 /nfs/dbraw/zinc/32/60/35/398326035.db2.gz YTDPDXKWYCGCHZ-UHHLUOIISA-N 1 1 220.143 3.180 10 0 BGAEMO Cl/C=C(/Cl)C[N@@H+]1C[C@@H]2CCCC[C@H]21 ZINC000306791728 398326033 /nfs/dbraw/zinc/32/60/33/398326033.db2.gz YTDPDXKWYCGCHZ-UHHLUOIISA-N 1 1 220.143 3.180 10 0 BGAEMO Cc1cc([C@@H]2[NH2+]CC[C@@H](C)S2)cs1 ZINC000306794755 351043569 /nfs/dbraw/zinc/04/35/69/351043569.db2.gz TYEAOJHFVGKRNF-GMSGAONNSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@@H]2[NH2+]CC[C@H](C)S2)cs1 ZINC000306794756 351043731 /nfs/dbraw/zinc/04/37/31/351043731.db2.gz TYEAOJHFVGKRNF-OIBJUYFYSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@H]2[NH2+]CC[C@@H](C)S2)cs1 ZINC000306794757 351043985 /nfs/dbraw/zinc/04/39/85/351043985.db2.gz TYEAOJHFVGKRNF-XCBNKYQSSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@H]2[NH2+]CC[C@H](C)S2)cs1 ZINC000306794758 351042161 /nfs/dbraw/zinc/04/21/61/351042161.db2.gz TYEAOJHFVGKRNF-XVKPBYJWSA-N 1 1 213.371 3.170 10 0 BGAEMO CCC(C)(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000307000973 351413742 /nfs/dbraw/zinc/41/37/42/351413742.db2.gz DSYBCKIJXDTXHT-UHFFFAOYSA-N 1 1 233.355 3.124 10 0 BGAEMO CCC(C)(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000307000973 351413738 /nfs/dbraw/zinc/41/37/38/351413738.db2.gz DSYBCKIJXDTXHT-UHFFFAOYSA-N 1 1 233.355 3.124 10 0 BGAEMO Nc1cccc(Nc2ccsc2Cl)[nH+]1 ZINC000307013837 351418857 /nfs/dbraw/zinc/41/88/57/351418857.db2.gz MEVFHJBJXHWKOQ-UHFFFAOYSA-N 1 1 225.704 3.122 10 0 BGAEMO C[C@@H](CC(F)F)Nc1cc[nH+]cc1Cl ZINC000307027751 397974296 /nfs/dbraw/zinc/97/42/96/397974296.db2.gz KFLMDPKQTLEJEQ-LURJTMIESA-N 1 1 220.650 3.191 10 0 BGAEMO C[C@H](CC(F)F)Nc1cc[nH+]cc1Cl ZINC000307027753 397974090 /nfs/dbraw/zinc/97/40/90/397974090.db2.gz KFLMDPKQTLEJEQ-ZCFIWIBFSA-N 1 1 220.650 3.191 10 0 BGAEMO Cc1cc([C@@H]2[NH2+][C@H](C)CCS2)cs1 ZINC000307069086 351463391 /nfs/dbraw/zinc/46/33/91/351463391.db2.gz ZDLUEHYPIGLRGY-GMSGAONNSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@@H]2[NH2+][C@@H](C)CCS2)cs1 ZINC000307069087 351463489 /nfs/dbraw/zinc/46/34/89/351463489.db2.gz ZDLUEHYPIGLRGY-OIBJUYFYSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@H]2[NH2+][C@H](C)CCS2)cs1 ZINC000307069088 351463484 /nfs/dbraw/zinc/46/34/84/351463484.db2.gz ZDLUEHYPIGLRGY-XCBNKYQSSA-N 1 1 213.371 3.170 10 0 BGAEMO Cc1cc([C@H]2[NH2+][C@@H](C)CCS2)cs1 ZINC000307069089 351463388 /nfs/dbraw/zinc/46/33/88/351463388.db2.gz ZDLUEHYPIGLRGY-XVKPBYJWSA-N 1 1 213.371 3.170 10 0 BGAEMO BrC1=CCC[N@@H+](CC=C2CCC2)C1 ZINC000307095126 353054011 /nfs/dbraw/zinc/05/40/11/353054011.db2.gz OPTOBKAJJCETJS-UHFFFAOYSA-N 1 1 242.160 3.081 10 0 BGAEMO BrC1=CCC[N@H+](CC=C2CCC2)C1 ZINC000307095126 353054008 /nfs/dbraw/zinc/05/40/08/353054008.db2.gz OPTOBKAJJCETJS-UHFFFAOYSA-N 1 1 242.160 3.081 10 0 BGAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)n1cccc1 ZINC000307153723 351506664 /nfs/dbraw/zinc/50/66/64/351506664.db2.gz CZNQEVHPLULXNE-AWEZNQCLSA-N 1 1 228.339 3.181 10 0 BGAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)n1cccc1 ZINC000307153724 351506783 /nfs/dbraw/zinc/50/67/83/351506783.db2.gz CZNQEVHPLULXNE-CQSZACIVSA-N 1 1 228.339 3.181 10 0 BGAEMO [NH3+][C@@H](c1ccco1)c1ccsc1Cl ZINC000307157296 351508359 /nfs/dbraw/zinc/50/83/59/351508359.db2.gz PYLFFADQJNGNII-MRVPVSSYSA-N 1 1 213.689 3.043 10 0 BGAEMO [NH3+][C@H](c1ccco1)c1ccsc1Cl ZINC000307157297 351508322 /nfs/dbraw/zinc/50/83/22/351508322.db2.gz PYLFFADQJNGNII-QMMMGPOBSA-N 1 1 213.689 3.043 10 0 BGAEMO CCN(Cc1ccccc1)[C@](C)(CC)[C@H](C)[NH3+] ZINC000307158968 372089910 /nfs/dbraw/zinc/08/99/10/372089910.db2.gz BYFQPBMAGHTTNV-DZGCQCFKSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@@H+](Cc1ccccc1)[C@](C)(CC)[C@H](C)N ZINC000307158968 372089906 /nfs/dbraw/zinc/08/99/06/372089906.db2.gz BYFQPBMAGHTTNV-DZGCQCFKSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@H+](Cc1ccccc1)[C@](C)(CC)[C@H](C)N ZINC000307158968 372089900 /nfs/dbraw/zinc/08/99/00/372089900.db2.gz BYFQPBMAGHTTNV-DZGCQCFKSA-N 1 1 234.387 3.024 10 0 BGAEMO CCN(Cc1ccccc1)[C@@](C)(CC)[C@@H](C)[NH3+] ZINC000307158969 372088899 /nfs/dbraw/zinc/08/88/99/372088899.db2.gz BYFQPBMAGHTTNV-HIFRSBDPSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@@H+](Cc1ccccc1)[C@@](C)(CC)[C@@H](C)N ZINC000307158969 372088896 /nfs/dbraw/zinc/08/88/96/372088896.db2.gz BYFQPBMAGHTTNV-HIFRSBDPSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@H+](Cc1ccccc1)[C@@](C)(CC)[C@@H](C)N ZINC000307158969 372088891 /nfs/dbraw/zinc/08/88/91/372088891.db2.gz BYFQPBMAGHTTNV-HIFRSBDPSA-N 1 1 234.387 3.024 10 0 BGAEMO CCN(Cc1ccccc1)[C@](C)(CC)[C@@H](C)[NH3+] ZINC000307158970 372089540 /nfs/dbraw/zinc/08/95/40/372089540.db2.gz BYFQPBMAGHTTNV-UKRRQHHQSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@@H+](Cc1ccccc1)[C@](C)(CC)[C@@H](C)N ZINC000307158970 372089536 /nfs/dbraw/zinc/08/95/36/372089536.db2.gz BYFQPBMAGHTTNV-UKRRQHHQSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@H+](Cc1ccccc1)[C@](C)(CC)[C@@H](C)N ZINC000307158970 372089531 /nfs/dbraw/zinc/08/95/31/372089531.db2.gz BYFQPBMAGHTTNV-UKRRQHHQSA-N 1 1 234.387 3.024 10 0 BGAEMO CCN(Cc1ccccc1)[C@@](C)(CC)[C@H](C)[NH3+] ZINC000307158971 372089858 /nfs/dbraw/zinc/08/98/58/372089858.db2.gz BYFQPBMAGHTTNV-ZFWWWQNUSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@@H+](Cc1ccccc1)[C@@](C)(CC)[C@H](C)N ZINC000307158971 372089854 /nfs/dbraw/zinc/08/98/54/372089854.db2.gz BYFQPBMAGHTTNV-ZFWWWQNUSA-N 1 1 234.387 3.024 10 0 BGAEMO CC[N@H+](Cc1ccccc1)[C@@](C)(CC)[C@H](C)N ZINC000307158971 372089849 /nfs/dbraw/zinc/08/98/49/372089849.db2.gz BYFQPBMAGHTTNV-ZFWWWQNUSA-N 1 1 234.387 3.024 10 0 BGAEMO [NH3+][C@H](c1csc(Cl)c1)c1ccco1 ZINC000307289604 351853632 /nfs/dbraw/zinc/85/36/32/351853632.db2.gz YWEGRYPHHRKEDL-SECBINFHSA-N 1 1 213.689 3.043 10 0 BGAEMO [NH3+][C@@H](c1csc(Cl)c1)c1ccco1 ZINC000307289605 351853034 /nfs/dbraw/zinc/85/30/34/351853034.db2.gz YWEGRYPHHRKEDL-VIFPVBQESA-N 1 1 213.689 3.043 10 0 BGAEMO Cc1cc([C@@H]2[NH2+]C[C@@H](C)CS2)cs1 ZINC000307736276 353120771 /nfs/dbraw/zinc/12/07/71/353120771.db2.gz ZPYHQDGCGJIATE-GMSGAONNSA-N 1 1 213.371 3.028 10 0 BGAEMO Cc1cc([C@@H]2[NH2+]C[C@H](C)CS2)cs1 ZINC000307736277 353120594 /nfs/dbraw/zinc/12/05/94/353120594.db2.gz ZPYHQDGCGJIATE-OIBJUYFYSA-N 1 1 213.371 3.028 10 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ZINC000309741109 487541143 /nfs/dbraw/zinc/54/11/43/487541143.db2.gz HTKCBDAHULNNNM-IHRRRGAJSA-N 1 1 227.392 3.048 10 0 BGAEMO CCCC[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000309741110 487541032 /nfs/dbraw/zinc/54/10/32/487541032.db2.gz HTKCBDAHULNNNM-MELADBBJSA-N 1 1 227.392 3.048 10 0 BGAEMO CCCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000309741111 487540848 /nfs/dbraw/zinc/54/08/48/487540848.db2.gz HTKCBDAHULNNNM-MJBXVCDLSA-N 1 1 227.392 3.048 10 0 BGAEMO Cc1nc([C@@H](C)Nc2cccc(C)[nH+]2)cs1 ZINC000309744162 179157716 /nfs/dbraw/zinc/15/77/16/179157716.db2.gz FCYRZGLFAGSDDP-SECBINFHSA-N 1 1 233.340 3.328 10 0 BGAEMO Cc1nc([C@H](C)Nc2cccc(C)[nH+]2)cs1 ZINC000309744163 179152817 /nfs/dbraw/zinc/15/28/17/179152817.db2.gz FCYRZGLFAGSDDP-VIFPVBQESA-N 1 1 233.340 3.328 10 0 BGAEMO CCCC[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000310019672 528556614 /nfs/dbraw/zinc/55/66/14/528556614.db2.gz MOYWOPNPJCPBSJ-GFCCVEGCSA-N 1 1 227.298 3.253 10 0 BGAEMO CCCC[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000310019673 384564690 /nfs/dbraw/zinc/56/46/90/384564690.db2.gz MOYWOPNPJCPBSJ-LBPRGKRZSA-N 1 1 227.298 3.253 10 0 BGAEMO C[C@H](CCC(C)(C)C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310074235 388475882 /nfs/dbraw/zinc/47/58/82/388475882.db2.gz FNKLOIHKSABMJJ-UMVBOHGHSA-N 1 1 240.435 3.118 10 0 BGAEMO C[C@H](CCC(C)(C)C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310074235 388475879 /nfs/dbraw/zinc/47/58/79/388475879.db2.gz FNKLOIHKSABMJJ-UMVBOHGHSA-N 1 1 240.435 3.118 10 0 BGAEMO C[C@H](CCC(C)(C)C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310074235 388475876 /nfs/dbraw/zinc/47/58/76/388475876.db2.gz FNKLOIHKSABMJJ-UMVBOHGHSA-N 1 1 240.435 3.118 10 0 BGAEMO CC(=O)[C@@H]1CCC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000310074523 634186152 /nfs/dbraw/zinc/18/61/52/634186152.db2.gz RXJHJLSDUQHEHR-CABCVRRESA-N 1 1 235.371 3.176 10 0 BGAEMO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310083700 388475745 /nfs/dbraw/zinc/47/57/45/388475745.db2.gz LRQIHPCBVPJCHM-LJISPDSOSA-N 1 1 240.435 3.118 10 0 BGAEMO CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310083700 388475741 /nfs/dbraw/zinc/47/57/41/388475741.db2.gz LRQIHPCBVPJCHM-LJISPDSOSA-N 1 1 240.435 3.118 10 0 BGAEMO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310083700 388475740 /nfs/dbraw/zinc/47/57/40/388475740.db2.gz LRQIHPCBVPJCHM-LJISPDSOSA-N 1 1 240.435 3.118 10 0 BGAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000310115618 388475589 /nfs/dbraw/zinc/47/55/89/388475589.db2.gz SDDCQWAWDNKNQC-KKUMJFAQSA-N 1 1 239.403 3.048 10 0 BGAEMO CC(C)C[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000310115621 388475569 /nfs/dbraw/zinc/47/55/69/388475569.db2.gz SDDCQWAWDNKNQC-RRFJBIMHSA-N 1 1 239.403 3.048 10 0 BGAEMO CC(C)C[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000310115624 388475319 /nfs/dbraw/zinc/47/53/19/388475319.db2.gz SDDCQWAWDNKNQC-SOUVJXGZSA-N 1 1 239.403 3.048 10 0 BGAEMO CC(C)C[C@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000310115627 388475790 /nfs/dbraw/zinc/47/57/90/388475790.db2.gz 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Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C(C)C)o1 ZINC000337205928 388850469 /nfs/dbraw/zinc/85/04/69/388850469.db2.gz LNIOIIXHZKRLEV-LBPRGKRZSA-N 1 1 247.342 3.216 10 0 BGAEMO CCC1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000339136611 386267262 /nfs/dbraw/zinc/26/72/62/386267262.db2.gz MEXBHGXFGJPVDT-UHFFFAOYSA-N 1 1 244.342 3.339 10 0 BGAEMO Cc1ccc([C@@H](C)Nc2[nH+]cnc3[nH]ccc32)o1 ZINC000339239071 178852052 /nfs/dbraw/zinc/85/20/52/178852052.db2.gz MLGYGAJOVZJXHP-SECBINFHSA-N 1 1 242.282 3.032 10 0 BGAEMO Cc1ccc([C@H](C)Nc2[nH+]cnc3[nH]ccc32)o1 ZINC000339239074 386315028 /nfs/dbraw/zinc/31/50/28/386315028.db2.gz MLGYGAJOVZJXHP-VIFPVBQESA-N 1 1 242.282 3.032 10 0 BGAEMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccs1 ZINC000339241361 386320177 /nfs/dbraw/zinc/32/01/77/386320177.db2.gz VMHBKTYDQSKZCM-MRVPVSSYSA-N 1 1 244.323 3.193 10 0 BGAEMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1cccs1 ZINC000339241362 386320023 /nfs/dbraw/zinc/32/00/23/386320023.db2.gz VMHBKTYDQSKZCM-QMMMGPOBSA-N 1 1 244.323 3.193 10 0 BGAEMO 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BGAEMO C[C@@H](C[N@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000342613033 388497245 /nfs/dbraw/zinc/49/72/45/388497245.db2.gz CGMCTMYDTMSDSX-HOCLYGCPSA-N 1 1 247.382 3.027 10 0 BGAEMO C[C@H](C[N@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000342613034 385150159 /nfs/dbraw/zinc/15/01/59/385150159.db2.gz CGMCTMYDTMSDSX-ZBFHGGJFSA-N 1 1 247.382 3.027 10 0 BGAEMO CCc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)nc1 ZINC000345104096 388511228 /nfs/dbraw/zinc/51/12/28/388511228.db2.gz QLCRVQKJFBEJHR-GFCCVEGCSA-N 1 1 244.338 3.396 10 0 BGAEMO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)nc1 ZINC000345104100 383825051 /nfs/dbraw/zinc/82/50/51/383825051.db2.gz QLCRVQKJFBEJHR-LBPRGKRZSA-N 1 1 244.338 3.396 10 0 BGAEMO Cc1c[nH]nc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000352809211 387501937 /nfs/dbraw/zinc/50/19/37/387501937.db2.gz GCKPJBHNNOLEKW-NSHDSACASA-N 1 1 247.317 3.016 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2C)cc1 ZINC000352853807 386742023 /nfs/dbraw/zinc/74/20/23/386742023.db2.gz OWBCQGLNBJASAN-GFCCVEGCSA-N 1 1 243.354 3.131 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2C)cc1 ZINC000352853808 386743382 /nfs/dbraw/zinc/74/33/82/386743382.db2.gz OWBCQGLNBJASAN-LBPRGKRZSA-N 1 1 243.354 3.131 10 0 BGAEMO Cc1ccc(C(=O)CC[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000360146129 387230715 /nfs/dbraw/zinc/23/07/15/387230715.db2.gz ABEFCZMYSSFIAK-CABCVRRESA-N 1 1 243.350 3.052 10 0 BGAEMO Cc1ccc(C(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000360146133 188069098 /nfs/dbraw/zinc/06/90/98/188069098.db2.gz ABEFCZMYSSFIAK-GJZGRUSLSA-N 1 1 243.350 3.052 10 0 BGAEMO Cc1ccc(C(=O)CC[N@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000360146135 188241205 /nfs/dbraw/zinc/24/12/05/188241205.db2.gz ABEFCZMYSSFIAK-HUUCEWRRSA-N 1 1 243.350 3.052 10 0 BGAEMO Cc1ccc(C(=O)CC[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000360146137 387231120 /nfs/dbraw/zinc/23/11/20/387231120.db2.gz ABEFCZMYSSFIAK-LSDHHAIUSA-N 1 1 243.350 3.052 10 0 BGAEMO CC1(C)C[N@@H+](Cc2cccc(N)c2)[C@@H]2CCC[C@@H]21 ZINC000378766166 712360241 /nfs/dbraw/zinc/36/02/41/712360241.db2.gz BLMVRCLRCMFNPB-LSDHHAIUSA-N 1 1 244.382 3.279 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000379806569 488150478 /nfs/dbraw/zinc/15/04/78/488150478.db2.gz OBZODUOECRHQJS-BARDWOONSA-N 1 1 239.403 3.048 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000379806575 488150234 /nfs/dbraw/zinc/15/02/34/488150234.db2.gz OBZODUOECRHQJS-KBXIAJHMSA-N 1 1 239.403 3.048 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379806577 488150558 /nfs/dbraw/zinc/15/05/58/488150558.db2.gz OBZODUOECRHQJS-QPSCCSFWSA-N 1 1 239.403 3.048 10 0 BGAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000379806583 488151010 /nfs/dbraw/zinc/15/10/10/488151010.db2.gz OBZODUOECRHQJS-TUVASFSCSA-N 1 1 239.403 3.048 10 0 BGAEMO CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000379848998 488153650 /nfs/dbraw/zinc/15/36/50/488153650.db2.gz DKEVWIWYFZLRLD-KFWWJZLASA-N 1 1 239.403 3.192 10 0 BGAEMO CC[C@@H]1CCCCC[N@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000379849040 488153270 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C[N@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616600437 350780759 /nfs/dbraw/zinc/78/07/59/350780759.db2.gz AALLUYSIMUFZJN-NSHDSACASA-N 1 1 207.292 3.025 10 0 BGAEMO C[N@H+]1CCC[C@H](c2ccnc3ccccc32)CC1 ZINC000616600470 350780306 /nfs/dbraw/zinc/78/03/06/350780306.db2.gz ANOQYPIYEMCWDO-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cccc3cccnc32)CC1 ZINC000616600505 350780247 /nfs/dbraw/zinc/78/02/47/350780247.db2.gz BMAPTAJIRORMFS-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cnoc2)CC1 ZINC000616600524 350780263 /nfs/dbraw/zinc/78/02/63/350780263.db2.gz CKDDHPYUFOFANT-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616600529 350780611 /nfs/dbraw/zinc/78/06/11/350780611.db2.gz CQDSVBIKNOKVLO-ZDUSSCGKSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000616600538 350780228 /nfs/dbraw/zinc/78/02/28/350780228.db2.gz DCQHGYKMRRQWRQ-AWEZNQCLSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](C(F)(F)F)CC1 ZINC000616600581 350780240 /nfs/dbraw/zinc/78/02/40/350780240.db2.gz GVJCXIHLOWPBJX-SECBINFHSA-N 1 1 223.282 3.449 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2ccccc2NC)CC1 ZINC000616600738 350783518 /nfs/dbraw/zinc/78/35/18/350783518.db2.gz GARCVCLMULBHRI-ZDUSSCGKSA-N 1 1 232.371 3.318 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616600838 350780546 /nfs/dbraw/zinc/78/05/46/350780546.db2.gz IALTVALOPBMZGC-CYBMUJFWSA-N 1 1 232.371 3.450 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cccc3ccncc32)CC1 ZINC000616600947 350781628 /nfs/dbraw/zinc/78/16/28/350781628.db2.gz HZPSJHBCDQGAMO-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616601054 350781724 /nfs/dbraw/zinc/78/17/24/350781724.db2.gz KEJKHKNIDNIMKL-CYBMUJFWSA-N 1 1 247.386 3.147 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cnco2)CC1 ZINC000616601105 350781808 /nfs/dbraw/zinc/78/18/08/350781808.db2.gz KOEGWFRQNFJHIE-LLVKDONJSA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616601109 350781065 /nfs/dbraw/zinc/78/10/65/350781065.db2.gz KTMGNAIGFJOMMT-CYBMUJFWSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cnco2)CC1 ZINC000616601150 350781467 /nfs/dbraw/zinc/78/14/67/350781467.db2.gz KOEGWFRQNFJHIE-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616601153 350781223 /nfs/dbraw/zinc/78/12/23/350781223.db2.gz KTMGNAIGFJOMMT-ZDUSSCGKSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616601154 350781814 /nfs/dbraw/zinc/78/18/14/350781814.db2.gz KUZOXZAOSFRZSY-ZDUSSCGKSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616601178 350781718 /nfs/dbraw/zinc/78/17/18/350781718.db2.gz KUZOXZAOSFRZSY-CYBMUJFWSA-N 1 1 218.344 3.060 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616601190 350781154 /nfs/dbraw/zinc/78/11/54/350781154.db2.gz AEQWYBYOMCYEHW-ZDUSSCGKSA-N 1 1 221.319 3.415 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616601193 350781488 /nfs/dbraw/zinc/78/14/88/350781488.db2.gz AHJWZDNRGPEBJG-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616601240 350781844 /nfs/dbraw/zinc/78/18/44/350781844.db2.gz NAJKEKRVXPYACY-LLVKDONJSA-N 1 1 222.332 3.043 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2ccc(OC)cc2)C1 ZINC000616601244 350781792 /nfs/dbraw/zinc/78/17/92/350781792.db2.gz BBWDUEOEMKZRSS-AWEZNQCLSA-N 1 1 233.355 3.285 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ccno2)CC1 ZINC000616601391 350782408 /nfs/dbraw/zinc/78/24/08/350782408.db2.gz OOGCTENTEHRCHW-LLVKDONJSA-N 1 1 222.332 3.043 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cccc3cnccc32)CC1 ZINC000616601519 350782339 /nfs/dbraw/zinc/78/23/39/350782339.db2.gz MANSWTHORORTNX-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616601600 350782602 /nfs/dbraw/zinc/78/26/02/350782602.db2.gz DFPTWNKTIFMWPY-NSHDSACASA-N 1 1 207.292 3.025 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2nccc3ccccc32)C1 ZINC000616601614 350782364 /nfs/dbraw/zinc/78/23/64/350782364.db2.gz DKVOWZDCRDNCMZ-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616601652 350782642 /nfs/dbraw/zinc/78/26/42/350782642.db2.gz DSBBIPBCJGDFTI-ZDUSSCGKSA-N 1 1 221.319 3.415 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616601751 350786809 /nfs/dbraw/zinc/78/68/09/350786809.db2.gz FORRVKMPWCIEQU-HNNXBMFYSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cocn2)CC1 ZINC000616601758 350786933 /nfs/dbraw/zinc/78/69/33/350786933.db2.gz NAJKEKRVXPYACY-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO C[N@H+]1CCC[C@H](c2ccc3ncccc3c2)CC1 ZINC000616601999 350790764 /nfs/dbraw/zinc/79/07/64/350790764.db2.gz PJJKBSISSQJIOG-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616602075 350790940 /nfs/dbraw/zinc/79/09/40/350790940.db2.gz RVFFHWKAFWIIJO-CYBMUJFWSA-N 1 1 232.371 3.450 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616602087 350790916 /nfs/dbraw/zinc/79/09/16/350790916.db2.gz GUKQJOIIIYWNAR-HNNXBMFYSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cccc3ncccc32)C1 ZINC000616602104 350791059 /nfs/dbraw/zinc/79/10/59/350791059.db2.gz GVSWYQQXBRWXJY-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cccc(N)n2)CC1 ZINC000616602111 350791128 /nfs/dbraw/zinc/79/11/28/350791128.db2.gz XAJOPNOZUVRCGQ-LBPRGKRZSA-N 1 1 247.386 3.032 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2cccc(NC)c2)C1 ZINC000616602117 350791085 /nfs/dbraw/zinc/79/10/85/350791085.db2.gz HABARVBCJXGYAI-AWEZNQCLSA-N 1 1 232.371 3.318 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cccc3ccncc32)C1 ZINC000616602135 350791001 /nfs/dbraw/zinc/79/10/01/350791001.db2.gz HBHKIRZSENUNSE-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616602185 350790518 /nfs/dbraw/zinc/79/05/18/350790518.db2.gz HWRWCEJEERAWQP-INIZCTEOSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616602201 350790700 /nfs/dbraw/zinc/79/07/00/350790700.db2.gz UOAGSLATTRPQNP-OAHLLOKOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2ccc(NC)cc2)C1 ZINC000616602205 350790804 /nfs/dbraw/zinc/79/08/04/350790804.db2.gz IJOXCSFHHOBWHY-AWEZNQCLSA-N 1 1 232.371 3.318 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616602258 350790908 /nfs/dbraw/zinc/79/09/08/350790908.db2.gz WFPAFLRJDVBAKU-OAHLLOKOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616602267 350790770 /nfs/dbraw/zinc/79/07/70/350790770.db2.gz WQVODIUSDICKLV-LLVKDONJSA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616602294 350790648 /nfs/dbraw/zinc/79/06/48/350790648.db2.gz XAJOPNOZUVRCGQ-GFCCVEGCSA-N 1 1 247.386 3.032 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccnc3ccccc32)C1 ZINC000616602299 350791123 /nfs/dbraw/zinc/79/11/23/350791123.db2.gz KKIOOOTWYBJGFU-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cncc3ccccc32)C1 ZINC000616602582 350791776 /nfs/dbraw/zinc/79/17/76/350791776.db2.gz MOAGNIDHYULTSD-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2cccc(N)c2)CC1 ZINC000616602829 350788272 /nfs/dbraw/zinc/78/82/72/350788272.db2.gz SUELFAWRVSXHIY-ZDUSSCGKSA-N 1 1 232.371 3.247 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cccc3cnccc32)C1 ZINC000616602891 350788427 /nfs/dbraw/zinc/78/84/27/350788427.db2.gz PNKGPYHYISIBIY-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2ccccc2OC)C1 ZINC000616602945 350789332 /nfs/dbraw/zinc/78/93/32/350789332.db2.gz QMYKUOKOCBHGTB-ZDUSSCGKSA-N 1 1 233.355 3.285 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000616602973 350788897 /nfs/dbraw/zinc/78/88/97/350788897.db2.gz UNOQWXBAFLTOER-ZDUSSCGKSA-N 1 1 232.371 3.247 10 0 BGAEMO CC(C)[N@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616602978 350788925 /nfs/dbraw/zinc/78/89/25/350788925.db2.gz UOAGSLATTRPQNP-HNNXBMFYSA-N 1 1 247.382 3.157 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616603059 350789394 /nfs/dbraw/zinc/78/93/94/350789394.db2.gz RVWGDQNVHIBOTN-HNNXBMFYSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616603086 350788821 /nfs/dbraw/zinc/78/88/21/350788821.db2.gz ASIXDPKFGIYXKL-ZDUSSCGKSA-N 1 1 232.371 3.450 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616603210 350788935 /nfs/dbraw/zinc/78/89/35/350788935.db2.gz CUEFOERTHRYKPV-AWEZNQCLSA-N 1 1 232.371 3.450 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](C(F)F)C1 ZINC000616603277 350789267 /nfs/dbraw/zinc/78/92/67/350789267.db2.gz FHOFRFULCMVPOU-VIFPVBQESA-N 1 1 205.292 3.152 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616603430 350789940 /nfs/dbraw/zinc/78/99/40/350789940.db2.gz UMJBXOUOTSRGHX-LBPRGKRZSA-N 1 1 207.292 3.025 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@H](c2ncco2)CC1 ZINC000616603432 350790049 /nfs/dbraw/zinc/79/00/49/350790049.db2.gz WQVODIUSDICKLV-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616603520 350790124 /nfs/dbraw/zinc/79/01/24/350790124.db2.gz VOJBOKWYJZELDN-LBPRGKRZSA-N 1 1 221.319 3.415 10 0 BGAEMO CC[N@H+]1CCCC[C@H](c2cccc(OC)c2)C1 ZINC000616603563 350789699 /nfs/dbraw/zinc/78/96/99/350789699.db2.gz WHUHATLOSZRJKY-AWEZNQCLSA-N 1 1 233.355 3.285 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cccc3ncccc32)CC1 ZINC000616603573 350789972 /nfs/dbraw/zinc/78/99/72/350789972.db2.gz YMLHXZKKAPPXJB-ZDUSSCGKSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616603732 350790221 /nfs/dbraw/zinc/79/02/21/350790221.db2.gz HDUCLBDHDAKXBG-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616603742 350790225 /nfs/dbraw/zinc/79/02/25/350790225.db2.gz HGGXQAMECHECAU-AWEZNQCLSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cccc(N)n2)C1 ZINC000616603827 384807581 /nfs/dbraw/zinc/80/75/81/384807581.db2.gz IRVLICGWUKAOAZ-LBPRGKRZSA-N 1 1 247.386 3.032 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603944 350795508 /nfs/dbraw/zinc/79/55/08/350795508.db2.gz KPAVRQLMORGWKI-AWEZNQCLSA-N 1 1 232.371 3.450 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616603997 350791970 /nfs/dbraw/zinc/79/19/70/350791970.db2.gz YZLAMBUMGZTISJ-HNNXBMFYSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616604004 350792882 /nfs/dbraw/zinc/79/28/82/350792882.db2.gz ZFPGZOYSCYEZMB-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ncccn1 ZINC000616604071 350792870 /nfs/dbraw/zinc/79/28/70/350792870.db2.gz AGZXOFHPCRAXOP-GFCCVEGCSA-N 1 1 233.359 3.192 10 0 BGAEMO C[N@H+]1CCCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616604217 350792592 /nfs/dbraw/zinc/79/25/92/350792592.db2.gz BMIQKENCCHOIQQ-OAHLLOKOSA-N 1 1 241.338 3.177 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616604288 369100867 /nfs/dbraw/zinc/10/08/67/369100867.db2.gz KXACDADTOIUDTK-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616604318 350792799 /nfs/dbraw/zinc/79/27/99/350792799.db2.gz LZNYBSWWWXBJOH-INIZCTEOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cnc[nH]1 ZINC000616604329 350792727 /nfs/dbraw/zinc/79/27/27/350792727.db2.gz CDMFTPXBDLHXDS-GFCCVEGCSA-N 1 1 221.348 3.125 10 0 BGAEMO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cnc[nH]1 ZINC000616604329 350792725 /nfs/dbraw/zinc/79/27/25/350792725.db2.gz CDMFTPXBDLHXDS-GFCCVEGCSA-N 1 1 221.348 3.125 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616604329 350792721 /nfs/dbraw/zinc/79/27/21/350792721.db2.gz CDMFTPXBDLHXDS-GFCCVEGCSA-N 1 1 221.348 3.125 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616604335 350792475 /nfs/dbraw/zinc/79/24/75/350792475.db2.gz MHJCXUCESODLHP-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616604360 350793287 /nfs/dbraw/zinc/79/32/87/350793287.db2.gz CUEFOERTHRYKPV-CQSZACIVSA-N 1 1 232.371 3.450 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cocn2)C1 ZINC000616604412 350793301 /nfs/dbraw/zinc/79/33/01/350793301.db2.gz NNYJVOIIFCWAHD-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616604438 350793217 /nfs/dbraw/zinc/79/32/17/350793217.db2.gz OQHACJSHRUPWQY-AWEZNQCLSA-N 1 1 232.371 3.247 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616604464 350793357 /nfs/dbraw/zinc/79/33/57/350793357.db2.gz PQWBQYMAHWAXPN-NSHDSACASA-N 1 1 222.332 3.043 10 0 BGAEMO C[N@H+]1CCCCC[C@@H]1c1cccc2nnccc21 ZINC000616604469 350793279 /nfs/dbraw/zinc/79/32/79/350793279.db2.gz DGNZXJRBBDBNHW-OAHLLOKOSA-N 1 1 241.338 3.177 10 0 BGAEMO CC[N@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616604471 350793473 /nfs/dbraw/zinc/79/34/73/350793473.db2.gz DSBBIPBCJGDFTI-CYBMUJFWSA-N 1 1 221.319 3.415 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616604507 350793454 /nfs/dbraw/zinc/79/34/54/350793454.db2.gz DUFMDDHHIVRYFD-CYBMUJFWSA-N 1 1 247.386 3.210 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](OC(F)(F)F)C1 ZINC000616604873 350793341 /nfs/dbraw/zinc/79/33/41/350793341.db2.gz RTCVYPWNSHHSFY-VIFPVBQESA-N 1 1 239.281 3.176 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616604875 350793430 /nfs/dbraw/zinc/79/34/30/350793430.db2.gz RZTBGIBOYOBZDK-AWEZNQCLSA-N 1 1 232.371 3.247 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616604884 350793317 /nfs/dbraw/zinc/79/33/17/350793317.db2.gz SKENWMFIFMJRFA-INIZCTEOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616604893 350793304 /nfs/dbraw/zinc/79/33/04/350793304.db2.gz SYHGPRLWGUERLG-VIFPVBQESA-N 1 1 209.255 3.059 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616604914 350793502 /nfs/dbraw/zinc/79/35/02/350793502.db2.gz GUKQJOIIIYWNAR-OAHLLOKOSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2cccc3ccncc32)C1 ZINC000616604918 350793669 /nfs/dbraw/zinc/79/36/69/350793669.db2.gz HBHKIRZSENUNSE-CQSZACIVSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616604928 350794295 /nfs/dbraw/zinc/79/42/95/350794295.db2.gz UMSYINHSZAZWMU-AWEZNQCLSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616604941 350794192 /nfs/dbraw/zinc/79/41/92/350794192.db2.gz VCXNXYKDQVPXHO-VIFPVBQESA-N 1 1 223.282 3.449 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616604969 350794157 /nfs/dbraw/zinc/79/41/57/350794157.db2.gz HWRWCEJEERAWQP-MRXNPFEDSA-N 1 1 240.350 3.434 10 0 BGAEMO CC[N@H+]1CCCC[C@@H](c2ccc(NC)cc2)C1 ZINC000616604975 350794159 /nfs/dbraw/zinc/79/41/59/350794159.db2.gz IJOXCSFHHOBWHY-CQSZACIVSA-N 1 1 232.371 3.318 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2cccc(N)n2)C1 ZINC000616604982 350794249 /nfs/dbraw/zinc/79/42/49/350794249.db2.gz IRVLICGWUKAOAZ-GFCCVEGCSA-N 1 1 247.386 3.032 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2cccnc2N)C1 ZINC000616604983 350794167 /nfs/dbraw/zinc/79/41/67/350794167.db2.gz IRYYGBDQVGTJPW-GFCCVEGCSA-N 1 1 247.386 3.032 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616605039 350794263 /nfs/dbraw/zinc/79/42/63/350794263.db2.gz KPAVRQLMORGWKI-CQSZACIVSA-N 1 1 232.371 3.450 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616605131 350794273 /nfs/dbraw/zinc/79/42/73/350794273.db2.gz HBVFBYFKHIDSAI-CYBMUJFWSA-N 1 1 233.359 3.192 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cocn1 ZINC000616605354 350794869 /nfs/dbraw/zinc/79/48/69/350794869.db2.gz KGRZPUONZGYHPB-GFCCVEGCSA-N 1 1 222.332 3.390 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616605388 350794940 /nfs/dbraw/zinc/79/49/40/350794940.db2.gz ZYXFHPWCVNWRBZ-ZDUSSCGKSA-N 1 1 218.344 3.060 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616605420 350794854 /nfs/dbraw/zinc/79/48/54/350794854.db2.gz OQHACJSHRUPWQY-CQSZACIVSA-N 1 1 232.371 3.247 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2cccc3cnccc32)C1 ZINC000616605448 350795019 /nfs/dbraw/zinc/79/50/19/350795019.db2.gz PNKGPYHYISIBIY-CQSZACIVSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616605458 350794955 /nfs/dbraw/zinc/79/49/55/350794955.db2.gz KZDBMTJJTWTMDU-LLVKDONJSA-N 1 1 222.332 3.390 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cnoc1 ZINC000616605563 350794966 /nfs/dbraw/zinc/79/49/66/350794966.db2.gz MOMCZCYWLNNIKX-GFCCVEGCSA-N 1 1 222.332 3.390 10 0 BGAEMO CC[N@H+]1CCCC[C@@H](c2ccccc2OC)C1 ZINC000616605600 350795068 /nfs/dbraw/zinc/79/50/68/350795068.db2.gz QMYKUOKOCBHGTB-CYBMUJFWSA-N 1 1 233.355 3.285 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccnnc1 ZINC000616605604 350794997 /nfs/dbraw/zinc/79/49/97/350794997.db2.gz NQXOYCNJFFISCD-CYBMUJFWSA-N 1 1 233.359 3.192 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616605610 350794992 /nfs/dbraw/zinc/79/49/92/350794992.db2.gz NUDLLWMLBIGEJO-CYBMUJFWSA-N 1 1 233.359 3.192 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616605612 350795013 /nfs/dbraw/zinc/79/50/13/350795013.db2.gz NVRSWCHVOXBNQW-GFCCVEGCSA-N 1 1 221.348 3.125 10 0 BGAEMO C[N@H+]1CCCC[C@@H](c2cccc3cccnc32)C1 ZINC000616605615 350795028 /nfs/dbraw/zinc/79/50/28/350795028.db2.gz QUYKBNQSHSDTLB-CQSZACIVSA-N 1 1 240.350 3.434 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616605749 350795005 /nfs/dbraw/zinc/79/50/05/350795005.db2.gz QDIKIXQNYIIWKG-CYBMUJFWSA-N 1 1 247.386 3.379 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cnco1 ZINC000616605753 350794990 /nfs/dbraw/zinc/79/49/90/350794990.db2.gz QFNDTJSTCQHQEF-LLVKDONJSA-N 1 1 222.332 3.390 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616605769 350794988 /nfs/dbraw/zinc/79/49/88/350794988.db2.gz QUXOAGRTQYPGSK-CYBMUJFWSA-N 1 1 247.386 3.210 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccon1 ZINC000616605770 350795091 /nfs/dbraw/zinc/79/50/91/350795091.db2.gz QVSSUGHZPWQSOU-GFCCVEGCSA-N 1 1 222.332 3.390 10 0 BGAEMO CC[N@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616605814 350794971 /nfs/dbraw/zinc/79/49/71/350794971.db2.gz VOJBOKWYJZELDN-GFCCVEGCSA-N 1 1 221.319 3.415 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ncco1 ZINC000616605917 350794253 /nfs/dbraw/zinc/79/42/53/350794253.db2.gz RETVNANKNQJNSV-LLVKDONJSA-N 1 1 222.332 3.390 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1C(F)F ZINC000616605939 350796583 /nfs/dbraw/zinc/79/65/83/350796583.db2.gz RPDWJRVYNCTQIY-SECBINFHSA-N 1 1 205.292 3.295 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ncc[nH]1 ZINC000616605968 350796649 /nfs/dbraw/zinc/79/66/49/350796649.db2.gz SVNGUAJJUCMALP-LLVKDONJSA-N 1 1 221.348 3.125 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1ccncn1 ZINC000616605998 350796663 /nfs/dbraw/zinc/79/66/63/350796663.db2.gz UPYTZEYNRILYKZ-CYBMUJFWSA-N 1 1 233.359 3.192 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616606033 350796342 /nfs/dbraw/zinc/79/63/42/350796342.db2.gz WNKDFWKOLNOIAU-GFCCVEGCSA-N 1 1 221.348 3.125 10 0 BGAEMO CC(C)(C)[N@H+]1CCCCC[C@@H]1c1cccnc1N ZINC000616606086 350796432 /nfs/dbraw/zinc/79/64/32/350796432.db2.gz YJLLBSMZWCJDOG-CYBMUJFWSA-N 1 1 247.386 3.379 10 0 BGAEMO CC(=O)Nc1cccc([C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000616606286 350797623 /nfs/dbraw/zinc/79/76/23/350797623.db2.gz FLVQYAGFEBVMLO-HNNXBMFYSA-N 1 1 246.354 3.190 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606303 350797432 /nfs/dbraw/zinc/79/74/32/350797432.db2.gz AXAUNMOQRVAXGU-CQSZACIVSA-N 1 1 212.296 3.002 10 0 BGAEMO CC[N@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616606307 350797659 /nfs/dbraw/zinc/79/76/59/350797659.db2.gz FQQFGNDBLOQCQD-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO COc1cccc([C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000616606317 350797296 /nfs/dbraw/zinc/79/72/96/350797296.db2.gz FXBNARWFKPFYCD-AWEZNQCLSA-N 1 1 219.328 3.241 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616606328 350797254 /nfs/dbraw/zinc/79/72/54/350797254.db2.gz BYOKIBARPFPEGF-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616606422 350797525 /nfs/dbraw/zinc/79/75/25/350797525.db2.gz FQQFGNDBLOQCQD-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO COc1cccc([C@H]2CCC[N@H+]2C(C)C)c1 ZINC000616606426 350797363 /nfs/dbraw/zinc/79/73/63/350797363.db2.gz FXBNARWFKPFYCD-CQSZACIVSA-N 1 1 219.328 3.241 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616606428 350797264 /nfs/dbraw/zinc/79/72/64/350797264.db2.gz GCQVJHMNLQWMIE-OAHLLOKOSA-N 1 1 241.338 3.175 10 0 BGAEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606447 350797252 /nfs/dbraw/zinc/79/72/52/350797252.db2.gz HNYVPQWHIUUSSK-OAHLLOKOSA-N 1 1 241.338 3.175 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606458 350797563 /nfs/dbraw/zinc/79/75/63/350797563.db2.gz IDAVFJHDODWMML-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO c1nocc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616606490 350798404 /nfs/dbraw/zinc/79/84/04/350798404.db2.gz DPTRESVBMPDZTH-AWEZNQCLSA-N 1 1 228.295 3.012 10 0 BGAEMO c1nocc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616606597 350798092 /nfs/dbraw/zinc/79/80/92/350798092.db2.gz DPTRESVBMPDZTH-CQSZACIVSA-N 1 1 228.295 3.012 10 0 BGAEMO CC[N@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616606749 350798290 /nfs/dbraw/zinc/79/82/90/350798290.db2.gz IDAVFJHDODWMML-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616606763 350798196 /nfs/dbraw/zinc/79/81/96/350798196.db2.gz IVPXVJKCIVBRNS-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CCOC(=O)c1ccc([C@@H]2CCC[N@H+]2CC)cc1 ZINC000616606802 350798135 /nfs/dbraw/zinc/79/81/35/350798135.db2.gz JSIKJZCAMRWABQ-AWEZNQCLSA-N 1 1 247.338 3.020 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccccc1N ZINC000616606812 350797994 /nfs/dbraw/zinc/79/79/94/350797994.db2.gz IOPCPLOGYYFBGQ-CYBMUJFWSA-N 1 1 218.344 3.204 10 0 BGAEMO C[N@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616606819 350798456 /nfs/dbraw/zinc/79/84/56/350798456.db2.gz KGYGEGRVXHYTEK-AWEZNQCLSA-N 1 1 212.296 3.002 10 0 BGAEMO C[N@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616606826 350799482 /nfs/dbraw/zinc/79/94/82/350799482.db2.gz KPGVGHXQWNDAGC-AWEZNQCLSA-N 1 1 212.296 3.002 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616606832 350799618 /nfs/dbraw/zinc/79/96/18/350799618.db2.gz IVPXVJKCIVBRNS-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1cccc2ncccc21 ZINC000616606842 350798933 /nfs/dbraw/zinc/79/89/33/350798933.db2.gz IZNWHQCKNGIEOQ-CQSZACIVSA-N 1 1 212.296 3.002 10 0 BGAEMO CC[N@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616606871 350799512 /nfs/dbraw/zinc/79/95/12/350799512.db2.gz LQNXYPBNMPWJKF-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616606885 350799219 /nfs/dbraw/zinc/79/92/19/350799219.db2.gz LZRHVIQTNPUQFA-AWEZNQCLSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616606896 350799574 /nfs/dbraw/zinc/79/95/74/350799574.db2.gz HHJOTADAXFBAQG-OAHLLOKOSA-N 1 1 247.382 3.157 10 0 BGAEMO CCOC(=O)c1ccc([C@H]2CCC[N@H+]2CC)cc1 ZINC000616606899 350799637 /nfs/dbraw/zinc/79/96/37/350799637.db2.gz JSIKJZCAMRWABQ-CQSZACIVSA-N 1 1 247.338 3.020 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616606903 350798844 /nfs/dbraw/zinc/79/88/44/350798844.db2.gz JYXFKQJGTDXSEZ-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616606907 350798926 /nfs/dbraw/zinc/79/89/26/350798926.db2.gz KGYGEGRVXHYTEK-CQSZACIVSA-N 1 1 212.296 3.002 10 0 BGAEMO C[N@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606914 350799402 /nfs/dbraw/zinc/79/94/02/350799402.db2.gz KPGVGHXQWNDAGC-CQSZACIVSA-N 1 1 212.296 3.002 10 0 BGAEMO CCOC(=O)c1ccccc1[C@H]1CCC[N@H+]1CC ZINC000616606926 350799465 /nfs/dbraw/zinc/79/94/65/350799465.db2.gz LLKCPNNXNOGRBD-CQSZACIVSA-N 1 1 247.338 3.020 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616606933 350798916 /nfs/dbraw/zinc/79/89/16/350798916.db2.gz LQNXYPBNMPWJKF-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616606937 350799363 /nfs/dbraw/zinc/79/93/63/350799363.db2.gz LZRHVIQTNPUQFA-CQSZACIVSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616606941 350799346 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/nfs/dbraw/zinc/84/13/44/350841344.db2.gz ZQCKFLWVOWULEG-CQSZACIVSA-N 1 1 240.350 3.433 10 0 BGAEMO C[N@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616614909 350842056 /nfs/dbraw/zinc/84/20/56/350842056.db2.gz YWVGLYHOCWRXNZ-OAHLLOKOSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@@H]1c1ncco1 ZINC000616614910 350841760 /nfs/dbraw/zinc/84/17/60/350841760.db2.gz YZPGCUMPVVYAQH-SNVBAGLBSA-N 1 1 208.305 3.000 10 0 BGAEMO C[N@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616614915 350841924 /nfs/dbraw/zinc/84/19/24/350841924.db2.gz ZJBDVMXGQOOALC-CQSZACIVSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616614924 350841857 /nfs/dbraw/zinc/84/18/57/350841857.db2.gz ZZYYWRVCEPWCQS-OAHLLOKOSA-N 1 1 233.355 3.114 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616615042 350844649 /nfs/dbraw/zinc/84/46/49/350844649.db2.gz AGLZWBVEUDWQMT-HNNXBMFYSA-N 1 1 246.354 3.192 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616615060 350844730 /nfs/dbraw/zinc/84/47/30/350844730.db2.gz ARGPKFHZPQBERH-HNNXBMFYSA-N 1 1 246.354 3.192 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cnoc1 ZINC000616615071 350844613 /nfs/dbraw/zinc/84/46/13/350844613.db2.gz BHQNKNUQYAGNQA-NSHDSACASA-N 1 1 208.305 3.000 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cc2ccccc2nn1 ZINC000616615079 350844549 /nfs/dbraw/zinc/84/45/49/350844549.db2.gz BIPHWLSCFVZBPJ-HNNXBMFYSA-N 1 1 241.338 3.177 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1ccccc1N ZINC000616615088 350844952 /nfs/dbraw/zinc/84/49/52/350844952.db2.gz BUCZCFWKJONAHS-AWEZNQCLSA-N 1 1 218.344 3.204 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000616615092 350844927 /nfs/dbraw/zinc/84/49/27/350844927.db2.gz CBWDDUSGFMBSMC-ZDUSSCGKSA-N 1 1 218.344 3.407 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616615112 350845367 /nfs/dbraw/zinc/84/53/67/350845367.db2.gz CPDMLCANXOXHHZ-INIZCTEOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615119 350845540 /nfs/dbraw/zinc/84/55/40/350845540.db2.gz CZIIHUGHPPBHNC-HNNXBMFYSA-N 1 1 233.355 3.114 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616615143 350845547 /nfs/dbraw/zinc/84/55/47/350845547.db2.gz DOCMNMNOKXRPSW-AWEZNQCLSA-N 1 1 241.338 3.177 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cccc2nnccc21 ZINC000616615192 350845473 /nfs/dbraw/zinc/84/54/73/350845473.db2.gz FUVGIPJKNVFFLJ-HNNXBMFYSA-N 1 1 241.338 3.177 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1ccc2cccnc2c1 ZINC000616615195 350845578 /nfs/dbraw/zinc/84/55/78/350845578.db2.gz FXZPJUYAKIDGSG-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616615219 350846185 /nfs/dbraw/zinc/84/61/85/350846185.db2.gz GREBOKYSOHPQEJ-HNNXBMFYSA-N 1 1 241.338 3.177 10 0 BGAEMO CCOC(=O)c1cccc([C@@H]2CCCC[N@H+]2C)c1 ZINC000616615366 398174547 /nfs/dbraw/zinc/17/45/47/398174547.db2.gz HUEXPVWYYJQEHB-AWEZNQCLSA-N 1 1 247.338 3.020 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccc(NC)cc1 ZINC000616615372 398174812 /nfs/dbraw/zinc/17/48/12/398174812.db2.gz HWDMQJOBVGFZNN-AWEZNQCLSA-N 1 1 218.344 3.275 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616615382 398174681 /nfs/dbraw/zinc/17/46/81/398174681.db2.gz IFFNFMZNTDSPET-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615385 350846899 /nfs/dbraw/zinc/84/68/99/350846899.db2.gz IGHJNWSWSYUWBD-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccncc1 ZINC000616615394 350847065 /nfs/dbraw/zinc/84/70/65/350847065.db2.gz IKZNVXVUDKJWFR-ZDUSSCGKSA-N 1 1 218.344 3.407 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616615402 350846625 /nfs/dbraw/zinc/84/66/25/350846625.db2.gz IRYGQCGCYIPYEV-INIZCTEOSA-N 1 1 247.382 3.157 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccon1 ZINC000616615446 350847123 /nfs/dbraw/zinc/84/71/23/350847123.db2.gz KVKGINBPHVKEQY-NSHDSACASA-N 1 1 208.305 3.000 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616615459 398174436 /nfs/dbraw/zinc/17/44/36/398174436.db2.gz LCUFLOIQSATTPC-HNNXBMFYSA-N 1 1 241.338 3.177 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1ccc2ccncc2c1 ZINC000616615463 350846525 /nfs/dbraw/zinc/84/65/25/350846525.db2.gz LEMQEGJSAODEMK-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1cccc(NC)c1 ZINC000616615473 350847807 /nfs/dbraw/zinc/84/78/07/350847807.db2.gz LWJMXPJQYYILIS-AWEZNQCLSA-N 1 1 218.344 3.275 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccccc1NC ZINC000616615520 350847971 /nfs/dbraw/zinc/84/79/71/350847971.db2.gz OYNIENXYIVUOFO-AWEZNQCLSA-N 1 1 218.344 3.275 10 0 BGAEMO CC[N@H+]1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616615731 350849498 /nfs/dbraw/zinc/84/94/98/350849498.db2.gz PSKVLCHOMOBYMW-HNNXBMFYSA-N 1 1 241.338 3.177 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1ccc2cnccc2c1 ZINC000616615757 350850354 /nfs/dbraw/zinc/85/03/54/350850354.db2.gz QREHOMGDJOFNBL-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615795 411390649 /nfs/dbraw/zinc/39/06/49/411390649.db2.gz SRCOYOHDBCTKCE-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cocn1 ZINC000616615834 350851224 /nfs/dbraw/zinc/85/12/24/350851224.db2.gz UWGHFYDJDGEIFE-NSHDSACASA-N 1 1 208.305 3.000 10 0 BGAEMO CCOC(=O)c1ccc([C@@H]2CCCC[N@H+]2C)cc1 ZINC000616615851 350851334 /nfs/dbraw/zinc/85/13/34/350851334.db2.gz VVVLGHPTTDGCDR-AWEZNQCLSA-N 1 1 247.338 3.020 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ccno1 ZINC000616615870 350850599 /nfs/dbraw/zinc/85/05/99/350850599.db2.gz WRINHCIBNOLFFP-JTQLQIEISA-N 1 1 208.305 3.000 10 0 BGAEMO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@H+]1C ZINC000616616062 350853422 /nfs/dbraw/zinc/85/34/22/350853422.db2.gz YTJILRHFMDZIQD-AWEZNQCLSA-N 1 1 247.338 3.020 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1ccc2ccccc2n1 ZINC000616616069 350853211 /nfs/dbraw/zinc/85/32/11/350853211.db2.gz YWVGLYHOCWRXNZ-HNNXBMFYSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1ncco1 ZINC000616616073 350853244 /nfs/dbraw/zinc/85/32/44/350853244.db2.gz YZPGCUMPVVYAQH-JTQLQIEISA-N 1 1 208.305 3.000 10 0 BGAEMO C[N@H+]1CCCC[C@H]1c1cccc2cccnc21 ZINC000616616081 350853163 /nfs/dbraw/zinc/85/31/63/350853163.db2.gz ZJBDVMXGQOOALC-AWEZNQCLSA-N 1 1 226.323 3.392 10 0 BGAEMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616089 350853985 /nfs/dbraw/zinc/85/39/85/350853985.db2.gz ZZYYWRVCEPWCQS-HNNXBMFYSA-N 1 1 233.355 3.114 10 0 BGAEMO c1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1 ZINC000616616212 350854591 /nfs/dbraw/zinc/85/45/91/350854591.db2.gz BEQSIGOJCRNHDU-HNNXBMFYSA-N 1 1 241.338 3.137 10 0 BGAEMO c1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH]1 ZINC000616616212 350854589 /nfs/dbraw/zinc/85/45/89/350854589.db2.gz BEQSIGOJCRNHDU-HNNXBMFYSA-N 1 1 241.338 3.137 10 0 BGAEMO c1ncc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000616616212 350854586 /nfs/dbraw/zinc/85/45/86/350854586.db2.gz BEQSIGOJCRNHDU-HNNXBMFYSA-N 1 1 241.338 3.137 10 0 BGAEMO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)no1 ZINC000616616294 350855241 /nfs/dbraw/zinc/85/52/41/350855241.db2.gz DIKGUXBQKRZQAD-HNNXBMFYSA-N 1 1 242.322 3.402 10 0 BGAEMO c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)no1 ZINC000616616294 350855238 /nfs/dbraw/zinc/85/52/38/350855238.db2.gz DIKGUXBQKRZQAD-HNNXBMFYSA-N 1 1 242.322 3.402 10 0 BGAEMO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000616616637 350856908 /nfs/dbraw/zinc/85/69/08/350856908.db2.gz LTYACNGTVSSUIU-AWEZNQCLSA-N 1 1 242.322 3.402 10 0 BGAEMO c1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)co1 ZINC000616616787 350858659 /nfs/dbraw/zinc/85/86/59/350858659.db2.gz PYSYKRBPGLUABR-HNNXBMFYSA-N 1 1 242.322 3.402 10 0 BGAEMO c1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)co1 ZINC000616616787 350858654 /nfs/dbraw/zinc/85/86/54/350858654.db2.gz PYSYKRBPGLUABR-HNNXBMFYSA-N 1 1 242.322 3.402 10 0 BGAEMO c1nocc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000616616918 350858848 /nfs/dbraw/zinc/85/88/48/350858848.db2.gz YSNBKJRUYLMGSD-HNNXBMFYSA-N 1 1 242.322 3.402 10 0 BGAEMO c1ncc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC000616616919 350858414 /nfs/dbraw/zinc/85/84/14/350858414.db2.gz YXRPYOPOJNUYGL-AWEZNQCLSA-N 1 1 242.322 3.402 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616616942 350857523 /nfs/dbraw/zinc/85/75/23/350857523.db2.gz AKGIRYFYDQQWQR-CQSZACIVSA-N 1 1 240.350 3.434 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616616947 350858321 /nfs/dbraw/zinc/85/83/21/350858321.db2.gz APURWMVIFLDUEA-MRXNPFEDSA-N 1 1 240.350 3.434 10 0 BGAEMO CNc1ccc([C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000616616965 386761614 /nfs/dbraw/zinc/76/16/14/386761614.db2.gz BYTBIBWNKFCVHV-CQSZACIVSA-N 1 1 232.371 3.316 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616616969 386760139 /nfs/dbraw/zinc/76/01/39/386760139.db2.gz CEMIDYKWQYTWRW-OAHLLOKOSA-N 1 1 240.350 3.434 10 0 BGAEMO CNc1ccccc1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000616616970 350860597 /nfs/dbraw/zinc/86/05/97/350860597.db2.gz CIICPVMBRUSOTP-CYBMUJFWSA-N 1 1 232.371 3.316 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616616993 350859226 /nfs/dbraw/zinc/85/92/26/350859226.db2.gz AKGIRYFYDQQWQR-AWEZNQCLSA-N 1 1 240.350 3.434 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616617000 350859271 /nfs/dbraw/zinc/85/92/71/350859271.db2.gz APURWMVIFLDUEA-INIZCTEOSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616617027 350859352 /nfs/dbraw/zinc/85/93/52/350859352.db2.gz BUXKETRQHJABLC-AWEZNQCLSA-N 1 1 226.323 3.044 10 0 BGAEMO CNc1cccc([C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000616617028 350859215 /nfs/dbraw/zinc/85/92/15/350859215.db2.gz GBUHJKNHQMRPSW-CQSZACIVSA-N 1 1 232.371 3.316 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616617053 350862266 /nfs/dbraw/zinc/86/22/66/350862266.db2.gz HDKNRUFBXNSHQF-CQSZACIVSA-N 1 1 240.350 3.434 10 0 BGAEMO C[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616617055 350860542 /nfs/dbraw/zinc/86/05/42/350860542.db2.gz HDMAJLAZDGMTRM-CYBMUJFWSA-N 1 1 226.323 3.044 10 0 BGAEMO C[N@H+]1CCC[C@H](c2cccc3ncccc32)C1 ZINC000616617070 398178767 /nfs/dbraw/zinc/17/87/67/398178767.db2.gz FEMFTRDPJNVMPL-LBPRGKRZSA-N 1 1 226.323 3.044 10 0 BGAEMO 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ZINC000657287247 411446828 /nfs/dbraw/zinc/44/68/28/411446828.db2.gz JNNQFMQSWOSVCW-JTQLQIEISA-N 1 1 249.745 3.222 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2nc(C)c[nH]2)cc1 ZINC000657291091 411451441 /nfs/dbraw/zinc/45/14/41/411451441.db2.gz SHPSKHWSFICYNM-GFCCVEGCSA-N 1 1 243.354 3.131 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2nc(C)c[nH]2)cc1 ZINC000657291097 411452368 /nfs/dbraw/zinc/45/23/68/411452368.db2.gz SHPSKHWSFICYNM-LBPRGKRZSA-N 1 1 243.354 3.131 10 0 BGAEMO Cc1nc(C[NH2+][C@@H](C)c2ccccc2C)[nH]c1C ZINC000657291176 411451374 /nfs/dbraw/zinc/45/13/74/411451374.db2.gz VHBIQRMUFSTSGH-ZDUSSCGKSA-N 1 1 243.354 3.186 10 0 BGAEMO Cc1c[nH]c(C[NH2+][C@H](C)c2ccc(C)cc2C)n1 ZINC000657318476 411462578 /nfs/dbraw/zinc/46/25/78/411462578.db2.gz PBJIITSEBXGKCX-CYBMUJFWSA-N 1 1 243.354 3.186 10 0 BGAEMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C)cc2C)n1 ZINC000657318477 411462460 /nfs/dbraw/zinc/46/24/60/411462460.db2.gz PBJIITSEBXGKCX-ZDUSSCGKSA-N 1 1 243.354 3.186 10 0 BGAEMO Cc1c[nH]c(C[NH2+][C@H](C)c2ccc(C)c(C)c2)n1 ZINC000657337367 411472124 /nfs/dbraw/zinc/47/21/24/411472124.db2.gz SCSMUWVRVQAFTA-CYBMUJFWSA-N 1 1 243.354 3.186 10 0 BGAEMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000657337368 411471856 /nfs/dbraw/zinc/47/18/56/411471856.db2.gz SCSMUWVRVQAFTA-ZDUSSCGKSA-N 1 1 243.354 3.186 10 0 BGAEMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000657391236 411491425 /nfs/dbraw/zinc/49/14/25/411491425.db2.gz AEBKZZPELASUOV-NSHDSACASA-N 1 1 247.317 3.016 10 0 BGAEMO Cc1nc(C[NH2+][C@H](C)c2cccc(C)c2)[nH]c1C ZINC000657487097 411531087 /nfs/dbraw/zinc/53/10/87/411531087.db2.gz PBYZVIDMRXCVRU-CYBMUJFWSA-N 1 1 243.354 3.186 10 0 BGAEMO CCC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000659999826 411524905 /nfs/dbraw/zinc/52/49/05/411524905.db2.gz IMUFFCQBFZTUTI-ILXRZTDVSA-N 1 1 239.403 3.050 10 0 BGAEMO CCC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000659999827 411525174 /nfs/dbraw/zinc/52/51/74/411525174.db2.gz IMUFFCQBFZTUTI-KFWWJZLASA-N 1 1 239.403 3.050 10 0 BGAEMO CCC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000659999828 411525112 /nfs/dbraw/zinc/52/51/12/411525112.db2.gz IMUFFCQBFZTUTI-QLFBSQMISA-N 1 1 239.403 3.050 10 0 BGAEMO CCC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000659999829 411525321 /nfs/dbraw/zinc/52/53/21/411525321.db2.gz IMUFFCQBFZTUTI-RBSFLKMASA-N 1 1 239.403 3.050 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2coc(C)n2)cc1 ZINC000660173102 411280209 /nfs/dbraw/zinc/28/02/09/411280209.db2.gz QRSDUSKHAYQZNI-LLVKDONJSA-N 1 1 244.338 3.396 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2coc(C)n2)cc1 ZINC000660173105 411280248 /nfs/dbraw/zinc/28/02/48/411280248.db2.gz QRSDUSKHAYQZNI-NSHDSACASA-N 1 1 244.338 3.396 10 0 BGAEMO Cc1nc(C[NH2+][C@H](C)c2cccc(C)c2)co1 ZINC000660757257 409714032 /nfs/dbraw/zinc/71/40/32/409714032.db2.gz KATACPANCFLXQQ-LLVKDONJSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1nc(C[NH2+][C@@H](C)c2cccc(C)c2)co1 ZINC000660757258 409716315 /nfs/dbraw/zinc/71/63/15/409716315.db2.gz KATACPANCFLXQQ-NSHDSACASA-N 1 1 230.311 3.142 10 0 BGAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000661860053 411906403 /nfs/dbraw/zinc/90/64/03/411906403.db2.gz QGHOGJUOPLGFHY-APIJFGDWSA-N 1 1 239.403 3.048 10 0 BGAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000661860054 411907443 /nfs/dbraw/zinc/90/74/43/411907443.db2.gz QGHOGJUOPLGFHY-KBUPBQIOSA-N 1 1 239.403 3.048 10 0 BGAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000661860055 411906685 /nfs/dbraw/zinc/90/66/85/411906685.db2.gz QGHOGJUOPLGFHY-KBXIAJHMSA-N 1 1 239.403 3.048 10 0 BGAEMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000661860056 411907519 /nfs/dbraw/zinc/90/75/19/411907519.db2.gz QGHOGJUOPLGFHY-TUVASFSCSA-N 1 1 239.403 3.048 10 0 BGAEMO CC(C)[C@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663319304 411623653 /nfs/dbraw/zinc/62/36/53/411623653.db2.gz QRWPRGNGJJZSLP-JTQLQIEISA-N 1 1 229.327 3.273 10 0 BGAEMO CC(C)[C@@H](C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663319305 411623876 /nfs/dbraw/zinc/62/38/76/411623876.db2.gz QRWPRGNGJJZSLP-SNVBAGLBSA-N 1 1 229.327 3.273 10 0 BGAEMO CCC[C@H]1C[C@@H]1Nc1[nH+]ccc2c(N)cccc21 ZINC000663675181 411719951 /nfs/dbraw/zinc/71/99/51/411719951.db2.gz PERWSBSRIPPIFT-HZMBPMFUSA-N 1 1 241.338 3.418 10 0 BGAEMO CCC[C@H]1C[C@H]1Nc1[nH+]ccc2c(N)cccc21 ZINC000663675183 411719829 /nfs/dbraw/zinc/71/98/29/411719829.db2.gz PERWSBSRIPPIFT-IINYFYTJSA-N 1 1 241.338 3.418 10 0 BGAEMO CCC[C@@H]1C[C@H]1Nc1[nH+]ccc2c(N)cccc21 ZINC000663675185 411720055 /nfs/dbraw/zinc/72/00/55/411720055.db2.gz PERWSBSRIPPIFT-QMTHXVAHSA-N 1 1 241.338 3.418 10 0 BGAEMO CCC[C@@H]1C[C@@H]1Nc1[nH+]ccc2c(N)cccc21 ZINC000663675187 411719567 /nfs/dbraw/zinc/71/95/67/411719567.db2.gz PERWSBSRIPPIFT-YGRLFVJLSA-N 1 1 241.338 3.418 10 0 BGAEMO Cc1sccc1-c1cc(C)[nH+]c(N)c1 ZINC000669384915 538018449 /nfs/dbraw/zinc/01/84/49/538018449.db2.gz NCCKESFEBNPYTP-UHFFFAOYSA-N 1 1 204.298 3.009 10 0 BGAEMO CC(C)C(=O)CCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000675075109 538508418 /nfs/dbraw/zinc/50/84/18/538508418.db2.gz GRUPVKIRRFPIPN-BETUJISGSA-N 1 1 225.376 3.255 10 0 BGAEMO CCCC[N@@H+](CCO)Cc1ccccc1C(C)C ZINC000675075514 538509158 /nfs/dbraw/zinc/50/91/58/538509158.db2.gz QLAIVVJLNRFFKM-UHFFFAOYSA-N 1 1 249.398 3.404 10 0 BGAEMO CC(C)C(=O)CCC[N@@H+](C)C1CCCCC1 ZINC000675075599 538509937 /nfs/dbraw/zinc/50/99/37/538509937.db2.gz SAHBTGDLPDOOBE-UHFFFAOYSA-N 1 1 225.376 3.256 10 0 BGAEMO CC(C)C(=O)CCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000675076145 538510229 /nfs/dbraw/zinc/51/02/29/538510229.db2.gz ZQLMGNUEEIEZQG-CHWSQXEVSA-N 1 1 225.376 3.112 10 0 BGAEMO CC(C)C(=O)CCC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000675076146 538510435 /nfs/dbraw/zinc/51/04/35/538510435.db2.gz ZQLMGNUEEIEZQG-OLZOCXBDSA-N 1 1 225.376 3.112 10 0 BGAEMO CC(C)C(=O)CCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000675076147 538510656 /nfs/dbraw/zinc/51/06/56/538510656.db2.gz ZQLMGNUEEIEZQG-QWHCGFSZSA-N 1 1 225.376 3.112 10 0 BGAEMO CC(C)C(=O)CCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000675076149 538510160 /nfs/dbraw/zinc/51/01/60/538510160.db2.gz ZQLMGNUEEIEZQG-STQMWFEESA-N 1 1 225.376 3.112 10 0 BGAEMO CC[N@@H+](C)Cc1cccc(C)c1Br ZINC000685946322 538888179 /nfs/dbraw/zinc/88/81/79/538888179.db2.gz OQBDBSWUYMXJLW-UHFFFAOYSA-N 1 1 242.160 3.209 10 0 BGAEMO CC[N@H+](C)Cc1cccc(C)c1Br ZINC000685946322 538888178 /nfs/dbraw/zinc/88/81/78/538888178.db2.gz OQBDBSWUYMXJLW-UHFFFAOYSA-N 1 1 242.160 3.209 10 0 BGAEMO CC(C)[NH+]1CCC(=C(F)Br)CC1 ZINC000685947770 538889860 /nfs/dbraw/zinc/88/98/60/538889860.db2.gz PWDPOBALYGAMQG-UHFFFAOYSA-N 1 1 236.128 3.067 10 0 BGAEMO CCC[N@H+]1CCC(=O)[C@@]12CCCC(C)(C)C2 ZINC000685953422 538897868 /nfs/dbraw/zinc/89/78/68/538897868.db2.gz HDLQWOFGYHMYIL-AWEZNQCLSA-N 1 1 223.360 3.010 10 0 BGAEMO CCC[N@H+]1CCC(=O)[C@]12CCCC(C)(C)C2 ZINC000685953424 538897896 /nfs/dbraw/zinc/89/78/96/538897896.db2.gz HDLQWOFGYHMYIL-CQSZACIVSA-N 1 1 223.360 3.010 10 0 BGAEMO CCC[N@H+]1CCC(=O)C12CCC(CC)CC2 ZINC000685954360 538897184 /nfs/dbraw/zinc/89/71/84/538897184.db2.gz MGHVILOXRRMYOI-UHFFFAOYSA-N 1 1 223.360 3.010 10 0 BGAEMO CC(C)[N@H+]1CCC(=O)[C@@]12CCCC(C)(C)C2 ZINC000685954863 538900016 /nfs/dbraw/zinc/90/00/16/538900016.db2.gz QCXGXPZSSGJHNL-AWEZNQCLSA-N 1 1 223.360 3.009 10 0 BGAEMO CC(C)[N@H+]1CCC(=O)[C@]12CCCC(C)(C)C2 ZINC000685954872 538899667 /nfs/dbraw/zinc/89/96/67/538899667.db2.gz QCXGXPZSSGJHNL-CQSZACIVSA-N 1 1 223.360 3.009 10 0 BGAEMO CCC1CCC2(CC1)C(=O)CC[N@H+]2C(C)C ZINC000685955070 538899612 /nfs/dbraw/zinc/89/96/12/538899612.db2.gz SEHGKLQTMDZLEB-UHFFFAOYSA-N 1 1 223.360 3.009 10 0 BGAEMO CC(C)[N@H+]1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955099 538899893 /nfs/dbraw/zinc/89/98/93/538899893.db2.gz SXCFNZABTJZBRO-UHFFFAOYSA-N 1 1 223.360 3.009 10 0 BGAEMO CCCC1CCC2(CC1)C(=O)CC[N@@H+]2CC ZINC000685955135 538900967 /nfs/dbraw/zinc/90/09/67/538900967.db2.gz UJNGODSXKINJEB-UHFFFAOYSA-N 1 1 223.360 3.010 10 0 BGAEMO CCCC1CCC2(CC1)C(=O)CC[N@H+]2CC ZINC000685955135 538900966 /nfs/dbraw/zinc/90/09/66/538900966.db2.gz UJNGODSXKINJEB-UHFFFAOYSA-N 1 1 223.360 3.010 10 0 BGAEMO CCC[N@H+]1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955209 538900733 /nfs/dbraw/zinc/90/07/33/538900733.db2.gz WELPVSUKNSLEJF-UHFFFAOYSA-N 1 1 223.360 3.010 10 0 BGAEMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736731 712153118 /nfs/dbraw/zinc/15/31/18/712153118.db2.gz GGOHXPDTKIWDNR-CMPLNLGQSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736731 712153117 /nfs/dbraw/zinc/15/31/17/712153117.db2.gz GGOHXPDTKIWDNR-CMPLNLGQSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736732 712153481 /nfs/dbraw/zinc/15/34/81/712153481.db2.gz GGOHXPDTKIWDNR-JQWIXIFHSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736732 712153480 /nfs/dbraw/zinc/15/34/80/712153480.db2.gz GGOHXPDTKIWDNR-JQWIXIFHSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736733 712153054 /nfs/dbraw/zinc/15/30/54/712153054.db2.gz GGOHXPDTKIWDNR-PWSUYJOCSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736733 712153053 /nfs/dbraw/zinc/15/30/53/712153053.db2.gz GGOHXPDTKIWDNR-PWSUYJOCSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736734 712153420 /nfs/dbraw/zinc/15/34/20/712153420.db2.gz GGOHXPDTKIWDNR-ZYHUDNBSSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736734 712153417 /nfs/dbraw/zinc/15/34/17/712153417.db2.gz GGOHXPDTKIWDNR-ZYHUDNBSSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737322 712153516 /nfs/dbraw/zinc/15/35/16/712153516.db2.gz HAVIPOCMZCMYPJ-NEPJUHHUSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737322 712153515 /nfs/dbraw/zinc/15/35/15/712153515.db2.gz HAVIPOCMZCMYPJ-NEPJUHHUSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737323 712153372 /nfs/dbraw/zinc/15/33/72/712153372.db2.gz HAVIPOCMZCMYPJ-NWDGAFQWSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737323 712153370 /nfs/dbraw/zinc/15/33/70/712153370.db2.gz HAVIPOCMZCMYPJ-NWDGAFQWSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737324 712153087 /nfs/dbraw/zinc/15/30/87/712153087.db2.gz HAVIPOCMZCMYPJ-RYUDHWBXSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737324 712153086 /nfs/dbraw/zinc/15/30/86/712153086.db2.gz HAVIPOCMZCMYPJ-RYUDHWBXSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737325 712153364 /nfs/dbraw/zinc/15/33/64/712153364.db2.gz HAVIPOCMZCMYPJ-VXGBXAGGSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737325 712153362 /nfs/dbraw/zinc/15/33/62/712153362.db2.gz HAVIPOCMZCMYPJ-VXGBXAGGSA-N 1 1 236.746 3.028 10 0 BGAEMO Cc1conc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000708243828 712184529 /nfs/dbraw/zinc/18/45/29/712184529.db2.gz CGXDVQWABVAJMH-GFCCVEGCSA-N 1 1 230.311 3.142 10 0 BGAEMO Cc1conc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000708314490 712186755 /nfs/dbraw/zinc/18/67/55/712186755.db2.gz FJBIKXFZCIXFGB-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1conc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000708314494 712186508 /nfs/dbraw/zinc/18/65/08/712186508.db2.gz FJBIKXFZCIXFGB-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1conc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000708315295 712186266 /nfs/dbraw/zinc/18/62/66/712186266.db2.gz NKJJIUCXHFAXIX-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1conc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000708315297 712186192 /nfs/dbraw/zinc/18/61/92/712186192.db2.gz NKJJIUCXHFAXIX-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO Clc1ccc([C@@H]2[NH2+]CCc3occc32)s1 ZINC000709997436 538954328 /nfs/dbraw/zinc/95/43/28/538954328.db2.gz PXZXNDWOGWAOJK-LLVKDONJSA-N 1 1 239.727 3.230 10 0 BGAEMO Clc1ccc([C@H]2[NH2+]CCc3occc32)s1 ZINC000709997440 538954490 /nfs/dbraw/zinc/95/44/90/538954490.db2.gz PXZXNDWOGWAOJK-NSHDSACASA-N 1 1 239.727 3.230 10 0 BGAEMO C[C@H]([NH2+]Cc1nccn1C1CC1)c1cccs1 ZINC000711818315 712332408 /nfs/dbraw/zinc/33/24/08/712332408.db2.gz RVXCFSMAQBVXEL-JTQLQIEISA-N 1 1 247.367 3.130 10 0 BGAEMO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cccs1 ZINC000711818316 712332449 /nfs/dbraw/zinc/33/24/49/712332449.db2.gz RVXCFSMAQBVXEL-SNVBAGLBSA-N 1 1 247.367 3.130 10 0 BGAEMO CCCC1CCC2(CC1)C(=O)CC[N@@H+]2CCC ZINC000711950270 537830460 /nfs/dbraw/zinc/83/04/60/537830460.db2.gz IWWXRRLUXRTNME-UHFFFAOYSA-N 1 1 237.387 3.400 10 0 BGAEMO CCN1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955151 582458101 /nfs/dbraw/zinc/45/81/01/582458101.db2.gz MXMNLPZPRAQSTP-JVWICGRDSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000711955151 582458099 /nfs/dbraw/zinc/45/80/99/582458099.db2.gz MXMNLPZPRAQSTP-JVWICGRDSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000711955151 582458096 /nfs/dbraw/zinc/45/80/96/582458096.db2.gz MXMNLPZPRAQSTP-JVWICGRDSA-N 1 1 238.419 3.014 10 0 BGAEMO CCN1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000711955153 582458451 /nfs/dbraw/zinc/45/84/51/582458451.db2.gz MXMNLPZPRAQSTP-OWYJLGKBSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CC[C@H](N)C12CCC(C(C)(C)C)CC2 ZINC000711955153 582458449 /nfs/dbraw/zinc/45/84/49/582458449.db2.gz MXMNLPZPRAQSTP-OWYJLGKBSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@@H+]1CC[C@H](N)C12CCC(C(C)(C)C)CC2 ZINC000711955153 582458448 /nfs/dbraw/zinc/45/84/48/582458448.db2.gz MXMNLPZPRAQSTP-OWYJLGKBSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C ZINC000711977637 537784711 /nfs/dbraw/zinc/78/47/11/537784711.db2.gz QCBMGRIMHMIDRV-JVWICGRDSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C ZINC000711977638 537784825 /nfs/dbraw/zinc/78/48/25/537784825.db2.gz QCBMGRIMHMIDRV-OWYJLGKBSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000711993841 537784436 /nfs/dbraw/zinc/78/44/36/537784436.db2.gz KUKKIZAUFICNQA-UHFFFAOYSA-N 1 1 237.387 3.256 10 0 BGAEMO CC[N@@H+]1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000711993841 537784431 /nfs/dbraw/zinc/78/44/31/537784431.db2.gz KUKKIZAUFICNQA-UHFFFAOYSA-N 1 1 237.387 3.256 10 0 BGAEMO CC[N@H+]1CC[C@@H](N)C12CC(C)(C)CC(C)(C)C2 ZINC000712001891 537783906 /nfs/dbraw/zinc/78/39/06/537783906.db2.gz OMCMFIVQIPTEAR-GFCCVEGCSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@@H+]1CC[C@@H](N)C12CC(C)(C)CC(C)(C)C2 ZINC000712001891 537783901 /nfs/dbraw/zinc/78/39/01/537783901.db2.gz OMCMFIVQIPTEAR-GFCCVEGCSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712001891 537783900 /nfs/dbraw/zinc/78/39/00/537783900.db2.gz OMCMFIVQIPTEAR-GFCCVEGCSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CC[C@H](N)C12CC(C)(C)CC(C)(C)C2 ZINC000712001893 537783824 /nfs/dbraw/zinc/78/38/24/537783824.db2.gz OMCMFIVQIPTEAR-LBPRGKRZSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@@H+]1CC[C@H](N)C12CC(C)(C)CC(C)(C)C2 ZINC000712001893 537783819 /nfs/dbraw/zinc/78/38/19/537783819.db2.gz OMCMFIVQIPTEAR-LBPRGKRZSA-N 1 1 238.419 3.014 10 0 BGAEMO CC[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)CC(C)(C)C2 ZINC000712001893 537783818 /nfs/dbraw/zinc/78/38/18/537783818.db2.gz OMCMFIVQIPTEAR-LBPRGKRZSA-N 1 1 238.419 3.014 10 0 BGAEMO CC(C)[N@H+]1CC[C@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006053 537785127 /nfs/dbraw/zinc/78/51/27/537785127.db2.gz BLIQTBVFFXNFTP-IPYPFGDCSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@@H+]1CC[C@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006053 537785119 /nfs/dbraw/zinc/78/51/19/537785119.db2.gz BLIQTBVFFXNFTP-IPYPFGDCSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006053 537785115 /nfs/dbraw/zinc/78/51/15/537785115.db2.gz BLIQTBVFFXNFTP-IPYPFGDCSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006057 537783922 /nfs/dbraw/zinc/78/39/22/537783922.db2.gz BLIQTBVFFXNFTP-NFAWXSAZSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@@H+]1CC[C@@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006057 537783920 /nfs/dbraw/zinc/78/39/20/537783920.db2.gz BLIQTBVFFXNFTP-NFAWXSAZSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712006057 537783915 /nfs/dbraw/zinc/78/39/15/537783915.db2.gz BLIQTBVFFXNFTP-NFAWXSAZSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006060 537784866 /nfs/dbraw/zinc/78/48/66/537784866.db2.gz BLIQTBVFFXNFTP-UMVBOHGHSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@@H+]1CC[C@@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006060 537784861 /nfs/dbraw/zinc/78/48/61/537784861.db2.gz BLIQTBVFFXNFTP-UMVBOHGHSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006060 537784851 /nfs/dbraw/zinc/78/48/51/537784851.db2.gz BLIQTBVFFXNFTP-UMVBOHGHSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006064 537783549 /nfs/dbraw/zinc/78/35/49/537783549.db2.gz BLIQTBVFFXNFTP-VNHYZAJKSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@@H+]1CC[C@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006064 537783539 /nfs/dbraw/zinc/78/35/39/537783539.db2.gz BLIQTBVFFXNFTP-VNHYZAJKSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712006064 537783535 /nfs/dbraw/zinc/78/35/35/537783535.db2.gz BLIQTBVFFXNFTP-VNHYZAJKSA-N 1 1 238.419 3.013 10 0 BGAEMO CCC[N@H+]1CC[C@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712030216 537784649 /nfs/dbraw/zinc/78/46/49/537784649.db2.gz KJOCQCAISUXTIS-IPYPFGDCSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@H](N)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712030216 537784641 /nfs/dbraw/zinc/78/46/41/537784641.db2.gz KJOCQCAISUXTIS-IPYPFGDCSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712030216 537784633 /nfs/dbraw/zinc/78/46/33/537784633.db2.gz KJOCQCAISUXTIS-IPYPFGDCSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H](N)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030218 537785160 /nfs/dbraw/zinc/78/51/60/537785160.db2.gz KJOCQCAISUXTIS-KCQAQPDRSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@H](N)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030218 537785154 /nfs/dbraw/zinc/78/51/54/537785154.db2.gz KJOCQCAISUXTIS-KCQAQPDRSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030218 537785146 /nfs/dbraw/zinc/78/51/46/537785146.db2.gz KJOCQCAISUXTIS-KCQAQPDRSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712030221 537783282 /nfs/dbraw/zinc/78/32/82/537783282.db2.gz KJOCQCAISUXTIS-VNHYZAJKSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@H](N)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712030221 537783273 /nfs/dbraw/zinc/78/32/73/537783273.db2.gz KJOCQCAISUXTIS-VNHYZAJKSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H]([NH3+])[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712030221 537783265 /nfs/dbraw/zinc/78/32/65/537783265.db2.gz KJOCQCAISUXTIS-VNHYZAJKSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H](N)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030223 537783198 /nfs/dbraw/zinc/78/31/98/537783198.db2.gz KJOCQCAISUXTIS-YDHLFZDLSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@H](N)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030223 537783188 /nfs/dbraw/zinc/78/31/88/537783188.db2.gz KJOCQCAISUXTIS-YDHLFZDLSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H]([NH3+])[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712030223 537783180 /nfs/dbraw/zinc/78/31/80/537783180.db2.gz KJOCQCAISUXTIS-YDHLFZDLSA-N 1 1 238.419 3.014 10 0 BGAEMO CC(C)C1CCC2(CC1)C(=O)CC[N@H+]2C(C)C ZINC000712034115 537784890 /nfs/dbraw/zinc/78/48/90/537784890.db2.gz PFCZWUODESYWKO-UHFFFAOYSA-N 1 1 237.387 3.255 10 0 BGAEMO CC(C)C1CCC2(CC1)C(=O)CC[N@@H+]2C(C)C ZINC000712034115 537784883 /nfs/dbraw/zinc/78/48/83/537784883.db2.gz PFCZWUODESYWKO-UHFFFAOYSA-N 1 1 237.387 3.255 10 0 BGAEMO CCCC1CCC2(CC1)[C@H](N)CC[N@H+]2C(C)C ZINC000712043294 537783808 /nfs/dbraw/zinc/78/38/08/537783808.db2.gz RAEGIVDWCYRCFV-SHARSMKWSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@H](N)CC[N@@H+]2C(C)C ZINC000712043294 537783804 /nfs/dbraw/zinc/78/38/04/537783804.db2.gz RAEGIVDWCYRCFV-SHARSMKWSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C(C)C ZINC000712043294 537783798 /nfs/dbraw/zinc/78/37/98/537783798.db2.gz RAEGIVDWCYRCFV-SHARSMKWSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@H+]2C(C)C ZINC000712043295 537784057 /nfs/dbraw/zinc/78/40/57/537784057.db2.gz RAEGIVDWCYRCFV-SLTAFYQDSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@@H+]2C(C)C ZINC000712043295 537784052 /nfs/dbraw/zinc/78/40/52/537784052.db2.gz RAEGIVDWCYRCFV-SLTAFYQDSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C(C)C ZINC000712043295 537784046 /nfs/dbraw/zinc/78/40/46/537784046.db2.gz RAEGIVDWCYRCFV-SLTAFYQDSA-N 1 1 238.419 3.157 10 0 BGAEMO CCCC1CCC2(CC1)[C@H](N)CC[N@H+]2CCC ZINC000712055270 537783840 /nfs/dbraw/zinc/78/38/40/537783840.db2.gz GEFLXOWTURONEY-SHARSMKWSA-N 1 1 238.419 3.159 10 0 BGAEMO CCCC1CCC2(CC1)[C@H](N)CC[N@@H+]2CCC ZINC000712055270 537783837 /nfs/dbraw/zinc/78/38/37/537783837.db2.gz GEFLXOWTURONEY-SHARSMKWSA-N 1 1 238.419 3.159 10 0 BGAEMO CCCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2CCC ZINC000712055270 537783833 /nfs/dbraw/zinc/78/38/33/537783833.db2.gz GEFLXOWTURONEY-SHARSMKWSA-N 1 1 238.419 3.159 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@H+]2CCC ZINC000712055273 537783607 /nfs/dbraw/zinc/78/36/07/537783607.db2.gz GEFLXOWTURONEY-SLTAFYQDSA-N 1 1 238.419 3.159 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@@H+]2CCC ZINC000712055273 537783600 /nfs/dbraw/zinc/78/36/00/537783600.db2.gz GEFLXOWTURONEY-SLTAFYQDSA-N 1 1 238.419 3.159 10 0 BGAEMO CCCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2CCC ZINC000712055273 537783594 /nfs/dbraw/zinc/78/35/94/537783594.db2.gz GEFLXOWTURONEY-SLTAFYQDSA-N 1 1 238.419 3.159 10 0 BGAEMO CCC[N@H+]1CCC(=O)C12CCC(C(C)C)CC2 ZINC000712061708 537840015 /nfs/dbraw/zinc/84/00/15/537840015.db2.gz XISQVCUCOKYPGE-UHFFFAOYSA-N 1 1 237.387 3.256 10 0 BGAEMO CCC[N@@H+]1CCC(=O)C12CCC(C(C)C)CC2 ZINC000712061708 537840007 /nfs/dbraw/zinc/84/00/07/537840007.db2.gz XISQVCUCOKYPGE-UHFFFAOYSA-N 1 1 237.387 3.256 10 0 BGAEMO CCC[N@H+]1CC[C@@H](N)C12CCC(C(C)C)CC2 ZINC000712086575 537783428 /nfs/dbraw/zinc/78/34/28/537783428.db2.gz APZXVMWLUXOASG-SHARSMKWSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@@H](N)C12CCC(C(C)C)CC2 ZINC000712086575 537783416 /nfs/dbraw/zinc/78/34/16/537783416.db2.gz APZXVMWLUXOASG-SHARSMKWSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000712086575 537783409 /nfs/dbraw/zinc/78/34/09/537783409.db2.gz APZXVMWLUXOASG-SHARSMKWSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H](N)C12CCC(C(C)C)CC2 ZINC000712086581 537785035 /nfs/dbraw/zinc/78/50/35/537785035.db2.gz APZXVMWLUXOASG-SLTAFYQDSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@@H+]1CC[C@H](N)C12CCC(C(C)C)CC2 ZINC000712086581 537785029 /nfs/dbraw/zinc/78/50/29/537785029.db2.gz APZXVMWLUXOASG-SLTAFYQDSA-N 1 1 238.419 3.014 10 0 BGAEMO CCC[N@H+]1CC[C@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000712086581 537785020 /nfs/dbraw/zinc/78/50/20/537785020.db2.gz APZXVMWLUXOASG-SLTAFYQDSA-N 1 1 238.419 3.014 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@H](N)CC[N@H+]2C(C)C ZINC000712094129 537784545 /nfs/dbraw/zinc/78/45/45/537784545.db2.gz QMNAFLWJBPTUJU-SHARSMKWSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@H](N)CC[N@@H+]2C(C)C ZINC000712094129 537784536 /nfs/dbraw/zinc/78/45/36/537784536.db2.gz QMNAFLWJBPTUJU-SHARSMKWSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C(C)C ZINC000712094129 537784532 /nfs/dbraw/zinc/78/45/32/537784532.db2.gz QMNAFLWJBPTUJU-SHARSMKWSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@@H](N)CC[N@H+]2C(C)C ZINC000712094130 537784514 /nfs/dbraw/zinc/78/45/14/537784514.db2.gz QMNAFLWJBPTUJU-SLTAFYQDSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@@H](N)CC[N@@H+]2C(C)C ZINC000712094130 537784511 /nfs/dbraw/zinc/78/45/11/537784511.db2.gz QMNAFLWJBPTUJU-SLTAFYQDSA-N 1 1 238.419 3.013 10 0 BGAEMO CC(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C(C)C ZINC000712094130 537784502 /nfs/dbraw/zinc/78/45/02/537784502.db2.gz QMNAFLWJBPTUJU-SLTAFYQDSA-N 1 1 238.419 3.013 10 0 BGAEMO COC1CC(CNc2cccc3cc[nH+]cc32)C1 ZINC000714560168 712494919 /nfs/dbraw/zinc/49/49/19/712494919.db2.gz DQGNIFZRLAVZEU-UHFFFAOYSA-N 1 1 242.322 3.072 10 0 BGAEMO CCC1([NH3+])CCN([C@H](C)c2cccs2)CC1 ZINC000714758393 712497862 /nfs/dbraw/zinc/49/78/62/712497862.db2.gz NQBZSFGPCLKESW-LLVKDONJSA-N 1 1 238.400 3.012 10 0 BGAEMO CCC1([NH3+])CCN([C@@H](C)c2cccs2)CC1 ZINC000714758396 712497922 /nfs/dbraw/zinc/49/79/22/712497922.db2.gz NQBZSFGPCLKESW-NSHDSACASA-N 1 1 238.400 3.012 10 0 BGAEMO CCC1([NH3+])CCN([C@H](C)c2ccsc2)CC1 ZINC000714759864 712498627 /nfs/dbraw/zinc/49/86/27/712498627.db2.gz YALQSIAHEHBWCL-LLVKDONJSA-N 1 1 238.400 3.012 10 0 BGAEMO CCC1([NH3+])CCN([C@@H](C)c2ccsc2)CC1 ZINC000714759868 712498521 /nfs/dbraw/zinc/49/85/21/712498521.db2.gz YALQSIAHEHBWCL-NSHDSACASA-N 1 1 238.400 3.012 10 0 BGAEMO FC(F)C(F)(F)C[NH2+]C1(C2CCC2)CCC1 ZINC000717857201 712624432 /nfs/dbraw/zinc/62/44/32/712624432.db2.gz HHQPCNYSHOCZTH-UHFFFAOYSA-N 1 1 239.256 3.199 10 0 BGAEMO Cc1coc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000718092739 712742126 /nfs/dbraw/zinc/74/21/26/712742126.db2.gz HZCNDLSJWQMLGK-AWEZNQCLSA-N 1 1 243.306 3.201 10 0 BGAEMO Cc1coc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000718092742 712742209 /nfs/dbraw/zinc/74/22/09/712742209.db2.gz HZCNDLSJWQMLGK-CQSZACIVSA-N 1 1 243.306 3.201 10 0 BGAEMO Cc1coc(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000718142381 712748354 /nfs/dbraw/zinc/74/83/54/712748354.db2.gz BKKIVRFCBBHIFE-LLVKDONJSA-N 1 1 219.284 3.340 10 0 BGAEMO Cc1coc(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000718142382 712748068 /nfs/dbraw/zinc/74/80/68/712748068.db2.gz BKKIVRFCBBHIFE-NSHDSACASA-N 1 1 219.284 3.340 10 0 BGAEMO Cc1[nH]ncc1C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719286178 712803522 /nfs/dbraw/zinc/80/35/22/712803522.db2.gz LQVAKKLCMCWEOI-CYBMUJFWSA-N 1 1 235.375 3.167 10 0 BGAEMO Cc1[nH]ncc1C[NH2+][C@H]1CCCCCC1(C)C ZINC000719286180 712803661 /nfs/dbraw/zinc/80/36/61/712803661.db2.gz LQVAKKLCMCWEOI-ZDUSSCGKSA-N 1 1 235.375 3.167 10 0 BGAEMO Cc1conc1C[NH2+][C@@H](C)c1ccccc1C ZINC000720411353 712840762 /nfs/dbraw/zinc/84/07/62/712840762.db2.gz XICFAWATDGDBAJ-LBPRGKRZSA-N 1 1 230.311 3.142 10 0 BGAEMO CCc1ccc([C@@H](C)[NH2+]Cc2nocc2C)cc1 ZINC000720419846 712841234 /nfs/dbraw/zinc/84/12/34/712841234.db2.gz NCKXBAARYCDEOV-GFCCVEGCSA-N 1 1 244.338 3.396 10 0 BGAEMO CCc1ccc([C@H](C)[NH2+]Cc2nocc2C)cc1 ZINC000720419848 712841057 /nfs/dbraw/zinc/84/10/57/712841057.db2.gz NCKXBAARYCDEOV-LBPRGKRZSA-N 1 1 244.338 3.396 10 0 BGAEMO CCC1(CC)CCC[N@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000721451732 711497580 /nfs/dbraw/zinc/49/75/80/711497580.db2.gz BGVBTAFVTRQZDO-KBPBESRZSA-N 1 1 239.403 3.192 10 0 BGAEMO CCC1(CC)CCC[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000721451733 711497361 /nfs/dbraw/zinc/49/73/61/711497361.db2.gz BGVBTAFVTRQZDO-KGLIPLIRSA-N 1 1 239.403 3.192 10 0 BGAEMO CCC1(CC)CCC[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000721451734 711497332 /nfs/dbraw/zinc/49/73/32/711497332.db2.gz BGVBTAFVTRQZDO-UONOGXRCSA-N 1 1 239.403 3.192 10 0 BGAEMO CCC1(CC)CCC[N@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000721451736 711497499 /nfs/dbraw/zinc/49/74/99/711497499.db2.gz BGVBTAFVTRQZDO-ZIAGYGMSSA-N 1 1 239.403 3.192 10 0 BGAEMO Cc1cnc(C[NH2+][C@H](C)c2cncs2)c(C)c1 ZINC000724041688 711557597 /nfs/dbraw/zinc/55/75/97/711557597.db2.gz HKCBTVAARVJVMW-LLVKDONJSA-N 1 1 247.367 3.006 10 0 BGAEMO Cc1cnc(C[NH2+][C@@H](C)c2cncs2)c(C)c1 ZINC000724041689 711557348 /nfs/dbraw/zinc/55/73/48/711557348.db2.gz HKCBTVAARVJVMW-NSHDSACASA-N 1 1 247.367 3.006 10 0 BGAEMO Cc1cnc(C[NH2+]Cc2ccccc2F)c(C)c1 ZINC000724059349 710736625 /nfs/dbraw/zinc/73/66/25/710736625.db2.gz XCAADDCBEPVJNR-UHFFFAOYSA-N 1 1 244.313 3.127 10 0 BGAEMO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C)cc2C)o1 ZINC000724060208 711558507 /nfs/dbraw/zinc/55/85/07/711558507.db2.gz ZNCDXIPXDPOJBD-CYBMUJFWSA-N 1 1 244.338 3.451 10 0 BGAEMO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C)cc2C)o1 ZINC000724060209 711558319 /nfs/dbraw/zinc/55/83/19/711558319.db2.gz ZNCDXIPXDPOJBD-ZDUSSCGKSA-N 1 1 244.338 3.451 10 0 BGAEMO CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724386817 710738999 /nfs/dbraw/zinc/73/89/99/710738999.db2.gz DIPXAXORAJGZFH-GHMZBOCLSA-N 1 1 236.359 3.250 10 0 BGAEMO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724386818 710739231 /nfs/dbraw/zinc/73/92/31/710739231.db2.gz DIPXAXORAJGZFH-MNOVXSKESA-N 1 1 236.359 3.250 10 0 BGAEMO CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724386820 710739465 /nfs/dbraw/zinc/73/94/65/710739465.db2.gz DIPXAXORAJGZFH-QWRGUYRKSA-N 1 1 236.359 3.250 10 0 BGAEMO CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724386821 710740068 /nfs/dbraw/zinc/74/00/68/710740068.db2.gz DIPXAXORAJGZFH-WDEREUQCSA-N 1 1 236.359 3.250 10 0 BGAEMO C[N@H+]1CC[C@@H](CSCC[Si](C)(C)C)C1 ZINC000725245618 538002759 /nfs/dbraw/zinc/00/27/59/538002759.db2.gz LBKBEFKESZSIER-LLVKDONJSA-N 1 1 231.481 3.010 10 0 BGAEMO C[N@H+]1CC[C@H](CSCC[Si](C)(C)C)C1 ZINC000725245619 538002023 /nfs/dbraw/zinc/00/20/23/538002023.db2.gz LBKBEFKESZSIER-NSHDSACASA-N 1 1 231.481 3.010 10 0 BGAEMO CC[C@H]1CC[N@H+]1Cc1ccc(C)nc1Cl ZINC000725681639 711674117 /nfs/dbraw/zinc/67/41/17/711674117.db2.gz JLAQOPTWKRMKRC-NSHDSACASA-N 1 1 224.735 3.028 10 0 BGAEMO CC[C@H]1CC[N@@H+]1Cc1ccc(C)nc1Cl ZINC000725681639 711674116 /nfs/dbraw/zinc/67/41/16/711674116.db2.gz JLAQOPTWKRMKRC-NSHDSACASA-N 1 1 224.735 3.028 10 0 BGAEMO CCCCCCN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130941 582504864 /nfs/dbraw/zinc/50/48/64/582504864.db2.gz OSHMVTBMBAMUJA-CABCVRRESA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCCN1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130960 582504974 /nfs/dbraw/zinc/50/49/74/582504974.db2.gz OSHMVTBMBAMUJA-GJZGRUSLSA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCCN1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130973 582504944 /nfs/dbraw/zinc/50/49/44/582504944.db2.gz OSHMVTBMBAMUJA-HUUCEWRRSA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCCN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130977 582504646 /nfs/dbraw/zinc/50/46/46/582504646.db2.gz OSHMVTBMBAMUJA-LSDHHAIUSA-N 1 1 238.419 3.173 10 0 BGAEMO C[C@@H]([NH2+]c1ccc2c(c1)CCN2C)C1CCC1 ZINC000757131932 586426267 /nfs/dbraw/zinc/42/62/67/586426267.db2.gz QRWKKONCZRGPOT-LLVKDONJSA-N 1 1 230.355 3.279 10 0 BGAEMO C[C@H]([NH2+]c1ccc2c(c1)CCN2C)C1CCC1 ZINC000757131978 586426424 /nfs/dbraw/zinc/42/64/24/586426424.db2.gz QRWKKONCZRGPOT-NSHDSACASA-N 1 1 230.355 3.279 10 0 BGAEMO CC(C)[C@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757132379 582506876 /nfs/dbraw/zinc/50/68/76/582506876.db2.gz FSQVPBAGVFPZFF-JTQLQIEISA-N 1 1 234.126 3.355 10 0 BGAEMO CC(C)[C@@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757132386 582506972 /nfs/dbraw/zinc/50/69/72/582506972.db2.gz FSQVPBAGVFPZFF-SNVBAGLBSA-N 1 1 234.126 3.355 10 0 BGAEMO CCCCCCN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757132542 582507453 /nfs/dbraw/zinc/50/74/53/582507453.db2.gz RGRCIFHZQOKWBG-CABCVRRESA-N 1 1 238.419 3.031 10 0 BGAEMO CCCCCCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132546 582507787 /nfs/dbraw/zinc/50/77/87/582507787.db2.gz RGRCIFHZQOKWBG-GJZGRUSLSA-N 1 1 238.419 3.031 10 0 BGAEMO CCCCCCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132555 582507660 /nfs/dbraw/zinc/50/76/60/582507660.db2.gz RGRCIFHZQOKWBG-HUUCEWRRSA-N 1 1 238.419 3.031 10 0 BGAEMO CCCCCCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132558 582507671 /nfs/dbraw/zinc/50/76/71/582507671.db2.gz RGRCIFHZQOKWBG-LSDHHAIUSA-N 1 1 238.419 3.031 10 0 BGAEMO CC[C@@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757132596 582507839 /nfs/dbraw/zinc/50/78/39/582507839.db2.gz HSLVMWLKGLRSTQ-MRVPVSSYSA-N 1 1 220.099 3.109 10 0 BGAEMO CC[C@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757132602 582507622 /nfs/dbraw/zinc/50/76/22/582507622.db2.gz HSLVMWLKGLRSTQ-QMMMGPOBSA-N 1 1 220.099 3.109 10 0 BGAEMO CC(C)(C)[C@@H]([NH3+])c1cc(F)c(O)c(Cl)c1 ZINC000757132724 643258831 /nfs/dbraw/zinc/25/88/31/643258831.db2.gz JMJVQDRLMZRXSX-JTQLQIEISA-N 1 1 231.698 3.231 10 0 BGAEMO CC(C)(C)[C@H]([NH3+])c1cc(F)c(O)c(Cl)c1 ZINC000757132747 643258698 /nfs/dbraw/zinc/25/86/98/643258698.db2.gz JMJVQDRLMZRXSX-SNVBAGLBSA-N 1 1 231.698 3.231 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757132888 582508197 /nfs/dbraw/zinc/50/81/97/582508197.db2.gz SAYZGEJLWXSHMV-CABCVRRESA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757132890 582508258 /nfs/dbraw/zinc/50/82/58/582508258.db2.gz SAYZGEJLWXSHMV-GJZGRUSLSA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757132897 582508174 /nfs/dbraw/zinc/50/81/74/582508174.db2.gz SAYZGEJLWXSHMV-HUUCEWRRSA-N 1 1 238.419 3.173 10 0 BGAEMO CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757132903 582508165 /nfs/dbraw/zinc/50/81/65/582508165.db2.gz SAYZGEJLWXSHMV-LSDHHAIUSA-N 1 1 238.419 3.173 10 0 BGAEMO CC(C)C[C@H]([NH3+])c1cc(F)c(O)c(Cl)c1 ZINC000757133480 582509559 /nfs/dbraw/zinc/50/95/59/582509559.db2.gz RWZRCRQTJMCMED-JTQLQIEISA-N 1 1 231.698 3.231 10 0 BGAEMO CC(C)C[C@@H]([NH3+])c1cc(F)c(O)c(Cl)c1 ZINC000757133489 582509507 /nfs/dbraw/zinc/50/95/07/582509507.db2.gz RWZRCRQTJMCMED-SNVBAGLBSA-N 1 1 231.698 3.231 10 0 BGAEMO CN1CCc2cc([NH2+]CCC3CCC3)ccc21 ZINC000757133802 582510359 /nfs/dbraw/zinc/51/03/59/582510359.db2.gz UUFGGTVFKKEETA-UHFFFAOYSA-N 1 1 230.355 3.281 10 0 BGAEMO CC(C)[C@@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757133820 582510363 /nfs/dbraw/zinc/51/03/63/582510363.db2.gz VBJRVLINAPORJB-LLVKDONJSA-N 1 1 218.344 3.135 10 0 BGAEMO CC(C)[C@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757133822 582510416 /nfs/dbraw/zinc/51/04/16/582510416.db2.gz VBJRVLINAPORJB-NSHDSACASA-N 1 1 218.344 3.135 10 0 BGAEMO CCC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757134118 582510115 /nfs/dbraw/zinc/51/01/15/582510115.db2.gz WGJLGBKOHKJROJ-LLVKDONJSA-N 1 1 218.344 3.279 10 0 BGAEMO CCC[C@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757134132 582510433 /nfs/dbraw/zinc/51/04/33/582510433.db2.gz WGJLGBKOHKJROJ-NSHDSACASA-N 1 1 218.344 3.279 10 0 BGAEMO CC(C)CC[NH2+]c1ccc2c(c1)CCN2C ZINC000757135115 582514213 /nfs/dbraw/zinc/51/42/13/582514213.db2.gz YYARGSFLJAOVBF-UHFFFAOYSA-N 1 1 218.344 3.137 10 0 BGAEMO CCC[C@@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757144257 643315154 /nfs/dbraw/zinc/31/51/54/643315154.db2.gz IFLNMUYXXICHTB-SECBINFHSA-N 1 1 234.126 3.499 10 0 BGAEMO CCC[C@H]([NH3+])c1cc(Cl)c(O)cc1Cl ZINC000757144260 643315871 /nfs/dbraw/zinc/31/58/71/643315871.db2.gz IFLNMUYXXICHTB-VIFPVBQESA-N 1 1 234.126 3.499 10 0 BGAEMO [NH3+][C@H](c1cc(Cl)c(O)cc1Cl)C1CC1 ZINC000757145365 582527433 /nfs/dbraw/zinc/52/74/33/582527433.db2.gz LURZWAHVBBLZDX-JTQLQIEISA-N 1 1 232.110 3.109 10 0 BGAEMO [NH3+][C@@H](c1cc(Cl)c(O)cc1Cl)C1CC1 ZINC000757145374 582527483 /nfs/dbraw/zinc/52/74/83/582527483.db2.gz LURZWAHVBBLZDX-SNVBAGLBSA-N 1 1 232.110 3.109 10 0 BGAEMO CCC[C@@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757145919 582528500 /nfs/dbraw/zinc/52/85/00/582528500.db2.gz QIMFUIZTIBAWJB-SSDOTTSWSA-N 1 1 234.126 3.499 10 0 BGAEMO CCC[C@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757145923 582528609 /nfs/dbraw/zinc/52/86/09/582528609.db2.gz QIMFUIZTIBAWJB-ZETCQYMHSA-N 1 1 234.126 3.499 10 0 BGAEMO CC(C)[C@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757147438 586428751 /nfs/dbraw/zinc/42/87/51/586428751.db2.gz XLKLGVIVHMBCBF-JTQLQIEISA-N 1 1 234.126 3.355 10 0 BGAEMO CC(C)[C@@H]([NH3+])c1ccc(O)c(Cl)c1Cl ZINC000757147448 586428898 /nfs/dbraw/zinc/42/88/98/586428898.db2.gz XLKLGVIVHMBCBF-SNVBAGLBSA-N 1 1 234.126 3.355 10 0 BGAEMO [NH3+][C@H](c1ccc(O)c(Cl)c1Cl)C1CC1 ZINC000757147719 582531432 /nfs/dbraw/zinc/53/14/32/582531432.db2.gz ZGZIUXYEVFTFKG-JTQLQIEISA-N 1 1 232.110 3.109 10 0 BGAEMO [NH3+][C@@H](c1ccc(O)c(Cl)c1Cl)C1CC1 ZINC000757147721 582531640 /nfs/dbraw/zinc/53/16/40/582531640.db2.gz ZGZIUXYEVFTFKG-SNVBAGLBSA-N 1 1 232.110 3.109 10 0 BGAEMO Cc1[nH+]ccn1Cc1ccc(Cl)c(C)c1 ZINC000757148311 582532795 /nfs/dbraw/zinc/53/27/95/582532795.db2.gz WWFUVGSJKNCDCY-UHFFFAOYSA-N 1 1 220.703 3.202 10 0 BGAEMO CC1(C)CC2(C1)[NH2+][C@@H](c1ccccc1F)CCO2 ZINC000757153034 582537659 /nfs/dbraw/zinc/53/76/59/582537659.db2.gz VWHKLPBOAKATMJ-CYBMUJFWSA-N 1 1 249.329 3.393 10 0 BGAEMO CC1(C)CC2(C1)[NH2+][C@H](c1ccccc1F)CCO2 ZINC000757153038 582537110 /nfs/dbraw/zinc/53/71/10/582537110.db2.gz VWHKLPBOAKATMJ-ZDUSSCGKSA-N 1 1 249.329 3.393 10 0 BGAEMO C[NH2+][C@@H](Cc1ccc(Cl)c(C)c1)C(F)F ZINC000757158164 582540726 /nfs/dbraw/zinc/54/07/26/582540726.db2.gz NNZRJUVXKSSOPX-JTQLQIEISA-N 1 1 233.689 3.044 10 0 BGAEMO C[NH2+][C@H](Cc1ccc(Cl)c(C)c1)C(F)F ZINC000757158165 582540746 /nfs/dbraw/zinc/54/07/46/582540746.db2.gz NNZRJUVXKSSOPX-SNVBAGLBSA-N 1 1 233.689 3.044 10 0 BGAEMO Nc1cc[nH+]c(SCc2ccc(Cl)o2)c1 ZINC000757166699 586432534 /nfs/dbraw/zinc/43/25/34/586432534.db2.gz WOCRXDICWLBINK-UHFFFAOYSA-N 1 1 240.715 3.203 10 0 BGAEMO COc1cccc(C2=CCC[N@H+](C(C)C)C2)c1F ZINC000757564742 586461124 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/nfs/dbraw/zinc/36/72/87/586367287.db2.gz YNIIZGPFPSTUIM-NSHDSACASA-N 1 1 237.318 3.034 10 0 BGAEMO CC[N@H+]1CCC=C(c2ccc(C)cc2F)C1 ZINC000757570364 586462522 /nfs/dbraw/zinc/46/25/22/586462522.db2.gz CVTQLORBNVUOCQ-UHFFFAOYSA-N 1 1 219.303 3.243 10 0 BGAEMO CCC[N@H+]1CCC[C@@H](c2cccc(F)c2C=O)C1 ZINC000757571470 586462545 /nfs/dbraw/zinc/46/25/45/586462545.db2.gz KWWATKYRFMBVFZ-GFCCVEGCSA-N 1 1 249.329 3.228 10 0 BGAEMO CCC[N@H+]1CCC[C@H](c2cccc(F)c2C=O)C1 ZINC000757571475 586462603 /nfs/dbraw/zinc/46/26/03/586462603.db2.gz KWWATKYRFMBVFZ-LBPRGKRZSA-N 1 1 249.329 3.228 10 0 BGAEMO CC(C)[N@H+]1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757571514 586462706 /nfs/dbraw/zinc/46/27/06/586462706.db2.gz LHEFJIPUKFRETK-UHFFFAOYSA-N 1 1 247.313 3.136 10 0 BGAEMO CC(C)[N@@H+]1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757571514 586462705 /nfs/dbraw/zinc/46/27/05/586462705.db2.gz LHEFJIPUKFRETK-UHFFFAOYSA-N 1 1 247.313 3.136 10 0 BGAEMO CCOc1cc(F)ccc1C1=CCC[N@@H+](CC)C1 ZINC000757572122 644851111 /nfs/dbraw/zinc/85/11/11/644851111.db2.gz OEYMFWXHGKBNAO-UHFFFAOYSA-N 1 1 249.329 3.333 10 0 BGAEMO CCOc1cc(F)ccc1[C@@H]1CCC[N@@H+](C)C1 ZINC000757572139 644850698 /nfs/dbraw/zinc/85/06/98/644850698.db2.gz OLRCZNPLRTZYJP-LLVKDONJSA-N 1 1 237.318 3.034 10 0 BGAEMO CCOc1cc(F)ccc1[C@H]1CCC[N@@H+](C)C1 ZINC000757572142 644850964 /nfs/dbraw/zinc/85/09/64/644850964.db2.gz OLRCZNPLRTZYJP-NSHDSACASA-N 1 1 237.318 3.034 10 0 BGAEMO CCC[N@H+]1CCC=C(c2ccc(OC)cc2F)C1 ZINC000757572199 586382199 /nfs/dbraw/zinc/38/21/99/586382199.db2.gz PEAQNDYHOXZPEX-UHFFFAOYSA-N 1 1 249.329 3.333 10 0 BGAEMO CCC[N@H+]1CCC=C(c2ccc(OC)c(F)c2)C1 ZINC000757572219 586382915 /nfs/dbraw/zinc/38/29/15/586382915.db2.gz PRHWGBOXFZZNIL-UHFFFAOYSA-N 1 1 249.329 3.333 10 0 BGAEMO CCC[N@H+]1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757572310 586463100 /nfs/dbraw/zinc/46/31/00/586463100.db2.gz QMJBZWXCJCYLBY-UHFFFAOYSA-N 1 1 247.313 3.137 10 0 BGAEMO CCC[N@@H+]1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757572310 586463099 /nfs/dbraw/zinc/46/30/99/586463099.db2.gz QMJBZWXCJCYLBY-UHFFFAOYSA-N 1 1 247.313 3.137 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2ccc(C)cc2F)C1 ZINC000757572982 586382414 /nfs/dbraw/zinc/38/24/14/586382414.db2.gz WASQDNXWRVSBFL-GFCCVEGCSA-N 1 1 221.319 3.333 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2ccc(C)cc2F)C1 ZINC000757572983 586382455 /nfs/dbraw/zinc/38/24/55/586382455.db2.gz WASQDNXWRVSBFL-LBPRGKRZSA-N 1 1 221.319 3.333 10 0 BGAEMO COc1ccc(C2=CCC[N@H+](C(C)C)C2)cc1F ZINC000757573647 586463057 /nfs/dbraw/zinc/46/30/57/586463057.db2.gz YBAAYMGDEPIQFL-UHFFFAOYSA-N 1 1 249.329 3.332 10 0 BGAEMO CC[N@H+]1CCC[C@@H](c2ccc(OC)cc2F)C1 ZINC000757573789 586382446 /nfs/dbraw/zinc/38/24/46/586382446.db2.gz YOYGRIMPHHGJBW-LLVKDONJSA-N 1 1 237.318 3.034 10 0 BGAEMO CC[N@H+]1CCC[C@H](c2ccc(OC)cc2F)C1 ZINC000757573792 586382746 /nfs/dbraw/zinc/38/27/46/586382746.db2.gz YOYGRIMPHHGJBW-NSHDSACASA-N 1 1 237.318 3.034 10 0 BGAEMO CC[C@@H]1CC[N@H+]1Cc1ccc(C)nc1Cl ZINC000839027555 585023750 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