smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnn(C)c1C[NH2+]Cc1ncc(C)cc1C ZINC000724055756 710736888 /nfs/dbraw/zinc/73/68/88/710736888.db2.gz HKIRGUORYLWJRX-UHFFFAOYSA-N 1 1 244.342 2.030 10 0 BEAEMO [NH3+][C@@H](CC(F)F)c1nc(CC2CCC2)no1 ZINC000380609057 712901737 /nfs/dbraw/zinc/90/17/37/712901737.db2.gz XMNHCUIOFZHGIH-ZETCQYMHSA-N 1 1 231.246 2.067 10 0 BEAEMO Cc1cc(C)nc(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000723868105 711540103 /nfs/dbraw/zinc/54/01/03/711540103.db2.gz OWZPGEBOMKESAP-OAHLLOKOSA-N 1 1 248.370 2.435 10 0 BEAEMO Cc1cnc(C[NH2+][C@H](C)c2cnn(C)c2)c(C)c1 ZINC000724055231 711558527 /nfs/dbraw/zinc/55/85/27/711558527.db2.gz CNSXXQGLGNHMBF-GFCCVEGCSA-N 1 1 244.342 2.283 10 0 BEAEMO Cc1[nH]c(CN2CCO[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000724786325 711614588 /nfs/dbraw/zinc/61/45/88/711614588.db2.gz JUYMVBHERSVLAO-UONOGXRCSA-N 1 1 249.358 2.170 10 0 BEAEMO Cc1[nH]c(CN2CCO[C@@H]3CCCC[C@H]32)c(C)[nH+]1 ZINC000724786326 711614618 /nfs/dbraw/zinc/61/46/18/711614618.db2.gz JUYMVBHERSVLAO-ZIAGYGMSSA-N 1 1 249.358 2.170 10 0 BEAEMO CCO[C@H]1CC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000701671747 712027205 /nfs/dbraw/zinc/02/72/05/712027205.db2.gz HIMPIUOCZVOCPA-GJZGRUSLSA-N 1 1 249.354 2.005 10 0 BEAEMO O[C@@H](C[N@H+]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000706782462 712155232 /nfs/dbraw/zinc/15/52/32/712155232.db2.gz BKLGRIJUNVIROX-IHRRRGAJSA-N 1 1 217.312 2.204 10 0 BEAEMO O[C@H](C[N@H+]1C[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000706782447 712155521 /nfs/dbraw/zinc/15/55/21/712155521.db2.gz BKLGRIJUNVIROX-BFHYXJOUSA-N 1 1 217.312 2.204 10 0 BEAEMO CSC1CC(Nc2cc[nH+]cc2Cl)C1 ZINC000708264680 712184864 /nfs/dbraw/zinc/18/48/64/712184864.db2.gz LPJHVDDJXPXIST-UHFFFAOYSA-N 1 1 228.748 2.463 10 0 BEAEMO CC1(C)C[C@@H](C[N@H+]2CCC[C@H]2CN)C(C)(C)O1 ZINC000709695921 712216180 /nfs/dbraw/zinc/21/61/80/712216180.db2.gz IJESZOCAOUXWLO-RYUDHWBXSA-N 1 1 240.391 2.003 10 0 BEAEMO C[C@@H]1CN(c2cc(C(C)(C)C)cc[nH+]2)C[C@H]1CO ZINC000709383387 712220629 /nfs/dbraw/zinc/22/06/29/712220629.db2.gz IWRNVRLEAQVBFR-NEPJUHHUSA-N 1 1 248.370 2.444 10 0 BEAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000711450922 712301606 /nfs/dbraw/zinc/30/16/06/712301606.db2.gz MHDXIFDTHIZCBE-RWMBFGLXSA-N 1 1 229.339 2.219 10 0 BEAEMO C[C@@H](C[N@@H+](C)[C@H](CN)C1CC1)C(C)(C)C ZINC000379779764 712398869 /nfs/dbraw/zinc/39/88/69/712398869.db2.gz BSGWSJISSZQMNN-CMPLNLGQSA-N 1 1 212.381 2.338 10 0 BEAEMO C=C/C=C/CC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000713646073 712468243 /nfs/dbraw/zinc/46/82/43/712468243.db2.gz PKOQNRGYTSDYKS-IHVVCDCBSA-N 1 1 207.317 2.420 10 0 BEAEMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cn(C)nn1 ZINC000715882090 712539949 /nfs/dbraw/zinc/53/99/49/712539949.db2.gz KFPZJZGOUHTBNJ-VHSXEESVSA-N 1 1 248.305 2.366 10 0 BEAEMO C[C@H]([NH2+][C@@H](C)c1cccs1)c1cn(C)nn1 ZINC000715887733 712540249 /nfs/dbraw/zinc/54/02/49/712540249.db2.gz CCFPCXRBRNHNSC-IUCAKERBSA-N 1 1 236.344 2.288 10 0 BEAEMO COC(C[NH2+][C@H](C)c1cc(F)ccc1F)OC ZINC000037566575 712666089 /nfs/dbraw/zinc/66/60/89/712666089.db2.gz KWDFDIJLMAMSOV-MRVPVSSYSA-N 1 1 245.269 2.234 10 0 BEAEMO COC(=O)[C@H]1CCC[N@@H+](CCCC(C)(F)F)C1 ZINC000718572252 712774989 /nfs/dbraw/zinc/77/49/89/712774989.db2.gz DOXQURQVRWLYPJ-JTQLQIEISA-N 1 1 249.301 2.307 10 0 BEAEMO Cc1sccc1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720585533 712854945 /nfs/dbraw/zinc/85/49/45/712854945.db2.gz ZOCYHKBVSXTVCR-MRVPVSSYSA-N 1 1 236.344 2.036 10 0 BEAEMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N)nc1 ZINC000136532492 960769487 /nfs/dbraw/zinc/76/94/87/960769487.db2.gz BHNONYHOYHZMGJ-PWSUYJOCSA-N 1 1 219.332 2.427 10 0 BEAEMO CN1CCC[C@@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123592219 961365307 /nfs/dbraw/zinc/36/53/07/961365307.db2.gz KDWUBBSIAJCQIP-JTQLQIEISA-N 1 1 238.297 2.260 10 0 BEAEMO Cc1cccc(C)c1C[NH2+]Cc1nccn1C ZINC000130401547 1166209741 /nfs/dbraw/zinc/20/97/41/1166209741.db2.gz IAZGZROKCAPJAM-UHFFFAOYSA-N 1 1 229.327 2.327 10 0 BEAEMO COC(=O)[C@@H](CC(C)C)[NH2+]C1CCCCC1 ZINC000036980693 1168413051 /nfs/dbraw/zinc/41/30/51/1168413051.db2.gz DTRSGWQKXUTKFJ-GFCCVEGCSA-N 1 1 227.348 2.496 10 0 BEAEMO Clc1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000054765733 1169138686 /nfs/dbraw/zinc/13/86/86/1169138686.db2.gz NZEBGURJVIWEQK-UHFFFAOYSA-N 1 1 233.702 2.420 10 0 BEAEMO CC(C)[N@@H+]1CC[C@H](N)C12CCC(C)CC2 ZINC000685954157 538899425 /nfs/dbraw/zinc/89/94/25/538899425.db2.gz LNZDWRJOCUOREM-CPCZMJQVSA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@H](N)C12CCC(C)CC2 ZINC000685954157 538899426 /nfs/dbraw/zinc/89/94/26/538899426.db2.gz LNZDWRJOCUOREM-CPCZMJQVSA-N 1 1 210.365 2.377 10 0 BEAEMO CC[NH2+]CC(F)(F)COC(C)(C)CC ZINC000685957099 538903556 /nfs/dbraw/zinc/90/35/56/538903556.db2.gz MIWFCLGXSOLZQJ-UHFFFAOYSA-N 1 1 209.280 2.436 10 0 BEAEMO C[NH2+]CC(F)(F)COCCC(C)(C)C ZINC000685957139 538903973 /nfs/dbraw/zinc/90/39/73/538903973.db2.gz RIBJNGINCIRVPZ-UHFFFAOYSA-N 1 1 209.280 2.294 10 0 BEAEMO CCC[NH2+]CC(F)(F)COCCSC ZINC000685957610 538905047 /nfs/dbraw/zinc/90/50/47/538905047.db2.gz CVHHMLOHDDBSMK-UHFFFAOYSA-N 1 1 227.320 2.001 10 0 BEAEMO CC(C)[C@]1(CO)C[C@@H]1C[N@H+]1CCC[C@@H](C)C1 ZINC000685961401 538908605 /nfs/dbraw/zinc/90/86/05/538908605.db2.gz REOKHUNAXHKBAS-MGPQQGTHSA-N 1 1 225.376 2.373 10 0 BEAEMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)C(C)(C)C ZINC000685961443 538908731 /nfs/dbraw/zinc/90/87/31/538908731.db2.gz IIAXDBRXSKMBLK-CYBMUJFWSA-N 1 1 248.370 2.061 10 0 BEAEMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)C(C)(C)C ZINC000685961443 538908733 /nfs/dbraw/zinc/90/87/33/538908733.db2.gz IIAXDBRXSKMBLK-CYBMUJFWSA-N 1 1 248.370 2.061 10 0 BEAEMO CC(C)CC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685962196 538909068 /nfs/dbraw/zinc/90/90/68/538909068.db2.gz XUWAENGLAINORM-AWEZNQCLSA-N 1 1 248.370 2.061 10 0 BEAEMO CC(C)CC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685962196 538909071 /nfs/dbraw/zinc/90/90/71/538909071.db2.gz XUWAENGLAINORM-AWEZNQCLSA-N 1 1 248.370 2.061 10 0 BEAEMO CC(C)[N@@H+]1CC[C@H](N)[C@@]12CCCC[C@H]2C ZINC000685952772 538896835 /nfs/dbraw/zinc/89/68/35/538896835.db2.gz CUAIQZBKRPFHCF-AGIUHOORSA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@H](N)[C@@]12CCCC[C@H]2C ZINC000685952772 538896836 /nfs/dbraw/zinc/89/68/36/538896836.db2.gz CUAIQZBKRPFHCF-AGIUHOORSA-N 1 1 210.365 2.377 10 0 BEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616587924 349462033 /nfs/dbraw/zinc/46/20/33/349462033.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 1 1 227.311 2.377 10 0 BEAEMO CC[N@@H+]1CCc2ccccc2[C@@H]1c1c[nH]cn1 ZINC000616587924 349462035 /nfs/dbraw/zinc/46/20/35/349462035.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 1 1 227.311 2.377 10 0 BEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1c[nH]cn1 ZINC000616587924 349462038 /nfs/dbraw/zinc/46/20/38/349462038.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 1 1 227.311 2.377 10 0 BEAEMO c1ccc(C[N@H+]2CC[C@@H](c3cccnn3)C2)cc1 ZINC000616611800 349462336 /nfs/dbraw/zinc/46/23/36/349462336.db2.gz RLXLWZNFIRQRIN-CQSZACIVSA-N 1 1 239.322 2.466 10 0 BEAEMO CCC(CC)(CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019807809 168322568 /nfs/dbraw/zinc/32/25/68/168322568.db2.gz JHKTUUTYIVTHPT-TXEJJXNPSA-N 1 1 212.381 2.482 10 0 BEAEMO c1ccc(C[N@H+]2CC[C@@H](c3ccncn3)C2)cc1 ZINC000616612203 349478601 /nfs/dbraw/zinc/47/86/01/349478601.db2.gz WUHOWCLFTOKQEZ-CQSZACIVSA-N 1 1 239.322 2.466 10 0 BEAEMO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1N ZINC000035787428 178008116 /nfs/dbraw/zinc/00/81/16/178008116.db2.gz ZKNRWWAKEHPCKT-RYUDHWBXSA-N 1 1 234.343 2.186 10 0 BEAEMO Cc1cc(CNC[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000049686696 178024218 /nfs/dbraw/zinc/02/42/18/178024218.db2.gz XIDDBEJZAZIJHQ-GFCCVEGCSA-N 1 1 238.400 2.406 10 0 BEAEMO Cc1cc(CNC[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC000049686696 178024220 /nfs/dbraw/zinc/02/42/20/178024220.db2.gz XIDDBEJZAZIJHQ-GFCCVEGCSA-N 1 1 238.400 2.406 10 0 BEAEMO Cc1nccc(N[C@@H](C)C[C@@H](C)[NH3+])c1Cl ZINC000379810878 398169733 /nfs/dbraw/zinc/16/97/33/398169733.db2.gz AEPHLPSTBXDPLD-SFYZADRCSA-N 1 1 227.739 2.003 10 0 BEAEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616617069 398178496 /nfs/dbraw/zinc/17/84/96/398178496.db2.gz HNKVMWISZSTDLQ-CQSZACIVSA-N 1 1 246.354 2.373 10 0 BEAEMO Cc1cc(F)ccc1-c1[nH+]cn(C)c1N ZINC000104848101 178080587 /nfs/dbraw/zinc/08/05/87/178080587.db2.gz JBBSHFIRSXGLEO-UHFFFAOYSA-N 1 1 205.236 2.117 10 0 BEAEMO Cc1cc(F)ccc1-c1nnc([C@H](C)[NH3+])o1 ZINC000083351084 178081000 /nfs/dbraw/zinc/08/10/00/178081000.db2.gz DSVYJPKSGSKYCA-ZETCQYMHSA-N 1 1 221.235 2.204 10 0 BEAEMO Cc1cc(F)ccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061984673 178091288 /nfs/dbraw/zinc/09/12/88/178091288.db2.gz GOICFBFRLWURIG-LLVKDONJSA-N 1 1 208.280 2.250 10 0 BEAEMO Cc1cc(N)ccc1NC(=O)[C@@H](C)[N@H+](C)C(C)C ZINC000019257431 178105953 /nfs/dbraw/zinc/10/59/53/178105953.db2.gz YMZCOQKIUAXPPL-LLVKDONJSA-N 1 1 249.358 2.244 10 0 BEAEMO Cc1cc(N)ccc1[N@@H+]1CCC[C@H]1CCCO ZINC000052760082 178106034 /nfs/dbraw/zinc/10/60/34/178106034.db2.gz MOXNWTVNSGOPHO-ZDUSSCGKSA-N 1 1 234.343 2.319 10 0 BEAEMO Cc1cc(N)ccc1[N@H+]1CCC[C@H]1CCCO ZINC000052760082 178106035 /nfs/dbraw/zinc/10/60/35/178106035.db2.gz MOXNWTVNSGOPHO-ZDUSSCGKSA-N 1 1 234.343 2.319 10 0 BEAEMO Cc1cc([NH2+]C[C@@H]2CCOC2)ccc1N ZINC000061146703 178166452 /nfs/dbraw/zinc/16/64/52/178166452.db2.gz BHYSXODQZDFCMA-JTQLQIEISA-N 1 1 206.289 2.026 10 0 BEAEMO Cc1cc(NN)c2cc(OC(F)F)ccc2[nH+]1 ZINC000051170173 178176442 /nfs/dbraw/zinc/17/64/42/178176442.db2.gz UWANPCZFHCOKEC-UHFFFAOYSA-N 1 1 239.225 2.430 10 0 BEAEMO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]23)ccc1N ZINC000049564624 178182514 /nfs/dbraw/zinc/18/25/14/178182514.db2.gz RJAVKSWWZJLIEZ-ZIAGYGMSSA-N 1 1 231.343 2.226 10 0 BEAEMO OCCC[C@H]1CCC[N@H+]1CCC[C@H]1CCOC1 ZINC000400496918 398227118 /nfs/dbraw/zinc/22/71/18/398227118.db2.gz FWNIBTUWRPZKDR-UONOGXRCSA-N 1 1 241.375 2.040 10 0 BEAEMO OCCC[C@@H]1CCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000400496916 398227186 /nfs/dbraw/zinc/22/71/86/398227186.db2.gz FWNIBTUWRPZKDR-KGLIPLIRSA-N 1 1 241.375 2.040 10 0 BEAEMO C[C@@H]1CCSCC[N@H+]1C1CCC(=O)CC1 ZINC000306642809 361772677 /nfs/dbraw/zinc/77/26/77/361772677.db2.gz UVLMQAAPDMOUCE-SNVBAGLBSA-N 1 1 227.373 2.326 10 0 BEAEMO Cc1cc([C@@]2(O)CC[N@H+](C3CC3)C2)ccc1F ZINC000061988352 178244434 /nfs/dbraw/zinc/24/44/34/178244434.db2.gz JNVFCRQZQCKZCC-CQSZACIVSA-N 1 1 235.302 2.190 10 0 BEAEMO Cc1cc2nc(C[NH3+])[nH]c2cc1Br ZINC000062152751 178277222 /nfs/dbraw/zinc/27/72/22/178277222.db2.gz ROZUZNCEWSCBBE-UHFFFAOYSA-N 1 1 240.104 2.093 10 0 BEAEMO Clc1cccc2c1[C@@H]([NH2+][C@H]1CCOC1)CO2 ZINC000367282785 398248954 /nfs/dbraw/zinc/24/89/54/398248954.db2.gz OHZJPAUQBCEHNX-WPRPVWTQSA-N 1 1 239.702 2.152 10 0 BEAEMO Cc1cc2c(n1CC[N@H+](C)C1CC1)CCCC2=O ZINC000062011358 178293263 /nfs/dbraw/zinc/29/32/63/178293263.db2.gz VXKWGZUJXSDYCI-UHFFFAOYSA-N 1 1 246.354 2.410 10 0 BEAEMO CC1(C)C[N@@H+](C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC000381271671 398249917 /nfs/dbraw/zinc/24/99/17/398249917.db2.gz VSRGFCXRCDNZIB-NEPJUHHUSA-N 1 1 243.416 2.365 10 0 BEAEMO Cc1ccc(-c2[nH+]cn(C)c2N)cc1C ZINC000104846828 178339644 /nfs/dbraw/zinc/33/96/44/178339644.db2.gz HMZZARQNWCILSH-UHFFFAOYSA-N 1 1 201.273 2.286 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@@H](C)CC(=O)OC ZINC000042680311 168374257 /nfs/dbraw/zinc/37/42/57/168374257.db2.gz ZCVXRJUSQRLHDR-NSHDSACASA-N 1 1 245.363 2.075 10 0 BEAEMO CCC(CC)[N@@H+](CCO)[C@@H]1CCCCC[C@@H]1N ZINC000042513321 168374370 /nfs/dbraw/zinc/37/43/70/168374370.db2.gz DGIKIJLDVJATCK-UONOGXRCSA-N 1 1 242.407 2.129 10 0 BEAEMO C[N@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616612502 349566481 /nfs/dbraw/zinc/56/64/81/349566481.db2.gz DROBPISLOLYALC-LLVKDONJSA-N 1 1 213.284 2.049 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)CC[C@H]1CCC[NH2+]1 ZINC000042681746 168373714 /nfs/dbraw/zinc/37/37/14/168373714.db2.gz WYHAQCOTBIFSJF-CYBMUJFWSA-N 1 1 242.407 2.266 10 0 BEAEMO CCC(CC)[N@H+](CCOC)[C@@H](CN)[C@@H](C)CC ZINC000042614960 168374035 /nfs/dbraw/zinc/37/40/35/168374035.db2.gz XRYLSMVXJGJONX-JSGCOSHPSA-N 1 1 244.423 2.497 10 0 BEAEMO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)[C@@H](C)CN1 ZINC000381580605 398264862 /nfs/dbraw/zinc/26/48/62/398264862.db2.gz BNNMUWSWQHFDKU-GRYCIOLGSA-N 1 1 246.345 2.494 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)[C@@H](C)CN1 ZINC000381580605 398264866 /nfs/dbraw/zinc/26/48/66/398264866.db2.gz BNNMUWSWQHFDKU-GRYCIOLGSA-N 1 1 246.345 2.494 10 0 BEAEMO CCC(CC)[N@@H+](CCO)C[C@H]1CCCCC1=O ZINC000060720417 168374556 /nfs/dbraw/zinc/37/45/56/168374556.db2.gz CJSQCQKHKAAIPV-GFCCVEGCSA-N 1 1 241.375 2.229 10 0 BEAEMO CCC(CC)N(CCOC)c1ccc(N)[nH+]c1 ZINC000042614401 168376427 /nfs/dbraw/zinc/37/64/27/168376427.db2.gz DYKWDFVMECWCKK-UHFFFAOYSA-N 1 1 237.347 2.305 10 0 BEAEMO Cc1cc(C[NH2+]Cc2ccno2)cc(C)c1O ZINC000231881346 342742727 /nfs/dbraw/zinc/74/27/27/342742727.db2.gz VSTDIZQZHRJVNT-UHFFFAOYSA-N 1 1 232.283 2.287 10 0 BEAEMO C[N@H+]1CCC[C@@H]2c3cccnc3CC[C@@H]21 ZINC000148803626 342792635 /nfs/dbraw/zinc/79/26/35/342792635.db2.gz LVNDFGACOZPSFH-YPMHNXCESA-N 1 1 202.301 2.206 10 0 BEAEMO CCN1CC[N@@H+](C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255222 342795165 /nfs/dbraw/zinc/79/51/65/342795165.db2.gz CGDOSHBKKLEQKC-RYUDHWBXSA-N 1 1 246.345 2.448 10 0 BEAEMO CC[N@@H+]1CCN(C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255222 342795166 /nfs/dbraw/zinc/79/51/66/342795166.db2.gz CGDOSHBKKLEQKC-RYUDHWBXSA-N 1 1 246.345 2.448 10 0 BEAEMO CC[N@H+]1CCN(C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255222 342795167 /nfs/dbraw/zinc/79/51/67/342795167.db2.gz CGDOSHBKKLEQKC-RYUDHWBXSA-N 1 1 246.345 2.448 10 0 BEAEMO c1coc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979199 398303996 /nfs/dbraw/zinc/30/39/96/398303996.db2.gz UMPDKQKKXVHSJS-STQMWFEESA-N 1 1 221.300 2.423 10 0 BEAEMO c1coc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979199 398304000 /nfs/dbraw/zinc/30/40/00/398304000.db2.gz UMPDKQKKXVHSJS-STQMWFEESA-N 1 1 221.300 2.423 10 0 BEAEMO C[C@@H]1OCC[C@@H]1[N@H+](C)Cc1cnc(Cl)s1 ZINC000134674691 342876100 /nfs/dbraw/zinc/87/61/00/342876100.db2.gz VBTUOVCLVJKDCQ-CBAPKCEASA-N 1 1 246.763 2.406 10 0 BEAEMO C[C@@H]1OCC[C@@H]1[N@@H+](C)Cc1cnc(Cl)s1 ZINC000134674691 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346722240 /nfs/dbraw/zinc/72/22/40/346722240.db2.gz NKSYFBKULBVPBK-YGRLFVJLSA-N 1 1 245.326 2.220 10 0 BEAEMO Cc1cccc(NCC[N@H+]2CC[C@H](N(C)C)C2)c1 ZINC000062974125 179145147 /nfs/dbraw/zinc/14/51/47/179145147.db2.gz UKZFXAPRTXLFRR-HNNXBMFYSA-N 1 1 247.386 2.043 10 0 BEAEMO Cc1cccc(NCC[N@@H+]2CC[C@H](N(C)C)C2)c1 ZINC000062974125 179145150 /nfs/dbraw/zinc/14/51/50/179145150.db2.gz UKZFXAPRTXLFRR-HNNXBMFYSA-N 1 1 247.386 2.043 10 0 BEAEMO Cc1cccc(OCC[N@H+](C)[C@H]2CCC[C@H]2O)c1 ZINC000352691303 179166712 /nfs/dbraw/zinc/16/67/12/179166712.db2.gz GCBBQBFGGOAMAH-LSDHHAIUSA-N 1 1 249.354 2.219 10 0 BEAEMO CCCC[C@H](CC)C[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000310141061 347237320 /nfs/dbraw/zinc/23/73/20/347237320.db2.gz NBDMMKRYQWZJHV-MJBXVCDLSA-N 1 1 243.391 2.284 10 0 BEAEMO CCCC[C@H](CC)C[N@H+]1C[C@H](OC)C[C@@H]1CO ZINC000310141057 347237663 /nfs/dbraw/zinc/23/76/63/347237663.db2.gz NBDMMKRYQWZJHV-BFHYXJOUSA-N 1 1 243.391 2.284 10 0 BEAEMO Cc1cccc([C@H](CN)[N@@H+](C)C2CC2)c1 ZINC000037080683 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ZINC000043033264 179346690 /nfs/dbraw/zinc/34/66/90/179346690.db2.gz WAFPXFYLPSMKFY-JSGCOSHPSA-N 1 1 218.344 2.479 10 0 BEAEMO COC(=O)[C@@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000595304347 348221391 /nfs/dbraw/zinc/22/13/91/348221391.db2.gz CTNVCGVMAMIOML-GFCCVEGCSA-N 1 1 225.332 2.228 10 0 BEAEMO Cc1cccnc1C[N@H+]1CCC[C@H]1CCCO ZINC000093170905 179374859 /nfs/dbraw/zinc/37/48/59/179374859.db2.gz BVQPLVPKKHHUIO-ZDUSSCGKSA-N 1 1 234.343 2.127 10 0 BEAEMO Cc1cccnc1CN1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000071345081 179377425 /nfs/dbraw/zinc/37/74/25/179377425.db2.gz KSHXTMXWOINATJ-JSGCOSHPSA-N 1 1 247.386 2.210 10 0 BEAEMO CCOC(=O)[C@@H](C)[N@@H+](C)CCC1CCC1 ZINC000595375077 348232359 /nfs/dbraw/zinc/23/23/59/348232359.db2.gz MNGKHROLEOWULM-SNVBAGLBSA-N 1 1 213.321 2.060 10 0 BEAEMO [NH3+][C@@H](c1cccs1)c1ncccc1F ZINC000131335504 348601807 /nfs/dbraw/zinc/60/18/07/348601807.db2.gz DVWZWWGRXRZMNA-VIFPVBQESA-N 1 1 208.261 2.330 10 0 BEAEMO Cc1cnc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)o1 ZINC000300404649 179598395 /nfs/dbraw/zinc/59/83/95/179598395.db2.gz UJBZIRGSKUVYBT-YPMHNXCESA-N 1 1 249.358 2.042 10 0 BEAEMO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000308826360 348758913 /nfs/dbraw/zinc/75/89/13/348758913.db2.gz DSSHYHPKBXMDJL-KWQFWETISA-N 1 1 201.273 2.061 10 0 BEAEMO C[C@H]1C[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000308852024 348856465 /nfs/dbraw/zinc/85/64/65/348856465.db2.gz OPRHNFZOEIDFDI-GZMMTYOYSA-N 1 1 201.273 2.061 10 0 BEAEMO C[C@@H]1C[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000308852025 348857862 /nfs/dbraw/zinc/85/78/62/348857862.db2.gz OPRHNFZOEIDFDI-KCJUWKMLSA-N 1 1 201.273 2.061 10 0 BEAEMO CCC1CCC([N@H+]2CCNC[C@H]2C)CC1 ZINC000082848771 538019056 /nfs/dbraw/zinc/01/90/56/538019056.db2.gz RJGYDRRKVPLFSA-PNESKVBLSA-N 1 1 210.365 2.249 10 0 BEAEMO CCC1CCC(N2CC[NH2+]C[C@H]2C)CC1 ZINC000082848771 538019059 /nfs/dbraw/zinc/01/90/59/538019059.db2.gz RJGYDRRKVPLFSA-PNESKVBLSA-N 1 1 210.365 2.249 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc(F)c1 ZINC000399300859 323203002 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368943536 /nfs/dbraw/zinc/94/35/36/368943536.db2.gz LEVUENQXPLELPH-NSHDSACASA-N 1 1 213.284 2.382 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000631837819 369103435 /nfs/dbraw/zinc/10/34/35/369103435.db2.gz XLUNVEKWODRWFX-UTUOFQBUSA-N 1 1 246.345 2.339 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000631837321 369096498 /nfs/dbraw/zinc/09/64/98/369096498.db2.gz QSJAIXGKHHEXPK-MQYQWHSLSA-N 1 1 224.392 2.339 10 0 BEAEMO C[N@H+]1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616602136 369100391 /nfs/dbraw/zinc/10/03/91/369100391.db2.gz HEJJIENNFUKQFJ-AWEZNQCLSA-N 1 1 219.328 2.378 10 0 BEAEMO COC(=O)[C@H]([NH2+]C1(C2CCC2)CCC1)C1CC1 ZINC000459751315 203356716 /nfs/dbraw/zinc/35/67/16/203356716.db2.gz ANJDABSREOGDCO-GFCCVEGCSA-N 1 1 237.343 2.250 10 0 BEAEMO COC(=O)[C@@H]([NH2+]C1(C2CCC2)CCC1)C1CC1 ZINC000459751318 203357348 /nfs/dbraw/zinc/35/73/48/203357348.db2.gz ANJDABSREOGDCO-LBPRGKRZSA-N 1 1 237.343 2.250 10 0 BEAEMO CC1=[N+](O)C2(CCCC2)[N+]([O-])=C1c1ccccc1 ZINC000225412293 370579309 /nfs/dbraw/zinc/57/93/09/370579309.db2.gz JEMHQWLFKSNTEO-UHFFFAOYSA-N 1 1 246.310 2.024 10 0 BEAEMO [NH3+]Cc1nnc(CCC2CCCCC2)o1 ZINC000050283489 181505722 /nfs/dbraw/zinc/50/57/22/181505722.db2.gz VZLACGXIGRPYKS-UHFFFAOYSA-N 1 1 209.293 2.041 10 0 BEAEMO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000389961604 371183917 /nfs/dbraw/zinc/18/39/17/371183917.db2.gz WAZLYDKAASZLKO-ZYHUDNBSSA-N 1 1 207.321 2.468 10 0 BEAEMO CCCC[N@@H+](CC)[C@H](CN)CC(C)C ZINC000019280600 168802507 /nfs/dbraw/zinc/80/25/07/168802507.db2.gz OIXLNVHAQSJOGZ-LBPRGKRZSA-N 1 1 200.370 2.482 10 0 BEAEMO CCCC[N@@H+](CC)[C@@H](CN)CC(C)C ZINC000019280598 168802714 /nfs/dbraw/zinc/80/27/14/168802714.db2.gz OIXLNVHAQSJOGZ-GFCCVEGCSA-N 1 1 200.370 2.482 10 0 BEAEMO COc1ccc(C)cc1C(F)(F)C[NH3+] ZINC000131741908 371664753 /nfs/dbraw/zinc/66/47/53/371664753.db2.gz BOIKNBOGDAIAJT-UHFFFAOYSA-N 1 1 201.216 2.054 10 0 BEAEMO C[N@H+]1CCC[C@H](c2ccccc2CO)CC1 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ZINC000043026294 169085712 /nfs/dbraw/zinc/08/57/12/169085712.db2.gz XGDWLSOZCWLURB-BXUZGUMPSA-N 1 1 236.359 2.425 10 0 BEAEMO O[C@@]1(CCc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000061988129 183216724 /nfs/dbraw/zinc/21/67/24/183216724.db2.gz QLDWKLFRPDXYPP-HNNXBMFYSA-N 1 1 231.339 2.218 10 0 BEAEMO O[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000306645869 183238856 /nfs/dbraw/zinc/23/88/56/183238856.db2.gz FYGATCWFCMOQQG-ZDUSSCGKSA-N 1 1 217.312 2.176 10 0 BEAEMO O[C@H]1C[C@@H]2CC[C@H]1[N@@H+](Cc1ccccc1)C2 ZINC000000173605 183248580 /nfs/dbraw/zinc/24/85/80/183248580.db2.gz LSQZRPLAUOVRPZ-MJBXVCDLSA-N 1 1 217.312 2.032 10 0 BEAEMO CCC[N@@H+](CC)CCc1nc2cc(N)ccc2[nH]1 ZINC000035659163 169123576 /nfs/dbraw/zinc/12/35/76/169123576.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 1 1 246.358 2.420 10 0 BEAEMO CCC[N@H+](CC)CCc1nc2ccc(N)cc2[nH]1 ZINC000035659163 169123577 /nfs/dbraw/zinc/12/35/77/169123577.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 1 1 246.358 2.420 10 0 BEAEMO CCC[N@@H+](CC)CCc1nc2ccc(N)cc2[nH]1 ZINC000035659163 169123579 /nfs/dbraw/zinc/12/35/79/169123579.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 1 1 246.358 2.420 10 0 BEAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCCCF)CC2 ZINC000309352386 183252732 /nfs/dbraw/zinc/25/27/32/183252732.db2.gz XSPOFSYJWVZHKT-STQMWFEESA-N 1 1 229.339 2.363 10 0 BEAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCCCF)CC2 ZINC000309352381 183252847 /nfs/dbraw/zinc/25/28/47/183252847.db2.gz XSPOFSYJWVZHKT-OLZOCXBDSA-N 1 1 229.339 2.363 10 0 BEAEMO O[C@H]1CCCC[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000028232218 183232509 /nfs/dbraw/zinc/23/25/09/183232509.db2.gz TYFVIIFOPODLOW-CABCVRRESA-N 1 1 231.339 2.348 10 0 BEAEMO CCC[NH+](CCC)[C@@H](CN)c1ccccn1 ZINC000019279626 169151248 /nfs/dbraw/zinc/15/12/48/169151248.db2.gz BJHHMOPZESIFOB-ZDUSSCGKSA-N 1 1 221.348 2.203 10 0 BEAEMO Oc1ccc2c(c1)OC[C@@H]2[NH2+]Cc1ccncc1 ZINC000020140175 183281322 /nfs/dbraw/zinc/28/13/22/183281322.db2.gz MTAXRWZBWSOOLP-ZDUSSCGKSA-N 1 1 242.278 2.011 10 0 BEAEMO CCCN(CCC)C[C@H]([NH3+])[C@@H](C)CC ZINC000020072234 169148524 /nfs/dbraw/zinc/14/85/24/169148524.db2.gz YJLWEGPFWMDFOF-RYUDHWBXSA-N 1 1 200.370 2.482 10 0 BEAEMO CCC[NH+](CCC)[C@H](CN)c1ccco1 ZINC000019795929 169152934 /nfs/dbraw/zinc/15/29/34/169152934.db2.gz GXWBYYWMBFLSPJ-LLVKDONJSA-N 1 1 210.321 2.401 10 0 BEAEMO CCC[N@H+](CCN)Cc1cccc(C)c1 ZINC000032011643 169158026 /nfs/dbraw/zinc/15/80/26/169158026.db2.gz HYGWCLLVIITASQ-UHFFFAOYSA-N 1 1 206.333 2.166 10 0 BEAEMO CCC[N@@H+](CCN)Cc1cccc(C)c1 ZINC000032011643 169158027 /nfs/dbraw/zinc/15/80/27/169158027.db2.gz HYGWCLLVIITASQ-UHFFFAOYSA-N 1 1 206.333 2.166 10 0 BEAEMO Oc1cccc([C@@H]2C[N@H+](CCCF)CCO2)c1 ZINC000126282191 183293969 /nfs/dbraw/zinc/29/39/69/183293969.db2.gz NXZKVOWKYDGYCL-ZDUSSCGKSA-N 1 1 239.290 2.125 10 0 BEAEMO Oc1cccc([C@@H]2C[N@@H+](CCCF)CCO2)c1 ZINC000126282191 183293971 /nfs/dbraw/zinc/29/39/71/183293971.db2.gz NXZKVOWKYDGYCL-ZDUSSCGKSA-N 1 1 239.290 2.125 10 0 BEAEMO CCC[N@@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000085576486 169165829 /nfs/dbraw/zinc/16/58/29/169165829.db2.gz KGPJWNKYKUHRRH-CYBMUJFWSA-N 1 1 219.328 2.031 10 0 BEAEMO CCC[N@H+]1CC[C@@H](CC(=O)OC)C[C@@H]1C ZINC000073655992 169204972 /nfs/dbraw/zinc/20/49/72/169204972.db2.gz NXCIAWKRAIRJEC-WDEREUQCSA-N 1 1 213.321 2.060 10 0 BEAEMO CCCN1CC[C@@H]([NH+](CC)CC)[C@H](C)C1 ZINC000073654068 169206278 /nfs/dbraw/zinc/20/62/78/169206278.db2.gz XFKDNNXXXRQXHS-CHWSQXEVSA-N 1 1 212.381 2.449 10 0 BEAEMO CCC[N@H+]1CC[C@H](CC(=O)OCC)C[C@@H]1C ZINC000073655995 169206413 /nfs/dbraw/zinc/20/64/13/169206413.db2.gz FGVINUJADVDVQD-RYUDHWBXSA-N 1 1 227.348 2.450 10 0 BEAEMO CCCN1CC[C@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000073653963 169208841 /nfs/dbraw/zinc/20/88/41/169208841.db2.gz UQUJSJQFNFSMPR-NEPJUHHUSA-N 1 1 212.381 2.495 10 0 BEAEMO CCC[N@H+]1CCc2nc(NCC)sc2C1 ZINC000061714358 169208854 /nfs/dbraw/zinc/20/88/54/169208854.db2.gz IBWLAMLDEZJSPN-UHFFFAOYSA-N 1 1 225.361 2.343 10 0 BEAEMO c1cc2c(C[C@H]3CCC[NH2+]C3)[nH]ccc-2n1 ZINC000089220623 183363833 /nfs/dbraw/zinc/36/38/33/183363833.db2.gz YOTBTKLEMRUORY-SNVBAGLBSA-N 1 1 215.300 2.105 10 0 BEAEMO CCC[NH2+]CC[C@@H](C)N(CC)C[C@@H]1CCCO1 ZINC000052511164 169260379 /nfs/dbraw/zinc/26/03/79/169260379.db2.gz OPPAWWQIQVFXDU-KGLIPLIRSA-N 1 1 242.407 2.266 10 0 BEAEMO c1cc2[nH]c(CC[C@H]3CCCC[NH2+]3)nc2cn1 ZINC000071166680 183377400 /nfs/dbraw/zinc/37/74/00/183377400.db2.gz HLXMRSRUJIIZRI-SNVBAGLBSA-N 1 1 230.315 2.033 10 0 BEAEMO c1cc2nc(CC[C@H]3CCCC[NH2+]3)nc-2c[nH]1 ZINC000071166680 183377402 /nfs/dbraw/zinc/37/74/02/183377402.db2.gz HLXMRSRUJIIZRI-SNVBAGLBSA-N 1 1 230.315 2.033 10 0 BEAEMO CCC[NH2+]Cc1nc2cccc(C)c2[nH]1 ZINC000044624191 169269529 /nfs/dbraw/zinc/26/95/29/169269529.db2.gz KTJPYORCHWXVNE-UHFFFAOYSA-N 1 1 203.289 2.371 10 0 BEAEMO CCCO[C@H]1CCC[N@@H+](CCC(C)=O)CC1 ZINC000108398506 169311685 /nfs/dbraw/zinc/31/16/85/169311685.db2.gz HVPMFSHJPVOJAZ-ZDUSSCGKSA-N 1 1 227.348 2.247 10 0 BEAEMO CCCO[C@@H]1CCC[N@@H+](Cc2cncnc2)CC1 ZINC000124011372 169311718 /nfs/dbraw/zinc/31/17/18/169311718.db2.gz ZYSPGJZMCVNRTJ-CQSZACIVSA-N 1 1 249.358 2.258 10 0 BEAEMO CCCO[C@H]1CCC[N@@H+](Cc2cncnc2)CC1 ZINC000124011604 169312909 /nfs/dbraw/zinc/31/29/09/169312909.db2.gz ZYSPGJZMCVNRTJ-AWEZNQCLSA-N 1 1 249.358 2.258 10 0 BEAEMO CCCNc1cc2c(nn1)CC[N@@H+](CCC)C2 ZINC000054931221 169294212 /nfs/dbraw/zinc/29/42/12/169294212.db2.gz HISGKWGLSGGDSY-UHFFFAOYSA-N 1 1 234.347 2.067 10 0 BEAEMO C[C@@H](O)[C@@H](C)Nc1cc[nH+]cc1Br ZINC000306525782 383841139 /nfs/dbraw/zinc/84/11/39/383841139.db2.gz RIRZVTHMASDRTG-RNFRBKRXSA-N 1 1 245.120 2.025 10 0 BEAEMO FC1(F)C[NH2+]CC[C@@H]1COCc1ccccc1 ZINC000066351302 383862186 /nfs/dbraw/zinc/86/21/86/383862186.db2.gz CSJSUJYURQPBAA-GFCCVEGCSA-N 1 1 241.281 2.448 10 0 BEAEMO CN(C)C[C@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000575622613 383877980 /nfs/dbraw/zinc/87/79/80/383877980.db2.gz XSUCJUFRUZLKAZ-CQSZACIVSA-N 1 1 236.334 2.162 10 0 BEAEMO C[NH2+][C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000050269833 383990871 /nfs/dbraw/zinc/99/08/71/383990871.db2.gz WVELHJDCINDLNR-SECBINFHSA-N 1 1 219.115 2.213 10 0 BEAEMO C[C@@H]([NH2+]Cc1ccncc1)c1nccs1 ZINC000070621427 384124487 /nfs/dbraw/zinc/12/44/87/384124487.db2.gz ZGKCTZUFSUFCMU-SECBINFHSA-N 1 1 219.313 2.389 10 0 BEAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000116318606 384129092 /nfs/dbraw/zinc/12/90/92/384129092.db2.gz JYQBFEOPZIVCEJ-CQSZACIVSA-N 1 1 241.338 2.410 10 0 BEAEMO C[N@@H+](C[C@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224169 384195216 /nfs/dbraw/zinc/19/52/16/384195216.db2.gz QFMLXROKIICHIT-CQSZACIVSA-N 1 1 249.354 2.003 10 0 BEAEMO Cc1n[nH]cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438515 384240627 /nfs/dbraw/zinc/24/06/27/384240627.db2.gz LWKIHDUIEFAQCT-CYBMUJFWSA-N 1 1 245.330 2.168 10 0 BEAEMO Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438515 384240632 /nfs/dbraw/zinc/24/06/32/384240632.db2.gz LWKIHDUIEFAQCT-CYBMUJFWSA-N 1 1 245.330 2.168 10 0 BEAEMO CC(C)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000082699253 384255209 /nfs/dbraw/zinc/25/52/09/384255209.db2.gz RNTWTLVUHAHMTF-CHWSQXEVSA-N 1 1 210.365 2.201 10 0 BEAEMO CCCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000082725897 384259563 /nfs/dbraw/zinc/25/95/63/384259563.db2.gz UINDLKHKOGOFOF-QWHCGFSZSA-N 1 1 210.365 2.345 10 0 BEAEMO C[NH+](C)CCNCc1ccc(Cl)c(F)c1 ZINC000043388164 384270044 /nfs/dbraw/zinc/27/00/44/384270044.db2.gz YASWDDNCYHBGER-UHFFFAOYSA-N 1 1 230.714 2.130 10 0 BEAEMO CCc1cc(=O)[nH]c(C[N@H+]2CCCC2(C)C)n1 ZINC000119888500 384314105 /nfs/dbraw/zinc/31/41/05/384314105.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N 1 1 235.331 2.119 10 0 BEAEMO CN(C)CC(C)(C)C[NH2+][C@H]1CCC1(C)C ZINC000308802843 384298633 /nfs/dbraw/zinc/29/86/33/384298633.db2.gz LLUQIVMIYWFLIV-NSHDSACASA-N 1 1 212.381 2.352 10 0 BEAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000094448469 384302606 /nfs/dbraw/zinc/30/26/06/384302606.db2.gz AUAUCKROQXDMJO-LSDHHAIUSA-N 1 1 245.370 2.140 10 0 BEAEMO FC(F)(F)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095076957 384353181 /nfs/dbraw/zinc/35/31/81/384353181.db2.gz AKBIYCYPMJGIDW-NSHDSACASA-N 1 1 244.260 2.370 10 0 BEAEMO C[C@@H]1C[C@H](N(C)Cc2nccs2)CC[N@H+]1C ZINC000135123106 384415723 /nfs/dbraw/zinc/41/57/23/384415723.db2.gz VPGZRLNLRXKQTG-GHMZBOCLSA-N 1 1 239.388 2.058 10 0 BEAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)o1 ZINC000123601161 384571258 /nfs/dbraw/zinc/57/12/58/384571258.db2.gz IEXLAASRNPKRRO-LLVKDONJSA-N 1 1 233.315 2.481 10 0 BEAEMO C[NH+](C)CCn1cccc1[C@H](N)c1cccs1 ZINC000011848776 384619845 /nfs/dbraw/zinc/61/98/45/384619845.db2.gz NETCQYJJJOSYFW-ZDUSSCGKSA-N 1 1 249.383 2.159 10 0 BEAEMO C[C@H]1C[N@@H+](CCOC(C)(C)C)CCS1 ZINC000171687132 384628126 /nfs/dbraw/zinc/62/81/26/384628126.db2.gz JBWAZLLQLBYXGU-JTQLQIEISA-N 1 1 217.378 2.239 10 0 BEAEMO COC(=O)[C@](C)([NH3+])Cc1ccc2ccccc2c1 ZINC000034147243 384658020 /nfs/dbraw/zinc/65/80/20/384658020.db2.gz VQRFJJGBBKYJKC-OAHLLOKOSA-N 1 1 243.306 2.273 10 0 BEAEMO CCC[C@H](C)C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000051323750 384704045 /nfs/dbraw/zinc/70/40/45/384704045.db2.gz WVULPWVQXHINAZ-NWDGAFQWSA-N 1 1 227.348 2.450 10 0 BEAEMO NC[C@H]([NH3+])c1cccc(-c2ccccc2)c1 ZINC000044468876 384735276 /nfs/dbraw/zinc/73/52/76/384735276.db2.gz RGWXDRWEMCMNMG-AWEZNQCLSA-N 1 1 212.296 2.312 10 0 BEAEMO CC[C@@H]([NH2+]CCCN(C)C)C(C)(C)C ZINC000308597826 384833743 /nfs/dbraw/zinc/83/37/43/384833743.db2.gz NGTGGQGWEJHGDH-LLVKDONJSA-N 1 1 200.370 2.352 10 0 BEAEMO Cc1c(CNc2ccc(C)c[nH+]2)cnn1C ZINC000126220006 384781544 /nfs/dbraw/zinc/78/15/44/384781544.db2.gz MLVDSBNYPPHKEF-UHFFFAOYSA-N 1 1 216.288 2.044 10 0 BEAEMO CC(C)CCOCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000363481458 384788317 /nfs/dbraw/zinc/78/83/17/384788317.db2.gz SFRFVDWEBAANBZ-CQSZACIVSA-N 1 1 243.391 2.144 10 0 BEAEMO C[C@@H](C[NH3+])c1nc2ccc(Cl)cc2[nH]1 ZINC000054334247 384910785 /nfs/dbraw/zinc/91/07/85/384910785.db2.gz INXYWDPWFYQXFO-LURJTMIESA-N 1 1 209.680 2.279 10 0 BEAEMO CCC[C@H]1C[C@@H]1Nc1nc(N(C)C)cc[nH+]1 ZINC000301760360 384910846 /nfs/dbraw/zinc/91/08/46/384910846.db2.gz LYBFCNWHAZEEPP-UWVGGRQHSA-N 1 1 220.320 2.143 10 0 BEAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000127701435 384935430 /nfs/dbraw/zinc/93/54/30/384935430.db2.gz MBDOUDYFKSDQON-GFCCVEGCSA-N 1 1 205.305 2.347 10 0 BEAEMO COc1ccc(CNCC[C@H](C)[NH3+])cc1Cl ZINC000258721235 384940934 /nfs/dbraw/zinc/94/09/34/384940934.db2.gz IYWXUOZQEXDQRY-VIFPVBQESA-N 1 1 242.750 2.176 10 0 BEAEMO COC(C[N@H+]1CCCC12CCCC2)OC ZINC000377048886 384967931 /nfs/dbraw/zinc/96/79/31/384967931.db2.gz VGBJPJZPDUYOOR-UHFFFAOYSA-N 1 1 213.321 2.014 10 0 BEAEMO C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000128009424 384980589 /nfs/dbraw/zinc/98/05/89/384980589.db2.gz FNKHHUARPHRMKN-CYBMUJFWSA-N 1 1 245.326 2.174 10 0 BEAEMO CCc1ccc(C[N@@H+](C)C[C@H]2CCCO2)o1 ZINC000128042501 384983899 /nfs/dbraw/zinc/98/38/99/384983899.db2.gz DKPFJKRTQCPFBL-GFCCVEGCSA-N 1 1 223.316 2.453 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000294690214 385117074 /nfs/dbraw/zinc/11/70/74/385117074.db2.gz AOEBMJUXZHMICB-RNCFNFMXSA-N 1 1 241.281 2.310 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(F)cc1F ZINC000294690214 385117081 /nfs/dbraw/zinc/11/70/81/385117081.db2.gz AOEBMJUXZHMICB-RNCFNFMXSA-N 1 1 241.281 2.310 10 0 BEAEMO Cc1cncc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000189890318 385195346 /nfs/dbraw/zinc/19/53/46/385195346.db2.gz KSXBVCJWKIZJLA-ZFWWWQNUSA-N 1 1 245.370 2.059 10 0 BEAEMO C/C=C/C=C/C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176984787 385164046 /nfs/dbraw/zinc/16/40/46/385164046.db2.gz ZJLALANTRJYGGM-IXVLWOPBSA-N 1 1 236.359 2.061 10 0 BEAEMO CCCC[N@@H+](CC)C[C@@H](O)c1cccnc1 ZINC000062355359 385170805 /nfs/dbraw/zinc/17/08/05/385170805.db2.gz CUPHCFVOWQOAOC-CYBMUJFWSA-N 1 1 222.332 2.237 10 0 BEAEMO c1ccc(CN2C[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319964 /nfs/dbraw/zinc/31/99/64/385319964.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 1 1 242.366 2.213 10 0 BEAEMO CSCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000157798138 385282851 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COc1ccc(C[N@H+](CCN)C2CCCC2)cc1 ZINC000032103939 175097428 /nfs/dbraw/zinc/09/74/28/175097428.db2.gz NHBGZWAUQOWDQJ-UHFFFAOYSA-N 1 1 248.370 2.399 10 0 BEAEMO COc1ccc(C[N@@H+](CCN)C2CCCC2)cc1 ZINC000032103939 175097430 /nfs/dbraw/zinc/09/74/30/175097430.db2.gz NHBGZWAUQOWDQJ-UHFFFAOYSA-N 1 1 248.370 2.399 10 0 BEAEMO COc1ccc(Cl)cc1-c1cnc(C[NH3+])o1 ZINC000036164171 175119915 /nfs/dbraw/zinc/11/99/15/175119915.db2.gz WHRHLIOBXKDPEK-UHFFFAOYSA-N 1 1 238.674 2.462 10 0 BEAEMO COc1ccc(F)cc1Cc1cc[nH+]c(N)c1 ZINC000082344844 175131393 /nfs/dbraw/zinc/13/13/93/175131393.db2.gz CNJRKDZGVHWFLX-UHFFFAOYSA-N 1 1 232.258 2.402 10 0 BEAEMO COc1ccc(NCc2cnc(C)[nH]2)cc1F ZINC000054821614 175151234 /nfs/dbraw/zinc/15/12/34/175151234.db2.gz BDOBCYODFOCXIZ-UHFFFAOYSA-N 1 1 235.262 2.478 10 0 BEAEMO COc1ccc(NCCn2cc[nH+]c2C)cc1F ZINC000049330072 175151490 /nfs/dbraw/zinc/15/14/90/175151490.db2.gz YGSBLGSLNQQSPD-UHFFFAOYSA-N 1 1 249.289 2.451 10 0 BEAEMO COc1ccc(N[C@H]2CC[N@@H+](C)C2)cc1C ZINC000061989630 175155332 /nfs/dbraw/zinc/15/53/32/175155332.db2.gz FQXDUQRZAPUOAF-LBPRGKRZSA-N 1 1 220.316 2.120 10 0 BEAEMO COc1ccc(OC)c(-c2cnc([C@@H](C)[NH3+])o2)c1 ZINC000011587081 175163619 /nfs/dbraw/zinc/16/36/19/175163619.db2.gz UXIDDUVCXJRELB-MRVPVSSYSA-N 1 1 248.282 2.379 10 0 BEAEMO COc1ccc(OC)c([C@@H]2[NH2+]CCS2)c1 ZINC000058615295 175168113 /nfs/dbraw/zinc/16/81/13/175168113.db2.gz ZBWSPOFLBKHVLD-LLVKDONJSA-N 1 1 225.313 2.039 10 0 BEAEMO COc1ccc([C@@H](CN)[N@H+](C)C(C)C)cc1F ZINC000077386335 175178610 /nfs/dbraw/zinc/17/86/10/175178610.db2.gz LRFKJBRKPXUTKM-GFCCVEGCSA-N 1 1 240.322 2.174 10 0 BEAEMO COc1ccc([C@@H](CN)[N@@H+](C)C(C)C)cc1F ZINC000077386335 175178612 /nfs/dbraw/zinc/17/86/12/175178612.db2.gz LRFKJBRKPXUTKM-GFCCVEGCSA-N 1 1 240.322 2.174 10 0 BEAEMO COc1ccc([C@@H](N)C[N@@H+](C)CC2CC2)cc1 ZINC000037925420 175179989 /nfs/dbraw/zinc/17/99/89/175179989.db2.gz RGWMSZIZSCKGKH-AWEZNQCLSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccc([C@@H]([NH3+])CN(C)CC2CC2)cc1 ZINC000037925420 175179990 /nfs/dbraw/zinc/17/99/90/175179990.db2.gz RGWMSZIZSCKGKH-AWEZNQCLSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccc([C@@H]([C@H](C)N)[NH+]2CCCC2)cc1 ZINC000042960003 175181628 /nfs/dbraw/zinc/18/16/28/175181628.db2.gz QSBOOVHAANSDJY-SMDDNHRTSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1ccc([C@H]([NH3+])CN2CCC(C)CC2)cc1 ZINC000019821428 175191978 /nfs/dbraw/zinc/19/19/78/175191978.db2.gz LAVYQPVLGRRLNQ-OAHLLOKOSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1ccc2cc([C@H](CN)[NH+](C)C)ccc2c1 ZINC000019255873 175224649 /nfs/dbraw/zinc/22/46/49/175224649.db2.gz LXOUQZLCFHTHHK-HNNXBMFYSA-N 1 1 244.338 2.410 10 0 BEAEMO COc1ccc2nc(S[C@@H](C)C[NH3+])[nH]c2c1 ZINC000043514679 175228642 /nfs/dbraw/zinc/22/86/42/175228642.db2.gz RCQXUONOCBTVKS-ZETCQYMHSA-N 1 1 237.328 2.011 10 0 BEAEMO COc1cccc([C@H](C)N2CCC([NH3+])CC2)c1 ZINC000020521467 175292778 /nfs/dbraw/zinc/29/27/78/175292778.db2.gz OPGVSVMPPZVDQK-NSHDSACASA-N 1 1 234.343 2.179 10 0 BEAEMO COc1ccccc1C[N@@H+](C)C[C@@H]1CCCC1=O ZINC000053929408 175324949 /nfs/dbraw/zinc/32/49/49/175324949.db2.gz UKOXRJVYOBCAKO-LBPRGKRZSA-N 1 1 247.338 2.496 10 0 BEAEMO COc1ccccc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000036102853 175325642 /nfs/dbraw/zinc/32/56/42/175325642.db2.gz YCIREIJVARIFSF-LBPRGKRZSA-N 1 1 237.343 2.286 10 0 BEAEMO COc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000049801466 175325938 /nfs/dbraw/zinc/32/59/38/175325938.db2.gz PKBBTFXERYDXMT-CQSZACIVSA-N 1 1 249.354 2.432 10 0 BEAEMO COc1ccccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052762113 175326997 /nfs/dbraw/zinc/32/69/97/175326997.db2.gz HCQNDWNFTYKVDQ-CQSZACIVSA-N 1 1 249.354 2.432 10 0 BEAEMO COc1ccccc1[C@@H](N)C[N@H+]1CCC[C@H](C)C1 ZINC000036878858 175347109 /nfs/dbraw/zinc/34/71/09/175347109.db2.gz UTBJSFFCQBRZOO-JSGCOSHPSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1ccccc1[C@@H]([NH3+])CN1CCC[C@H](C)C1 ZINC000036878858 175347111 /nfs/dbraw/zinc/34/71/11/175347111.db2.gz UTBJSFFCQBRZOO-JSGCOSHPSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1ccccc1[C@@H](N)C[N@@H+](C)CC(C)C ZINC000037108346 175347405 /nfs/dbraw/zinc/34/74/05/175347405.db2.gz FSSKDXJMNXOQOU-ZDUSSCGKSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1ccccc1[C@@H](N)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000036785242 175347892 /nfs/dbraw/zinc/34/78/92/175347892.db2.gz IHWYLLROIQHUDN-FZMZJTMJSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@H](C)[NH2+]Cc1cncnc1 ZINC000054767028 175351976 /nfs/dbraw/zinc/35/19/76/175351976.db2.gz VIYQUJGYAGJAQB-NSHDSACASA-N 1 1 243.310 2.336 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@H+](C)C[C@H]1C[C@H]1C ZINC000111765790 175353031 /nfs/dbraw/zinc/35/30/31/175353031.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 1 1 248.370 2.283 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@@H+](C)C[C@H]1C[C@H]1C ZINC000111765790 175353033 /nfs/dbraw/zinc/35/30/33/175353033.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 1 1 248.370 2.283 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@H+](C)CC(C)C ZINC000020225779 175353288 /nfs/dbraw/zinc/35/32/88/175353288.db2.gz VLNQZHKYQWABKS-ZDUSSCGKSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@@H+](C)CC(C)C ZINC000020225779 175353289 /nfs/dbraw/zinc/35/32/89/175353289.db2.gz VLNQZHKYQWABKS-ZDUSSCGKSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@H+](C)[C@H](C)C1CC1 ZINC000036783336 175353469 /nfs/dbraw/zinc/35/34/69/175353469.db2.gz RJGFVKPZARZQMG-RISCZKNCSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@@H+](C)[C@H](C)C1CC1 ZINC000036783336 175353471 /nfs/dbraw/zinc/35/34/71/175353471.db2.gz RJGFVKPZARZQMG-RISCZKNCSA-N 1 1 248.370 2.425 10 0 BEAEMO CSCC[C@H]([NH3+])C(=O)OCCCC(C)C ZINC000038524955 175507846 /nfs/dbraw/zinc/50/78/46/175507846.db2.gz HBSHVJBMWNHRFY-JTQLQIEISA-N 1 1 233.377 2.046 10 0 BEAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc[nH]n1 ZINC000037906578 175897962 /nfs/dbraw/zinc/89/79/62/175897962.db2.gz LOYACLSIBYADDC-SECBINFHSA-N 1 1 219.263 2.400 10 0 BEAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)C1CCN(C)CC1 ZINC000042288412 176015000 /nfs/dbraw/zinc/01/50/00/176015000.db2.gz YHVADVXWNVVMHP-LBPRGKRZSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1ccc(N)cc1)[N@H+](C)CCCN(C)C ZINC000104196889 176015736 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BEAEMO CCC1CCC2(CC1)[C@H](N)CC[N@@H+]2CC ZINC000685955367 538900727 /nfs/dbraw/zinc/90/07/27/538900727.db2.gz YLFRVGKAOOKGHD-OTTFEQOBSA-N 1 1 210.365 2.378 10 0 BEAEMO CCC1CCC2(CC1)[C@H](N)CC[N@H+]2CC ZINC000685955367 538900729 /nfs/dbraw/zinc/90/07/29/538900729.db2.gz YLFRVGKAOOKGHD-OTTFEQOBSA-N 1 1 210.365 2.378 10 0 BEAEMO CC[NH2+]CC(F)(F)COCCSCC ZINC000685956392 538902356 /nfs/dbraw/zinc/90/23/56/538902356.db2.gz AJJOLBJTTUCOTO-UHFFFAOYSA-N 1 1 227.320 2.001 10 0 BEAEMO C[NH2+]CC(F)(F)CO[C@@H]1CC[C@H](C)C1 ZINC000685956430 538902992 /nfs/dbraw/zinc/90/29/92/538902992.db2.gz DLQLIZDVAWPLLJ-DTWKUNHWSA-N 1 1 207.264 2.046 10 0 BEAEMO CCCCOCC(F)(F)C[NH2+]CCC ZINC000685958075 538905648 /nfs/dbraw/zinc/90/56/48/538905648.db2.gz NSGDHKZEVOZMDW-UHFFFAOYSA-N 1 1 209.280 2.438 10 0 BEAEMO CC[NH2+]Cc1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685958695 538906441 /nfs/dbraw/zinc/90/64/41/538906441.db2.gz DSANXKOUDDVOFJ-UHFFFAOYSA-N 1 1 242.537 2.346 10 0 BEAEMO CC[C@@H](C)C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961406 538908740 /nfs/dbraw/zinc/90/87/40/538908740.db2.gz HPZTZJKEQFPDGX-TZMCWYRMSA-N 1 1 248.370 2.061 10 0 BEAEMO CC[C@@H](C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961406 538908743 /nfs/dbraw/zinc/90/87/43/538908743.db2.gz HPZTZJKEQFPDGX-TZMCWYRMSA-N 1 1 248.370 2.061 10 0 BEAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)C(C)(C)C ZINC000685961444 538908773 /nfs/dbraw/zinc/90/87/73/538908773.db2.gz IIAXDBRXSKMBLK-ZDUSSCGKSA-N 1 1 248.370 2.061 10 0 BEAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)C(C)(C)C ZINC000685961444 538908776 /nfs/dbraw/zinc/90/87/76/538908776.db2.gz IIAXDBRXSKMBLK-ZDUSSCGKSA-N 1 1 248.370 2.061 10 0 BEAEMO CCC[N@@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685952585 538896454 /nfs/dbraw/zinc/89/64/54/538896454.db2.gz AOOYVXKQBRWLNU-SNVBAGLBSA-N 1 1 232.318 2.378 10 0 BEAEMO CCC[N@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685952585 538896455 /nfs/dbraw/zinc/89/64/55/538896455.db2.gz AOOYVXKQBRWLNU-SNVBAGLBSA-N 1 1 232.318 2.378 10 0 BEAEMO CCCN1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685952585 538896456 /nfs/dbraw/zinc/89/64/56/538896456.db2.gz AOOYVXKQBRWLNU-SNVBAGLBSA-N 1 1 232.318 2.378 10 0 BEAEMO CC[N@@H+]1CC[C@H](N)C12C[C@H](C)C[C@@H](C)C2 ZINC000685953106 538897298 /nfs/dbraw/zinc/89/72/98/538897298.db2.gz GBUWERBLNYSNPA-UTUOFQBUSA-N 1 1 210.365 2.234 10 0 BEAEMO CC[N@H+]1CC[C@H](N)C12C[C@H](C)C[C@@H](C)C2 ZINC000685953106 538897299 /nfs/dbraw/zinc/89/72/99/538897299.db2.gz GBUWERBLNYSNPA-UTUOFQBUSA-N 1 1 210.365 2.234 10 0 BEAEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616598047 398145740 /nfs/dbraw/zinc/14/57/40/398145740.db2.gz MRKXZEQPFVHPQK-LBPRGKRZSA-N 1 1 249.358 2.056 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2cccc3nnccc32)C1 ZINC000616611910 349474867 /nfs/dbraw/zinc/47/48/67/349474867.db2.gz WOPFDUCESUFAEM-LLVKDONJSA-N 1 1 227.311 2.439 10 0 BEAEMO OCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161599960 349484346 /nfs/dbraw/zinc/48/43/46/349484346.db2.gz BZFSVVBUJKLRFT-LLVKDONJSA-N 1 1 223.291 2.030 10 0 BEAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1C ZINC000062571017 187323705 /nfs/dbraw/zinc/32/37/05/187323705.db2.gz VBXVSCNNXICGAT-QWHCGFSZSA-N 1 1 212.381 2.351 10 0 BEAEMO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C ZINC000062571017 187323707 /nfs/dbraw/zinc/32/37/07/187323707.db2.gz VBXVSCNNXICGAT-QWHCGFSZSA-N 1 1 212.381 2.351 10 0 BEAEMO Cc1cc(C[N@@H+]2CCc3c(N)cccc3C2)on1 ZINC000038032910 178004062 /nfs/dbraw/zinc/00/40/62/178004062.db2.gz OKIFOCFFOAFCJK-UHFFFAOYSA-N 1 1 243.310 2.124 10 0 BEAEMO Cc1cc(C[N@H+]2CCc3c(N)cccc3C2)on1 ZINC000038032910 178004063 /nfs/dbraw/zinc/00/40/63/178004063.db2.gz OKIFOCFFOAFCJK-UHFFFAOYSA-N 1 1 243.310 2.124 10 0 BEAEMO Cc1cc(C[NH2+]Cc2nccs2)c(C)n1C ZINC000052790437 178029375 /nfs/dbraw/zinc/02/93/75/178029375.db2.gz GKUFAAPGKOZJNG-UHFFFAOYSA-N 1 1 235.356 2.388 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616617199 398180412 /nfs/dbraw/zinc/18/04/12/398180412.db2.gz MWZVQRWICNGAGH-CYBMUJFWSA-N 1 1 227.311 2.439 10 0 BEAEMO Cc1cnc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)s1 ZINC000386253346 398202841 /nfs/dbraw/zinc/20/28/41/398202841.db2.gz SFRHTISLCRBCIT-QWRGUYRKSA-N 1 1 239.388 2.196 10 0 BEAEMO Cc1cnc([C@H](C)NC[C@@H]2CCC[N@H+]2C)s1 ZINC000386253346 398202845 /nfs/dbraw/zinc/20/28/45/398202845.db2.gz SFRHTISLCRBCIT-QWRGUYRKSA-N 1 1 239.388 2.196 10 0 BEAEMO Cc1cnc([C@@H](C)NC[C@@H]2CCC[N@@H+]2C)s1 ZINC000386253345 398202855 /nfs/dbraw/zinc/20/28/55/398202855.db2.gz SFRHTISLCRBCIT-MNOVXSKESA-N 1 1 239.388 2.196 10 0 BEAEMO Cc1cnc([C@@H](C)NC[C@@H]2CCC[N@H+]2C)s1 ZINC000386253345 398202857 /nfs/dbraw/zinc/20/28/57/398202857.db2.gz SFRHTISLCRBCIT-MNOVXSKESA-N 1 1 239.388 2.196 10 0 BEAEMO C[N@@H+](CCc1ccncc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000386559541 398213498 /nfs/dbraw/zinc/21/34/98/398213498.db2.gz VFMSSSNZJDYWCH-HUUCEWRRSA-N 1 1 248.370 2.107 10 0 BEAEMO Cc1cc(NC2(CO)CCC(C)CC2)nc(C)[nH+]1 ZINC000053109859 178152452 /nfs/dbraw/zinc/15/24/52/178152452.db2.gz HZUOGCXMYMVNHO-UHFFFAOYSA-N 1 1 249.358 2.447 10 0 BEAEMO Cc1cc(NCCc2ccc[nH]2)nc(C)[nH+]1 ZINC000133776586 178162752 /nfs/dbraw/zinc/16/27/52/178162752.db2.gz OFSGVCZKJOCTRY-UHFFFAOYSA-N 1 1 216.288 2.076 10 0 BEAEMO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CCC1=O ZINC000251798261 187331022 /nfs/dbraw/zinc/33/10/22/187331022.db2.gz NUQKFGFHNWXGHD-KWCYVHTRSA-N 1 1 229.323 2.453 10 0 BEAEMO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CCC1=O ZINC000251798261 187331023 /nfs/dbraw/zinc/33/10/23/187331023.db2.gz NUQKFGFHNWXGHD-KWCYVHTRSA-N 1 1 229.323 2.453 10 0 BEAEMO C[N@@H+](Cc1cscn1)C[C@@H]1CCC[C@H](O)C1 ZINC000381116515 398221118 /nfs/dbraw/zinc/22/11/18/398221118.db2.gz HINIRJZINHGIKE-PWSUYJOCSA-N 1 1 240.372 2.126 10 0 BEAEMO C[N@H+](Cc1cscn1)C[C@@H]1CCC[C@H](O)C1 ZINC000381116515 398221121 /nfs/dbraw/zinc/22/11/21/398221121.db2.gz HINIRJZINHGIKE-PWSUYJOCSA-N 1 1 240.372 2.126 10 0 BEAEMO Cc1cc(N[C@H]2CCC[C@]2(C)CO)nc(C)[nH+]1 ZINC000301432748 178190580 /nfs/dbraw/zinc/19/05/80/178190580.db2.gz GLKXUKLDRBNYOL-WCQYABFASA-N 1 1 235.331 2.056 10 0 BEAEMO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]23)ccc1N ZINC000049564625 178190805 /nfs/dbraw/zinc/19/08/05/178190805.db2.gz RJAVKSWWZJLIEZ-UONOGXRCSA-N 1 1 231.343 2.226 10 0 BEAEMO CCC[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696357 259302562 /nfs/dbraw/zinc/30/25/62/259302562.db2.gz WGVPJGOYCWNLBP-RYUDHWBXSA-N 1 1 221.348 2.398 10 0 BEAEMO CC1(C)CNCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381585509 398254163 /nfs/dbraw/zinc/25/41/63/398254163.db2.gz CMPHVQGHSMXBDJ-NSHDSACASA-N 1 1 246.345 2.496 10 0 BEAEMO CC1(C)CNCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381585509 398254168 /nfs/dbraw/zinc/25/41/68/398254168.db2.gz CMPHVQGHSMXBDJ-NSHDSACASA-N 1 1 246.345 2.496 10 0 BEAEMO Cc1ccc(-c2n[nH]c3c2C[N@@H+](C)CC3)cc1 ZINC000028022542 178316756 /nfs/dbraw/zinc/31/67/56/178316756.db2.gz VCSQYSFKBXAEFY-UHFFFAOYSA-N 1 1 227.311 2.373 10 0 BEAEMO Cc1ccc(/C=C\c2noc(C[NH3+])n2)cc1 ZINC000073640988 178358013 /nfs/dbraw/zinc/35/80/13/178358013.db2.gz HXPYERPXNQNNFE-SREVYHEPSA-N 1 1 215.256 2.007 10 0 BEAEMO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000381600478 398266299 /nfs/dbraw/zinc/26/62/99/398266299.db2.gz GHSQGFFJBANONJ-GHMZBOCLSA-N 1 1 232.318 2.106 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCN1 ZINC000381600478 398266302 /nfs/dbraw/zinc/26/63/02/398266302.db2.gz GHSQGFFJBANONJ-GHMZBOCLSA-N 1 1 232.318 2.106 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@@H](CN)C(C)(C)C ZINC000042614993 168373551 /nfs/dbraw/zinc/37/35/51/168373551.db2.gz FMXAKVHLCMZMDC-ZDUSSCGKSA-N 1 1 244.423 2.497 10 0 BEAEMO C[N@@H+]1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616589367 349559048 /nfs/dbraw/zinc/55/90/48/349559048.db2.gz YYSVFSHGDGTTJA-AWEZNQCLSA-N 1 1 225.295 2.054 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616589367 349559051 /nfs/dbraw/zinc/55/90/51/349559051.db2.gz YYSVFSHGDGTTJA-AWEZNQCLSA-N 1 1 225.295 2.054 10 0 BEAEMO CCC(CC)[N@H+](CCOC)C[C@@H]([NH3+])[C@H](C)CC ZINC000042681729 168374043 /nfs/dbraw/zinc/37/40/43/168374043.db2.gz WLQAXXKLRPTPLT-TZMCWYRMSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)C[C@@H](N)[C@H](C)CC ZINC000042681729 168374044 /nfs/dbraw/zinc/37/40/44/168374044.db2.gz WLQAXXKLRPTPLT-TZMCWYRMSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)[N@H+](CCOC)C[C@@H](N)[C@H](C)CC ZINC000042681729 168374045 /nfs/dbraw/zinc/37/40/45/168374045.db2.gz WLQAXXKLRPTPLT-TZMCWYRMSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)N(CCOC)C[C@@H]([NH3+])[C@H](C)CC ZINC000042681729 168374046 /nfs/dbraw/zinc/37/40/46/168374046.db2.gz WLQAXXKLRPTPLT-TZMCWYRMSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)C1(CN)CCCC1 ZINC000042615122 168374801 /nfs/dbraw/zinc/37/48/01/168374801.db2.gz VOVVHLSAOUQYBK-UHFFFAOYSA-N 1 1 242.407 2.395 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@@H]1CCCC[C@@H]1N ZINC000042616016 168375181 /nfs/dbraw/zinc/37/51/81/168375181.db2.gz WPGVJAISNFLIGV-UONOGXRCSA-N 1 1 242.407 2.393 10 0 BEAEMO CCC(CC)N(CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042616016 168375186 /nfs/dbraw/zinc/37/51/86/168375186.db2.gz WPGVJAISNFLIGV-UONOGXRCSA-N 1 1 242.407 2.393 10 0 BEAEMO CC[N@H+]1CC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616613113 349600547 /nfs/dbraw/zinc/60/05/47/349600547.db2.gz MMACEGNQZQVGDX-CYBMUJFWSA-N 1 1 227.311 2.439 10 0 BEAEMO Cc1cccc(C[N@H+]2CCCNC(=O)[C@@H]2C)c1C ZINC000189097792 346858219 /nfs/dbraw/zinc/85/82/19/346858219.db2.gz FDMGSKVFDZVRFI-ZDUSSCGKSA-N 1 1 246.354 2.014 10 0 BEAEMO C[C@H]1CCC[N@H+]1[C@@H]1Cc2ccc(O)cc2C1 ZINC000148651910 342791835 /nfs/dbraw/zinc/79/18/35/342791835.db2.gz IVUPHSONVWIOPG-GXFFZTMASA-N 1 1 217.312 2.344 10 0 BEAEMO Cc1cnc([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)o1 ZINC000634582371 342798168 /nfs/dbraw/zinc/79/81/68/342798168.db2.gz QNXMCABZZROOLE-WDEREUQCSA-N 1 1 238.331 2.449 10 0 BEAEMO CC(C)[N@@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576459 398289386 /nfs/dbraw/zinc/28/93/86/398289386.db2.gz STHSREAKTDKTMW-ZDUSSCGKSA-N 1 1 219.328 2.029 10 0 BEAEMO Cc1ccc([C@@H]2[NH2+]CCc3occc32)nc1 ZINC000709938725 539027833 /nfs/dbraw/zinc/02/78/33/539027833.db2.gz NWLIWYHCXIDWCB-CYBMUJFWSA-N 1 1 214.268 2.218 10 0 BEAEMO Cn1cccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979364 398304246 /nfs/dbraw/zinc/30/42/46/398304246.db2.gz GFFHVKIIEUQWBM-KBPBESRZSA-N 1 1 234.343 2.169 10 0 BEAEMO C[C@H]1OCC[C@H]1[N@H+](C)Cc1cnc(Cl)s1 ZINC000134674626 342876208 /nfs/dbraw/zinc/87/62/08/342876208.db2.gz VBTUOVCLVJKDCQ-VXNVDRBHSA-N 1 1 246.763 2.406 10 0 BEAEMO C[C@H]1OCC[C@H]1[N@@H+](C)Cc1cnc(Cl)s1 ZINC000134674626 342876209 /nfs/dbraw/zinc/87/62/09/342876209.db2.gz VBTUOVCLVJKDCQ-VXNVDRBHSA-N 1 1 246.763 2.406 10 0 BEAEMO C[N@@H+](Cc1nc2ccccc2o1)C(C)(C)CO ZINC000134847123 342901681 /nfs/dbraw/zinc/90/16/81/342901681.db2.gz WZOMMTMMLCEROO-UHFFFAOYSA-N 1 1 234.299 2.031 10 0 BEAEMO CCC(CC)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158837178 398341562 /nfs/dbraw/zinc/34/15/62/398341562.db2.gz JTMQCCDPGLUWAN-WCQYABFASA-N 1 1 240.391 2.268 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000335598242 398341788 /nfs/dbraw/zinc/34/17/88/398341788.db2.gz VSNDFPRJNZWEPE-PWSUYJOCSA-N 1 1 246.310 2.173 10 0 BEAEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000335598217 398341821 /nfs/dbraw/zinc/34/18/21/398341821.db2.gz VSNDFPRJNZWEPE-CMPLNLGQSA-N 1 1 246.310 2.173 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1ccncc1 ZINC000175361106 346895432 /nfs/dbraw/zinc/89/54/32/346895432.db2.gz ZMPFXCMACYJLOW-OAHLLOKOSA-N 1 1 247.386 2.040 10 0 BEAEMO CCc1ccccc1CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361866 529584463 /nfs/dbraw/zinc/58/44/63/529584463.db2.gz NXVSNTISVZKCFV-OCCSQVGLSA-N 1 1 232.371 2.337 10 0 BEAEMO CCc1ccc(CN[C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400765508 529654327 /nfs/dbraw/zinc/65/43/27/529654327.db2.gz ZCTUKFAUXRWUQC-QWRGUYRKSA-N 1 1 238.400 2.398 10 0 BEAEMO Cc1nccc(C[NH2+]Cc2ccccc2F)n1 ZINC000037997713 187229903 /nfs/dbraw/zinc/22/99/03/187229903.db2.gz VLYISDAPBNHSBG-UHFFFAOYSA-N 1 1 231.274 2.214 10 0 BEAEMO CNc1c(N)c[nH+]c2cc(F)c(Cl)cc21 ZINC000584882303 343084621 /nfs/dbraw/zinc/08/46/21/343084621.db2.gz AWCMQROZVXMPLZ-UHFFFAOYSA-N 1 1 225.654 2.073 10 0 BEAEMO CCNc1c(N)c[nH+]c2c(OC)cc(OC)cc12 ZINC000584882826 343085531 /nfs/dbraw/zinc/08/55/31/343085531.db2.gz UWRLVUZWHZWJRJ-UHFFFAOYSA-N 1 1 247.298 2.266 10 0 BEAEMO N[C@H](C[NH3+])CC1=Cc2c(Cl)cccc2CC1 ZINC000141263147 343090722 /nfs/dbraw/zinc/09/07/22/343090722.db2.gz FVZGZMMVAJIXCC-NSHDSACASA-N 1 1 236.746 2.346 10 0 BEAEMO CC(C)(C)c1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000071534907 362007578 /nfs/dbraw/zinc/00/75/78/362007578.db2.gz TVXINOQPAUENGI-UHFFFAOYSA-N 1 1 230.315 2.228 10 0 BEAEMO C[C@@H](C(N)=S)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043514421 343116530 /nfs/dbraw/zinc/11/65/30/343116530.db2.gz SNEBMEIBHVUGFG-KXUCPTDWSA-N 1 1 214.378 2.172 10 0 BEAEMO [NH3+]CCCNCc1cc(Cl)cc(Cl)c1 ZINC000037713879 343144401 /nfs/dbraw/zinc/14/44/01/343144401.db2.gz RMZRUFXPUSGZHK-UHFFFAOYSA-N 1 1 233.142 2.432 10 0 BEAEMO CCCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162577684 136277492 /nfs/dbraw/zinc/27/74/92/136277492.db2.gz OTHIFCGYRCOGHL-UHFFFAOYSA-N 1 1 249.358 2.001 10 0 BEAEMO C[N@@H+]1CC=C(Cc2ccc(O)cc2)CC1 ZINC000238360614 343255830 /nfs/dbraw/zinc/25/58/30/343255830.db2.gz RAHTYEFRBBUIAT-UHFFFAOYSA-N 1 1 203.285 2.197 10 0 BEAEMO Cc1ccc(OCC[C@@](C)(CN)[NH+](C)C)cc1 ZINC000019667660 187252769 /nfs/dbraw/zinc/25/27/69/187252769.db2.gz WJEKHBCQOXBHCZ-AWEZNQCLSA-N 1 1 236.359 2.043 10 0 BEAEMO CC(C)C[C@H](CN)[N@@H+]1CCc2ccccc2C1 ZINC000022166758 187254880 /nfs/dbraw/zinc/25/48/80/187254880.db2.gz UHXHWZNDRWCFMS-OAHLLOKOSA-N 1 1 232.371 2.418 10 0 BEAEMO CC(C)C[C@H](CN)[N@H+]1CCc2ccccc2C1 ZINC000022166758 187254882 /nfs/dbraw/zinc/25/48/82/187254882.db2.gz UHXHWZNDRWCFMS-OAHLLOKOSA-N 1 1 232.371 2.418 10 0 BEAEMO C[N@@H+](CC1CC1)[C@H]1CCCCCC[C@@H]1N ZINC000037925467 187253849 /nfs/dbraw/zinc/25/38/49/187253849.db2.gz BLBRCVVIXPNEMW-STQMWFEESA-N 1 1 210.365 2.378 10 0 BEAEMO CN(CC1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000037925467 187253850 /nfs/dbraw/zinc/25/38/50/187253850.db2.gz BLBRCVVIXPNEMW-STQMWFEESA-N 1 1 210.365 2.378 10 0 BEAEMO OC1(CC[N@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000335678491 136319460 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/nfs/dbraw/zinc/46/39/66/361463966.db2.gz SVTQFGVSHBOYMR-ZDUSSCGKSA-N 1 1 204.317 2.044 10 0 BEAEMO CCC[N@H+]1CCc2[nH]c(=S)sc2C1 ZINC000070598308 361581456 /nfs/dbraw/zinc/58/14/56/361581456.db2.gz NCOMJZPYBCNUGZ-UHFFFAOYSA-N 1 1 214.359 2.200 10 0 BEAEMO COC(=O)[C@H]([NH3+])Cc1c(Cl)cccc1Cl ZINC000070651415 361696805 /nfs/dbraw/zinc/69/68/05/361696805.db2.gz LNAADEXHHFBIMR-SECBINFHSA-N 1 1 248.109 2.036 10 0 BEAEMO NC(=S)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000070663589 361707684 /nfs/dbraw/zinc/70/76/84/361707684.db2.gz IWDZVHRSDWROAK-GFCCVEGCSA-N 1 1 234.368 2.185 10 0 BEAEMO Cc1cc(C)cc([C@H]2C[C@@H]([NH3+])CCN2C)c1 ZINC000074081418 541312953 /nfs/dbraw/zinc/31/29/53/541312953.db2.gz IOSQOEUPJUENIE-UONOGXRCSA-N 1 1 218.344 2.397 10 0 BEAEMO CO[C@@H]1C[N@H+](C[C@H](C)CC(C)C)[C@@](C)(CN)C1 ZINC000630370010 364088174 /nfs/dbraw/zinc/08/81/74/364088174.db2.gz YJAYDCHHHZHORS-HZSPNIEDSA-N 1 1 242.407 2.107 10 0 BEAEMO CO[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)[C@@](C)(CN)C1 ZINC000630370010 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KSTUPLXYCRJGQN-AWEZNQCLSA-N 1 1 241.375 2.040 10 0 BEAEMO OCCC[C@H]1CCC[N@H+]1CCCCCF ZINC000336662665 183064793 /nfs/dbraw/zinc/06/47/93/183064793.db2.gz COUATEIMBUTRGN-GFCCVEGCSA-N 1 1 217.328 2.363 10 0 BEAEMO CCCC[C@H](CN)[N@@H+]1CCC[C@H](OCCC)C1 ZINC000042421217 169002634 /nfs/dbraw/zinc/00/26/34/169002634.db2.gz FZQKGDZYWACAOX-KGLIPLIRSA-N 1 1 242.407 2.395 10 0 BEAEMO CCCC[C@H](CN)[N@H+]1CCC[C@H](OCCC)C1 ZINC000042421217 169002635 /nfs/dbraw/zinc/00/26/35/169002635.db2.gz FZQKGDZYWACAOX-KGLIPLIRSA-N 1 1 242.407 2.395 10 0 BEAEMO OC[C@@H]1CCCC[N@@H+](Cc2ccccc2F)C1 ZINC000374051015 183116229 /nfs/dbraw/zinc/11/62/29/183116229.db2.gz NVTRZAOTHNLJGR-GFCCVEGCSA-N 1 1 237.318 2.420 10 0 BEAEMO OC[C@H](Nc1cc[nH+]cc1Cl)c1ccco1 ZINC000301595378 183142720 /nfs/dbraw/zinc/14/27/20/183142720.db2.gz YWZJXKKNNYYBHA-JTQLQIEISA-N 1 1 238.674 2.474 10 0 BEAEMO OC[C@H]1CCCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000374054689 183147433 /nfs/dbraw/zinc/14/74/33/183147433.db2.gz ZRBZIEVYXWPYMQ-STQMWFEESA-N 1 1 209.333 2.190 10 0 BEAEMO OC[C@H]1CCCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000367738739 183147629 /nfs/dbraw/zinc/14/76/29/183147629.db2.gz UPPHTDDIEGWAMM-DZGCQCFKSA-N 1 1 245.366 2.421 10 0 BEAEMO O[C@@H]1CC[N@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645431 183200534 /nfs/dbraw/zinc/20/05/34/183200534.db2.gz VYNNWWZBPKXCNX-RBSFLKMASA-N 1 1 231.339 2.389 10 0 BEAEMO CCC[N@H+](C)[C@@H](CN)c1ccc(OCC)cc1 ZINC000020226248 169087053 /nfs/dbraw/zinc/08/70/53/169087053.db2.gz AHKVLIKWRYLQOI-AWEZNQCLSA-N 1 1 236.359 2.427 10 0 BEAEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(OCC)cc1 ZINC000020226248 169087054 /nfs/dbraw/zinc/08/70/54/169087054.db2.gz AHKVLIKWRYLQOI-AWEZNQCLSA-N 1 1 236.359 2.427 10 0 BEAEMO CCC[N@H+](C/C=C\c1ccccc1OC)CCO ZINC000005870665 169090624 /nfs/dbraw/zinc/09/06/24/169090624.db2.gz YRFDGJPOYVTSQM-VURMDHGXSA-N 1 1 249.354 2.413 10 0 BEAEMO CCC[N@H+](C1CCCC1)C1CCNCC1 ZINC000037469596 169092031 /nfs/dbraw/zinc/09/20/31/169092031.db2.gz GRSCPKZSPOGMRH-UHFFFAOYSA-N 1 1 210.365 2.393 10 0 BEAEMO CCC[N@@H+](C1CCCC1)C1CCNCC1 ZINC000037469596 169092032 /nfs/dbraw/zinc/09/20/32/169092032.db2.gz GRSCPKZSPOGMRH-UHFFFAOYSA-N 1 1 210.365 2.393 10 0 BEAEMO O[C@H]1CCCC[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000028232207 183231773 /nfs/dbraw/zinc/23/17/73/183231773.db2.gz TYFVIIFOPODLOW-GJZGRUSLSA-N 1 1 231.339 2.348 10 0 BEAEMO O[C@H]1CCCC[C@@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000270544783 183231890 /nfs/dbraw/zinc/23/18/90/183231890.db2.gz SBISLWQYZAWJBQ-GJZGRUSLSA-N 1 1 249.329 2.487 10 0 BEAEMO O[C@H]1CCCC[C@H]1[N@H+]1CCc2ccc(F)cc2C1 ZINC000270544780 183232406 /nfs/dbraw/zinc/23/24/06/183232406.db2.gz SBISLWQYZAWJBQ-CABCVRRESA-N 1 1 249.329 2.487 10 0 BEAEMO CCC[N@@H+](CC(C)C)[C@](C)(CC)CN ZINC000050092168 169107486 /nfs/dbraw/zinc/10/74/86/169107486.db2.gz XEBKQWWNSDZBRX-GFCCVEGCSA-N 1 1 200.370 2.482 10 0 BEAEMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000037094464 169132682 /nfs/dbraw/zinc/13/26/82/169132682.db2.gz QSDIZJTYOPFVNG-LLVKDONJSA-N 1 1 249.358 2.328 10 0 BEAEMO CCC[N@@H+](C[C@@H](N)CC(C)C)CC1CC1 ZINC000042491173 169138481 /nfs/dbraw/zinc/13/84/81/169138481.db2.gz KQTKIUKWZJOHSA-ZDUSSCGKSA-N 1 1 212.381 2.482 10 0 BEAEMO CCCN(C[C@@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491173 169138482 /nfs/dbraw/zinc/13/84/82/169138482.db2.gz KQTKIUKWZJOHSA-ZDUSSCGKSA-N 1 1 212.381 2.482 10 0 BEAEMO CCCN(CCC)C[C@@H]([NH3+])[C@H](C)CC ZINC000039141053 169147258 /nfs/dbraw/zinc/14/72/58/169147258.db2.gz YJLWEGPFWMDFOF-VXGBXAGGSA-N 1 1 200.370 2.482 10 0 BEAEMO CCC[N@@H+](C[C@H](O)c1cccc(N)c1)C(C)C ZINC000051326101 169173228 /nfs/dbraw/zinc/17/32/28/169173228.db2.gz WXQBBEREXUYGQA-AWEZNQCLSA-N 1 1 236.359 2.423 10 0 BEAEMO CCC[N@H+](CCN)Cc1ccc(CC)cc1 ZINC000032013792 169157831 /nfs/dbraw/zinc/15/78/31/169157831.db2.gz LZMRJMQGEAEKQI-UHFFFAOYSA-N 1 1 220.360 2.420 10 0 BEAEMO CCC[N@@H+](CCN)Cc1ccc(CC)cc1 ZINC000032013792 169157833 /nfs/dbraw/zinc/15/78/33/169157833.db2.gz LZMRJMQGEAEKQI-UHFFFAOYSA-N 1 1 220.360 2.420 10 0 BEAEMO c1cc(-c2noc(C[NH+]3CCCCC3)n2)co1 ZINC000105607335 183333243 /nfs/dbraw/zinc/33/32/43/183333243.db2.gz WNJLFACMFKYRSM-UHFFFAOYSA-N 1 1 233.271 2.316 10 0 BEAEMO CCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178330120 169200108 /nfs/dbraw/zinc/20/01/08/169200108.db2.gz BVEARDKCZNMTGI-LBPRGKRZSA-N 1 1 207.321 2.066 10 0 BEAEMO CCC[N@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000136866130 169202024 /nfs/dbraw/zinc/20/20/24/169202024.db2.gz GAXMORXVWSKSBO-OAHLLOKOSA-N 1 1 244.338 2.382 10 0 BEAEMO CCC[N@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000328454650 169206725 /nfs/dbraw/zinc/20/67/25/169206725.db2.gz DZWRJTQPYQPHBB-CQSZACIVSA-N 1 1 237.318 2.215 10 0 BEAEMO c1cc2c([C@@H]3CCC[NH2+]C3)[nH]ccc-2n1 ZINC000074211611 183363364 /nfs/dbraw/zinc/36/33/64/183363364.db2.gz MWCMLSIEMSZLRK-SECBINFHSA-N 1 1 201.273 2.030 10 0 BEAEMO c1cc2[nH]c(CC[C@@H]3CCCC[NH2+]3)nc2cn1 ZINC000071166679 183377295 /nfs/dbraw/zinc/37/72/95/183377295.db2.gz HLXMRSRUJIIZRI-JTQLQIEISA-N 1 1 230.315 2.033 10 0 BEAEMO c1cc2nc(CC[C@@H]3CCCC[NH2+]3)nc-2c[nH]1 ZINC000071166679 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CC[C@@H]1C[N@H+](Cc2ccc(N)c(C)c2)CCN1C ZINC000104355866 171089181 /nfs/dbraw/zinc/08/91/81/171089181.db2.gz AJSGKQITPFJCNV-CQSZACIVSA-N 1 1 247.386 2.103 10 0 BEAEMO CC[C@@H]1C[N@@H+](Cc2ccc(N)c(C)c2)CCN1C ZINC000104355866 171089183 /nfs/dbraw/zinc/08/91/83/171089183.db2.gz AJSGKQITPFJCNV-CQSZACIVSA-N 1 1 247.386 2.103 10 0 BEAEMO CC[C@@H]1CN[C@H](C(C)C)C[N@H+]1CC(C)C ZINC000068695126 171100833 /nfs/dbraw/zinc/10/08/33/171100833.db2.gz NASAYLRDCBETSW-OLZOCXBDSA-N 1 1 212.381 2.351 10 0 BEAEMO CC[C@@H]1CNCC[N@H+]1[C@@H]1CCCC[C@@H]1C ZINC000083086518 171101206 /nfs/dbraw/zinc/10/12/06/171101206.db2.gz MZMIKOWSYRPFQN-YNEHKIRRSA-N 1 1 210.365 2.249 10 0 BEAEMO CC[C@@H]1CN[C@@H](C(C)C)C[N@H+]1C(C)(C)C ZINC000083084990 171101284 /nfs/dbraw/zinc/10/12/84/171101284.db2.gz GAIOBBAIHFBYPR-VXGBXAGGSA-N 1 1 212.381 2.493 10 0 BEAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(CC)(CC)CO ZINC000051295432 171110537 /nfs/dbraw/zinc/11/05/37/171110537.db2.gz GNEHJWDCVCXBFJ-QWHCGFSZSA-N 1 1 243.391 2.284 10 0 BEAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1N ZINC000036797846 171110572 /nfs/dbraw/zinc/11/05/72/171110572.db2.gz DFAUDVDZBJUTPV-WCQYABFASA-N 1 1 234.343 2.268 10 0 BEAEMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1N ZINC000036797842 171113883 /nfs/dbraw/zinc/11/38/83/171113883.db2.gz DFAUDVDZBJUTPV-DGCLKSJQSA-N 1 1 234.343 2.268 10 0 BEAEMO CC[C@@](C)(C[NH3+])CN1CCc2sccc2C1 ZINC000051210743 171166149 /nfs/dbraw/zinc/16/61/49/171166149.db2.gz GAGSZOQJYLYWDA-ZDUSSCGKSA-N 1 1 238.400 2.481 10 0 BEAEMO CC[C@@](C)(C[NH2+]CC(C)C)CN(C)CCOC ZINC000051258908 171167060 /nfs/dbraw/zinc/16/70/60/171167060.db2.gz XNWZPWUTVDLODL-AWEZNQCLSA-N 1 1 244.423 2.227 10 0 BEAEMO CC[C@H](C)C[N@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000120454239 171280545 /nfs/dbraw/zinc/28/05/45/171280545.db2.gz UNAROKAXRGNYBB-KBPBESRZSA-N 1 1 242.407 2.075 10 0 BEAEMO CC[C@H](C)[N@@H+](C)[C@@H](CN)c1ccc(OC)cc1 ZINC000037109755 171309470 /nfs/dbraw/zinc/30/94/70/171309470.db2.gz WIUNGHBUTYJDGG-FZMZJTMJSA-N 1 1 236.359 2.425 10 0 BEAEMO CC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000037109755 171309471 /nfs/dbraw/zinc/30/94/71/171309471.db2.gz WIUNGHBUTYJDGG-FZMZJTMJSA-N 1 1 236.359 2.425 10 0 BEAEMO CC[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124348754 171317847 /nfs/dbraw/zinc/31/78/47/171317847.db2.gz PGDCSRFHPHSELS-RVMXOQNASA-N 1 1 211.349 2.410 10 0 BEAEMO CC[C@H](C)[N@H+]1C[C@@H](C(C)C)NC[C@H]1CC ZINC000083085099 171319887 /nfs/dbraw/zinc/31/98/87/171319887.db2.gz PWWBEEJNRJZIRS-XQQFMLRXSA-N 1 1 212.381 2.493 10 0 BEAEMO C[C@H]1C[C@H](CN[C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000665239789 412179603 /nfs/dbraw/zinc/17/96/03/412179603.db2.gz ZGCXYWOZSVRBJP-LOWDOPEQSA-N 1 1 210.365 2.010 10 0 BEAEMO CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1 ZINC000119394294 171699522 /nfs/dbraw/zinc/69/95/22/171699522.db2.gz QOIKLZDMBPAHMH-ZDUSSCGKSA-N 1 1 207.317 2.279 10 0 BEAEMO CCc1nc([C@@H]([NH3+])c2cc(C)cc(C)c2)no1 ZINC000049808750 172003899 /nfs/dbraw/zinc/00/38/99/172003899.db2.gz MVGHAHVFUSCFEH-LBPRGKRZSA-N 1 1 231.299 2.297 10 0 BEAEMO CCc1nn(C)c(Cl)c1C[N@@H+](C)CC ZINC000126252047 172037639 /nfs/dbraw/zinc/03/76/39/172037639.db2.gz IZHFONKJOVKRAY-UHFFFAOYSA-N 1 1 215.728 2.088 10 0 BEAEMO CCc1nn(C)c(Cl)c1C[N@H+](C)CC ZINC000126252047 172037641 /nfs/dbraw/zinc/03/76/41/172037641.db2.gz IZHFONKJOVKRAY-UHFFFAOYSA-N 1 1 215.728 2.088 10 0 BEAEMO CCn1c(C)nnc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000108864117 172139072 /nfs/dbraw/zinc/13/90/72/172139072.db2.gz HFUDZAWWOWBGGT-PHIMTYICSA-N 1 1 236.363 2.369 10 0 BEAEMO CCn1cccc1CNC1CC[NH+](C2CC2)CC1 ZINC000091025166 172207198 /nfs/dbraw/zinc/20/71/98/172207198.db2.gz XGXGRQXUWNHKRB-UHFFFAOYSA-N 1 1 247.386 2.224 10 0 BEAEMO CCn1cc[nH+]c1N1CCc2c(N)cccc2C1 ZINC000050614373 172225633 /nfs/dbraw/zinc/22/56/33/172225633.db2.gz JRTZUMXLQOURMZ-UHFFFAOYSA-N 1 1 242.326 2.048 10 0 BEAEMO CCn1ccnc1[C@@H]([NH3+])c1ccccc1F ZINC000011735731 172229392 /nfs/dbraw/zinc/22/93/92/172229392.db2.gz WNFTYYPTXZPMSA-NSHDSACASA-N 1 1 219.263 2.090 10 0 BEAEMO CCn1c[nH+]c(-c2ccccc2F)c1N ZINC000104900914 172230746 /nfs/dbraw/zinc/23/07/46/172230746.db2.gz ZCCGLTGUDSDBIC-UHFFFAOYSA-N 1 1 205.236 2.291 10 0 BEAEMO CCn1ccnc1[C@H]([NH2+]C)c1ccsc1 ZINC000041048701 172230793 /nfs/dbraw/zinc/23/07/93/172230793.db2.gz MQZZLXRQCDHMOJ-SNVBAGLBSA-N 1 1 221.329 2.273 10 0 BEAEMO CCn1nccc1C[NH2+][C@H]1COc2ccccc21 ZINC000119090641 172272781 /nfs/dbraw/zinc/27/27/81/172272781.db2.gz HGBWMNDIQZZQAF-ZDUSSCGKSA-N 1 1 243.310 2.126 10 0 BEAEMO C[NH+]1CCC(n2c(N)nc3cccc(F)c32)CC1 ZINC000075947928 173001375 /nfs/dbraw/zinc/00/13/75/173001375.db2.gz QZBXAICNKIUSCQ-UHFFFAOYSA-N 1 1 248.305 2.024 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1CNc1cccc(N)c1 ZINC000044563744 173005927 /nfs/dbraw/zinc/00/59/27/173005927.db2.gz YNUPMPKQTZNCDU-CYBMUJFWSA-N 1 1 219.332 2.165 10 0 BEAEMO C[N@H+]1CCCN(c2ccc(Cl)cc2N)CC1 ZINC000020217458 173018254 /nfs/dbraw/zinc/01/82/54/173018254.db2.gz ILBKFOIXCCHGJM-UHFFFAOYSA-N 1 1 239.750 2.064 10 0 BEAEMO C[N@H+]1CCC[C@H](n2ccc3cccnc32)C1 ZINC000090505000 173048753 /nfs/dbraw/zinc/04/87/53/173048753.db2.gz MFSOUDARVZQLKG-LBPRGKRZSA-N 1 1 215.300 2.303 10 0 BEAEMO C[N@H+]1CCC[C@H]1COc1cccc(F)c1 ZINC000026387348 173057644 /nfs/dbraw/zinc/05/76/44/173057644.db2.gz YMSPBBGEZQILFC-NSHDSACASA-N 1 1 209.264 2.299 10 0 BEAEMO C[N@@H+]1CCC[C@H]2CN(CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058043 /nfs/dbraw/zinc/05/80/43/173058043.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 1 1 246.345 2.448 10 0 BEAEMO C[N@H+]1CCC[C@H]2CN(CCC(C)(F)F)CC[C@H]21 ZINC000336203760 173058045 /nfs/dbraw/zinc/05/80/45/173058045.db2.gz PGPJLFCSSHKVMW-NWDGAFQWSA-N 1 1 246.345 2.448 10 0 BEAEMO C[NH+]1CCN(C(=N)c2cc3ccccc3o2)CC1 ZINC000062995667 173065227 /nfs/dbraw/zinc/06/52/27/173065227.db2.gz OSYYERAFRCNYAR-UHFFFAOYSA-N 1 1 243.310 2.006 10 0 BEAEMO C[N@H+]1CCOCC12C1CC3CC(C1)CC2C3 ZINC000026987381 173097974 /nfs/dbraw/zinc/09/79/74/173097974.db2.gz QUHRYIAHSALUPF-UHFFFAOYSA-N 1 1 221.344 2.143 10 0 BEAEMO C[N@@H+]1CCO[C@@H](c2cccc3[nH]ccc32)C1 ZINC000039407474 173102083 /nfs/dbraw/zinc/10/20/83/173102083.db2.gz RDGILZNSARRJLX-CYBMUJFWSA-N 1 1 216.284 2.171 10 0 BEAEMO C[N@H+]1CCO[C@@H](c2cccc3[nH]ccc32)C1 ZINC000039407474 173102084 /nfs/dbraw/zinc/10/20/84/173102084.db2.gz RDGILZNSARRJLX-CYBMUJFWSA-N 1 1 216.284 2.171 10 0 BEAEMO C[N@H+]1CCS[C@H](c2cccc(O)c2)C1 ZINC000039316105 173110801 /nfs/dbraw/zinc/11/08/01/173110801.db2.gz AXSFOLPPBXFRJF-NSHDSACASA-N 1 1 209.314 2.112 10 0 BEAEMO C[N@@H+]1CC[C@@H](CNCc2cccc(Cl)c2)C1 ZINC000037484681 173116407 /nfs/dbraw/zinc/11/64/07/173116407.db2.gz FZSXLTDQEVQDQN-LBPRGKRZSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@@H](CNCc2cccc(Cl)c2)C1 ZINC000037484681 173116408 /nfs/dbraw/zinc/11/64/08/173116408.db2.gz FZSXLTDQEVQDQN-LBPRGKRZSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@@H](CNc2c(N)cccc2Cl)C1 ZINC000037484588 173117125 /nfs/dbraw/zinc/11/71/25/173117125.db2.gz ADDPNWODEQKBHE-VIFPVBQESA-N 1 1 239.750 2.286 10 0 BEAEMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000026143652 173128564 /nfs/dbraw/zinc/12/85/64/173128564.db2.gz MVNHJEXPDKVMJY-AAEUAGOBSA-N 1 1 239.746 2.368 10 0 BEAEMO C[N@H+]1CC[C@@H]2C[C@H]1Cc1ccc(O)cc12 ZINC000027108822 173133105 /nfs/dbraw/zinc/13/31/05/173133105.db2.gz JANBJBABWKFLQT-GHMZBOCLSA-N 1 1 203.285 2.126 10 0 BEAEMO C[N@@H+]1CC[C@H](CNCc2ccc(Cl)cc2)C1 ZINC000037484573 173146953 /nfs/dbraw/zinc/14/69/53/173146953.db2.gz IKVBNPRFNJYJAO-GFCCVEGCSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@H](CNCc2ccc(Cl)cc2)C1 ZINC000037484573 173146955 /nfs/dbraw/zinc/14/69/55/173146955.db2.gz IKVBNPRFNJYJAO-GFCCVEGCSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545179 173154376 /nfs/dbraw/zinc/15/43/76/173154376.db2.gz QOKYWDLDLLHNEH-VIFPVBQESA-N 1 1 225.723 2.038 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2c(F)cccc2F)C1 ZINC000061984923 173155048 /nfs/dbraw/zinc/15/50/48/173155048.db2.gz ITXJERRNDBRPRI-QMMMGPOBSA-N 1 1 212.243 2.081 10 0 BEAEMO C[N@@H+]1CCc2n[nH]c(-c3cccc(F)c3)c2C1 ZINC000082807626 173168808 /nfs/dbraw/zinc/16/88/08/173168808.db2.gz ABKUFOHGGVDEEB-UHFFFAOYSA-N 1 1 231.274 2.204 10 0 BEAEMO C[N@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000082807626 173168807 /nfs/dbraw/zinc/16/88/07/173168807.db2.gz ABKUFOHGGVDEEB-UHFFFAOYSA-N 1 1 231.274 2.204 10 0 BEAEMO C[N@H+]1CCc2n[nH]c(-c3cccc(F)c3)c2C1 ZINC000082807626 173168810 /nfs/dbraw/zinc/16/88/10/173168810.db2.gz ABKUFOHGGVDEEB-UHFFFAOYSA-N 1 1 231.274 2.204 10 0 BEAEMO C[NH2+]CC[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC000052541607 173357881 /nfs/dbraw/zinc/35/78/81/173357881.db2.gz ORZCPWRJHFGSIW-GFCCVEGCSA-N 1 1 236.359 2.125 10 0 BEAEMO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccsc2)C1 ZINC000061363906 173382016 /nfs/dbraw/zinc/38/20/16/173382016.db2.gz UTGXZZURKAMNBY-WDEREUQCSA-N 1 1 224.373 2.350 10 0 BEAEMO COC1(C[N@H+]2CC[C@H](CCO)C2)CCCCC1 ZINC000361550361 173996196 /nfs/dbraw/zinc/99/61/96/173996196.db2.gz FBOQSLMQVPJIQO-CYBMUJFWSA-N 1 1 241.375 2.040 10 0 BEAEMO COC1CCN([C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000037266053 174030146 /nfs/dbraw/zinc/03/01/46/174030146.db2.gz PTXWVEAOBUQVTJ-WFASDCNBSA-N 1 1 248.370 2.186 10 0 BEAEMO COCCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000117883815 174189698 /nfs/dbraw/zinc/18/96/98/174189698.db2.gz AVDKMNNTQPMZRL-ZDUSSCGKSA-N 1 1 237.347 2.363 10 0 BEAEMO COCCC[N@@H+](C)C[C@H](C)C(=O)c1ccccc1 ZINC000062035229 174218239 /nfs/dbraw/zinc/21/82/39/174218239.db2.gz HBFUELSRGWSHKX-ZDUSSCGKSA-N 1 1 249.354 2.474 10 0 BEAEMO COCCC[N@@H+](C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1O ZINC000062034311 174221131 /nfs/dbraw/zinc/22/11/31/174221131.db2.gz SKOPMDGKZQHLQF-BFHYXJOUSA-N 1 1 243.391 2.140 10 0 BEAEMO COCCCNCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000053439031 174246989 /nfs/dbraw/zinc/24/69/89/174246989.db2.gz QUVNCWCYDVFQFP-UONOGXRCSA-N 1 1 242.407 2.123 10 0 BEAEMO COCCCNCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000053439031 174246991 /nfs/dbraw/zinc/24/69/91/174246991.db2.gz QUVNCWCYDVFQFP-UONOGXRCSA-N 1 1 242.407 2.123 10 0 BEAEMO COCC[N@@H+](C)C[C@H](C)C(=O)c1ccccc1 ZINC000053936478 174279716 /nfs/dbraw/zinc/27/97/16/174279716.db2.gz VXEHWUOQSYQLBD-LBPRGKRZSA-N 1 1 235.327 2.084 10 0 BEAEMO COCC[N@H+](C1CC1)[C@@](C)(CN)CCC(C)C ZINC000042517893 174284674 /nfs/dbraw/zinc/28/46/74/174284674.db2.gz UWHWQOIWKRXBNB-CQSZACIVSA-N 1 1 242.407 2.251 10 0 BEAEMO COCC[N@@H+](C1CC1)[C@@](C)(CN)CCC(C)C ZINC000042517893 174284675 /nfs/dbraw/zinc/28/46/75/174284675.db2.gz UWHWQOIWKRXBNB-CQSZACIVSA-N 1 1 242.407 2.251 10 0 BEAEMO COCC[N@H+]([C@@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000042518140 174285154 /nfs/dbraw/zinc/28/51/54/174285154.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@@H+]([C@@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000042518140 174285155 /nfs/dbraw/zinc/28/51/55/174285155.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@@H+](C1CC1)[C@@]1(CN)CCCC[C@H]1C ZINC000042517899 174285541 /nfs/dbraw/zinc/28/55/41/174285541.db2.gz FEMBKSWMOJKWQO-TZMCWYRMSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@@H+](Cc1ccccc1N)C(C)C ZINC000035365792 174299142 /nfs/dbraw/zinc/29/91/42/174299142.db2.gz MIFFPUCQNMZZPK-UHFFFAOYSA-N 1 1 222.332 2.126 10 0 BEAEMO COCC[N@H+](Cc1ccccc1N)CC(C)C ZINC000042367188 174299743 /nfs/dbraw/zinc/29/97/43/174299743.db2.gz GTYUNYLHDXGVLN-UHFFFAOYSA-N 1 1 236.359 2.373 10 0 BEAEMO COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680790 174302554 /nfs/dbraw/zinc/30/25/54/174302554.db2.gz RHDGPCHZWQWBET-WCQYABFASA-N 1 1 239.359 2.245 10 0 BEAEMO COCC[N@@H+]([C@H](C)C1CC1)C1(CN)CCCC1 ZINC000042615438 174302644 /nfs/dbraw/zinc/30/26/44/174302644.db2.gz YSAZLOVEUJHCAJ-GFCCVEGCSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CCCC[C@@H]1O ZINC000042681142 174302696 /nfs/dbraw/zinc/30/26/96/174302696.db2.gz PWSRRKDBMQHPKK-YUTCNCBUSA-N 1 1 241.375 2.037 10 0 BEAEMO COCC[N@@H+]([C@H](C)C1CC1)[C@@H](CN)C(C)(C)C ZINC000042615271 174303112 /nfs/dbraw/zinc/30/31/12/174303112.db2.gz BPVIEIAHTJDFCH-YPMHNXCESA-N 1 1 242.407 2.107 10 0 BEAEMO COCC[N@@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062623358 174303744 /nfs/dbraw/zinc/30/37/44/174303744.db2.gz NIONGRJRSQTDPU-AWEZNQCLSA-N 1 1 248.370 2.058 10 0 BEAEMO COCC[N@H+]1CC(C)(C)NC[C@H]1c1ccccc1 ZINC000062623358 174303745 /nfs/dbraw/zinc/30/37/45/174303745.db2.gz NIONGRJRSQTDPU-AWEZNQCLSA-N 1 1 248.370 2.058 10 0 BEAEMO COCC[NH2+]CC(=O)c1ccc(C(C)C)cc1 ZINC000041611932 174332933 /nfs/dbraw/zinc/33/29/33/174332933.db2.gz DFDQJYPYUHFDDD-UHFFFAOYSA-N 1 1 235.327 2.229 10 0 BEAEMO COCc1cc(N)c2cccc(C)c2[nH+]1 ZINC000051698657 174620140 /nfs/dbraw/zinc/62/01/40/174620140.db2.gz JEMPQLNBWKJTRP-UHFFFAOYSA-N 1 1 202.257 2.272 10 0 BEAEMO COc1cc2cc[nH+]cc2c(OC)c1OC ZINC000029321795 175027625 /nfs/dbraw/zinc/02/76/25/175027625.db2.gz UPLOKTSIJATUTQ-UHFFFAOYSA-N 1 1 219.240 2.261 10 0 BEAEMO COc1ccc(-c2cnc([C@H](C)[NH3+])o2)c(OC)c1 ZINC000036171825 175036641 /nfs/dbraw/zinc/03/66/41/175036641.db2.gz QKBRKZRZHMDKNT-QMMMGPOBSA-N 1 1 248.282 2.379 10 0 BEAEMO COc1ccc(-c2cnc([C@H](C)[NH3+])o2)cc1OC ZINC000011587078 175036728 /nfs/dbraw/zinc/03/67/28/175036728.db2.gz RCMNPIXYISSQGW-QMMMGPOBSA-N 1 1 248.282 2.379 10 0 BEAEMO COc1ccc(C[N@H+](CCN)C(C)C)cc1C ZINC000076619643 175097498 /nfs/dbraw/zinc/09/74/98/175097498.db2.gz HATFQDWCOGFFNM-UHFFFAOYSA-N 1 1 236.359 2.173 10 0 BEAEMO COc1ccc(C[N@@H+](CCN)C(C)C)cc1C ZINC000076619643 175097500 /nfs/dbraw/zinc/09/75/00/175097500.db2.gz HATFQDWCOGFFNM-UHFFFAOYSA-N 1 1 236.359 2.173 10 0 BEAEMO COc1ccc(C[NH2+][C@@H](C)c2cc[nH]n2)cc1 ZINC000037906467 175109464 /nfs/dbraw/zinc/10/94/64/175109464.db2.gz TWARTGUVDIPXBE-JTQLQIEISA-N 1 1 231.299 2.269 10 0 BEAEMO COc1ccc(Cl)c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000061989672 175118810 /nfs/dbraw/zinc/11/88/10/175118810.db2.gz MFXNQILZKOWBLC-VIFPVBQESA-N 1 1 240.734 2.465 10 0 BEAEMO COc1ccc(Cl)cc1[C@@H]1COCC[NH2+]1 ZINC000041249014 175121875 /nfs/dbraw/zinc/12/18/75/175121875.db2.gz RGSHLTPYRAXOIG-JTQLQIEISA-N 1 1 227.691 2.010 10 0 BEAEMO COc1ccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000037208584 175153471 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/nfs/dbraw/zinc/26/77/02/344267702.db2.gz QWOLKQWGBWLPBO-OLZOCXBDSA-N 1 1 209.333 2.023 10 0 BEAEMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)c2ccco2)C1 ZINC000158063096 344363708 /nfs/dbraw/zinc/36/37/08/344363708.db2.gz VSHQLNQGZSCENQ-NXEZZACHSA-N 1 1 207.273 2.193 10 0 BEAEMO Cc1nnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1C ZINC000249774315 362388511 /nfs/dbraw/zinc/38/85/11/362388511.db2.gz VQQIBAYQQVUOPY-QWHCGFSZSA-N 1 1 248.374 2.278 10 0 BEAEMO C[C@@H](NCCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215031862 344415592 /nfs/dbraw/zinc/41/55/92/344415592.db2.gz SBMNZDBVNSNVFX-MRVPVSSYSA-N 1 1 230.714 2.479 10 0 BEAEMO CC(C)[C@H](C)[N@@H+](C)C1(CN)CCSCC1 ZINC000042335076 187291398 /nfs/dbraw/zinc/29/13/98/187291398.db2.gz WNEPBYUYTPKEJJ-NSHDSACASA-N 1 1 230.421 2.187 10 0 BEAEMO CC(C)CN1c2ccc(Cl)cc2[C@@H]([NH3+])C1=O ZINC000103951664 344451606 /nfs/dbraw/zinc/45/16/06/344451606.db2.gz YJCKQKVDLLOZTR-LLVKDONJSA-N 1 1 238.718 2.342 10 0 BEAEMO CCn1c(N)[nH+]c2c1cccc2Br ZINC000217061573 344469220 /nfs/dbraw/zinc/46/92/20/344469220.db2.gz LKDWICOQGUBNAX-UHFFFAOYSA-N 1 1 240.104 2.401 10 0 BEAEMO CCOC(C[C@@H]1CCC[N@@H+](C)C1)OCC ZINC000043503190 344524040 /nfs/dbraw/zinc/52/40/40/344524040.db2.gz LGWPJSUFWGBZCR-NSHDSACASA-N 1 1 215.337 2.117 10 0 BEAEMO COc1ccc(Cl)cc1C1(F)C[NH2+]C1 ZINC000158127054 344548972 /nfs/dbraw/zinc/54/89/72/344548972.db2.gz BAQQRKCRWSMJQR-UHFFFAOYSA-N 1 1 215.655 2.117 10 0 BEAEMO CN(C)CC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000715208984 537868023 /nfs/dbraw/zinc/86/80/23/537868023.db2.gz RBCIBWUOSNVAIA-GFCCVEGCSA-N 1 1 224.373 2.061 10 0 BEAEMO CC(=O)CC[N@@H+](C)Cc1ccccc1F ZINC000047979748 187294148 /nfs/dbraw/zinc/29/41/48/187294148.db2.gz SNRFBUNNYVZLQL-UHFFFAOYSA-N 1 1 209.264 2.237 10 0 BEAEMO CC(=O)CC[N@H+](C)Cc1ccccc1F ZINC000047979748 187294150 /nfs/dbraw/zinc/29/41/50/187294150.db2.gz SNRFBUNNYVZLQL-UHFFFAOYSA-N 1 1 209.264 2.237 10 0 BEAEMO CC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000238201107 344987891 /nfs/dbraw/zinc/98/78/91/344987891.db2.gz HMSBHOISTPZKEC-VIFPVBQESA-N 1 1 228.089 2.038 10 0 BEAEMO COC(=O)[C@@H]([NH3+])CC[C@@H](C)CC(C)(C)C ZINC000044327101 345022498 /nfs/dbraw/zinc/02/24/98/345022498.db2.gz RFHKATAMDPUENG-ZJUUUORDSA-N 1 1 215.337 2.339 10 0 BEAEMO Cc1nc([C@@H]2CCCN2c2cccc(C)[nH+]2)no1 ZINC000408311121 345113527 /nfs/dbraw/zinc/11/35/27/345113527.db2.gz XMNCWLOELRQLCX-NSHDSACASA-N 1 1 244.298 2.423 10 0 BEAEMO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccon1 ZINC000634965792 345138494 /nfs/dbraw/zinc/13/84/94/345138494.db2.gz TZUNFCOFKRXMML-LBPRGKRZSA-N 1 1 246.310 2.370 10 0 BEAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000156216385 345140168 /nfs/dbraw/zinc/14/01/68/345140168.db2.gz GGQBJRZBKONRQX-AWEZNQCLSA-N 1 1 248.374 2.017 10 0 BEAEMO CCO[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000053924347 1172059428 /nfs/dbraw/zinc/05/94/28/1172059428.db2.gz BMIRTLIIOALHQU-MJBXVCDLSA-N 1 1 241.375 2.038 10 0 BEAEMO CCOc1ccccc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000635000502 345202084 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/nfs/dbraw/zinc/02/86/69/179028669.db2.gz SNKWFPCAKNJKCX-VIFPVBQESA-N 1 1 217.272 2.373 10 0 BEAEMO OCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000161581820 346338762 /nfs/dbraw/zinc/33/87/62/346338762.db2.gz AUZSEVZDWOTDKX-ZDUSSCGKSA-N 1 1 211.349 2.271 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc(CO)cs2)C1 ZINC000669379425 537979083 /nfs/dbraw/zinc/97/90/83/537979083.db2.gz ATZNRXVQGXCCER-AOOOYVTPSA-N 1 1 240.372 2.113 10 0 BEAEMO [NH3+]C1(c2nc3cccc(Cl)c3o2)CC1 ZINC000160458928 346453980 /nfs/dbraw/zinc/45/39/80/346453980.db2.gz OMDSTEWQUCFWRL-UHFFFAOYSA-N 1 1 208.648 2.429 10 0 BEAEMO CC1(C)C[N@@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1O ZINC000334271236 346457803 /nfs/dbraw/zinc/45/78/03/346457803.db2.gz GSNKFUUTGKPPNF-JSGCOSHPSA-N 1 1 231.339 2.029 10 0 BEAEMO [NH3+]C1(C(=O)c2sccc2Cl)CC1 ZINC000229957286 346481780 /nfs/dbraw/zinc/48/17/80/346481780.db2.gz ZTRMTZATJSKSMN-UHFFFAOYSA-N 1 1 201.678 2.076 10 0 BEAEMO C1CC([C@H]2COCC[N@H+](C3CCC3)C2)C1 ZINC000336516482 187369319 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/nfs/dbraw/zinc/21/22/55/347212255.db2.gz GKSICERYUXFYML-AWEZNQCLSA-N 1 1 218.344 2.385 10 0 BEAEMO Cc1cccc([C@@H](CN)[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910421 179184878 /nfs/dbraw/zinc/18/48/78/179184878.db2.gz AXVDIQUVRUZWFX-GXTWGEPZSA-N 1 1 218.344 2.479 10 0 BEAEMO Cc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2C)c1 ZINC000037910421 179184880 /nfs/dbraw/zinc/18/48/80/179184880.db2.gz AXVDIQUVRUZWFX-GXTWGEPZSA-N 1 1 218.344 2.479 10 0 BEAEMO Cc1cccc([C@@H]([NH3+])c2noc(C3CC3)n2)c1 ZINC000036764253 179185871 /nfs/dbraw/zinc/18/58/71/179185871.db2.gz NHHDEZGXZMSFGI-LLVKDONJSA-N 1 1 229.283 2.304 10 0 BEAEMO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCCC2)c1 ZINC000042965333 179188586 /nfs/dbraw/zinc/18/85/86/179188586.db2.gz UUKCLRCTMQHDLJ-TZMCWYRMSA-N 1 1 218.344 2.479 10 0 BEAEMO CCCC[C@H](CC)C[N@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310141058 347237414 /nfs/dbraw/zinc/23/74/14/347237414.db2.gz NBDMMKRYQWZJHV-IHRRRGAJSA-N 1 1 243.391 2.284 10 0 BEAEMO CCCC[C@H](CC)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000310141059 347237436 /nfs/dbraw/zinc/23/74/36/347237436.db2.gz NBDMMKRYQWZJHV-MELADBBJSA-N 1 1 243.391 2.284 10 0 BEAEMO CC(C)[C@@](C)(O)C[N@H+]1CCCC2(CC2)C1 ZINC000187567856 347258829 /nfs/dbraw/zinc/25/88/29/347258829.db2.gz ZOYGZCPXRFABJP-LBPRGKRZSA-N 1 1 211.349 2.269 10 0 BEAEMO Cc1cccc([C@H](CN)[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910422 179198294 /nfs/dbraw/zinc/19/82/94/179198294.db2.gz AXVDIQUVRUZWFX-JSGCOSHPSA-N 1 1 218.344 2.479 10 0 BEAEMO Cc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C)c1 ZINC000037910422 179198295 /nfs/dbraw/zinc/19/82/95/179198295.db2.gz AXVDIQUVRUZWFX-JSGCOSHPSA-N 1 1 218.344 2.479 10 0 BEAEMO Cc1cccc2c1OCCC[C@@H]2NCCC[NH3+] ZINC000037713835 179220677 /nfs/dbraw/zinc/22/06/77/179220677.db2.gz BWBPPLQLMTXHFH-ZDUSSCGKSA-N 1 1 234.343 2.147 10 0 BEAEMO Cc1cnc([C@@H]([NH3+])c2ccccc2)s1 ZINC000036761879 347451254 /nfs/dbraw/zinc/45/12/54/347451254.db2.gz NUZFQMYLFJXUJE-JTQLQIEISA-N 1 1 204.298 2.500 10 0 BEAEMO c1ccc(C[N@H+]2CCC[C@@]3(C2)NCCS3)cc1 ZINC000159130271 347479808 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DSOKJAIHGONLGB-OGOUPESXSA-N 1 1 239.750 2.408 10 0 BEAEMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCCCCC1 ZINC000104293056 180271292 /nfs/dbraw/zinc/27/12/92/180271292.db2.gz NJXVWMUJYNRSEX-NSHDSACASA-N 1 1 235.331 2.155 10 0 BEAEMO Cc1[nH+]cn([C@H]2Cc3ccccc3[C@H]2O)c1C ZINC000051927896 180289537 /nfs/dbraw/zinc/28/95/37/180289537.db2.gz YXPXYDNEAZVGAM-UONOGXRCSA-N 1 1 228.295 2.331 10 0 BEAEMO C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000409424851 350475632 /nfs/dbraw/zinc/47/56/32/350475632.db2.gz YWJVYHINTULTFB-GXTWGEPZSA-N 1 1 219.328 2.074 10 0 BEAEMO CC(C)[N@H+]1CCO[C@@H](c2ccccn2)CC1 ZINC000616593716 350584128 /nfs/dbraw/zinc/58/41/28/350584128.db2.gz LBARIZRYEBILJV-CYBMUJFWSA-N 1 1 220.316 2.253 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccnnc2)CC1 ZINC000616594292 350593160 /nfs/dbraw/zinc/59/31/60/350593160.db2.gz FAALZKONHHEJAW-GFCCVEGCSA-N 1 1 235.331 2.039 10 0 BEAEMO CC[N@H+]1CCO[C@@H](c2ccccc2OC)CC1 ZINC000616595245 350606879 /nfs/dbraw/zinc/60/68/79/350606879.db2.gz 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C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363078 386940391 /nfs/dbraw/zinc/94/03/91/386940391.db2.gz DAMLPWXQCNKISQ-DTWKUNHWSA-N 1 1 248.248 2.046 10 0 BEAEMO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363096 386940850 /nfs/dbraw/zinc/94/08/50/386940850.db2.gz DAMLPWXQCNKISQ-RKDXNWHRSA-N 1 1 248.248 2.046 10 0 BEAEMO Cn1cc([C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000116310035 386941793 /nfs/dbraw/zinc/94/17/93/386941793.db2.gz IWPWXPWEPLBCSW-CYBMUJFWSA-N 1 1 233.359 2.400 10 0 BEAEMO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccccn1 ZINC000358363080 386942005 /nfs/dbraw/zinc/94/20/05/386942005.db2.gz DAMLPWXQCNKISQ-IUCAKERBSA-N 1 1 248.248 2.046 10 0 BEAEMO OC[C@H]1Cc2occc2C[N@@H+]1Cc1cccs1 ZINC000575407873 387007349 /nfs/dbraw/zinc/00/73/49/387007349.db2.gz BIQUOJNTLWSQIB-LLVKDONJSA-N 1 1 249.335 2.260 10 0 BEAEMO OC[C@H]1Cc2occc2C[N@H+]1Cc1cccs1 ZINC000575407873 387007355 /nfs/dbraw/zinc/00/73/55/387007355.db2.gz BIQUOJNTLWSQIB-LLVKDONJSA-N 1 1 249.335 2.260 10 0 BEAEMO C[C@@H](C(N)=O)[NH+]1CCC(c2nccs2)CC1 ZINC000334898304 386970978 /nfs/dbraw/zinc/97/09/78/386970978.db2.gz CJOTUEIWZJUXPK-QMMMGPOBSA-N 1 1 239.344 2.246 10 0 BEAEMO C(C[N@H+]1C[C@H]2CCCCC[C@@H]21)C1OCCO1 ZINC000368437825 386974856 /nfs/dbraw/zinc/97/48/56/386974856.db2.gz XCHBIBZUOKFMJT-NEPJUHHUSA-N 1 1 225.332 2.014 10 0 BEAEMO OC[C@@H]1Cc2occc2C[N@@H+]1Cc1cccs1 ZINC000575407874 387008148 /nfs/dbraw/zinc/00/81/48/387008148.db2.gz BIQUOJNTLWSQIB-NSHDSACASA-N 1 1 249.335 2.260 10 0 BEAEMO OC[C@@H]1Cc2occc2C[N@H+]1Cc1cccs1 ZINC000575407874 387008153 /nfs/dbraw/zinc/00/81/53/387008153.db2.gz BIQUOJNTLWSQIB-NSHDSACASA-N 1 1 249.335 2.260 10 0 BEAEMO O[C@@H]1CC[C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@H]2C1 ZINC000398756161 386984661 /nfs/dbraw/zinc/98/46/61/386984661.db2.gz YVEZXUFUVLWBBN-YIYPIFLZSA-N 1 1 221.344 2.188 10 0 BEAEMO CC(C)(C)OC(=O)[C@H]1CCCc2c[nH+]cn21 ZINC000575419784 387030680 /nfs/dbraw/zinc/03/06/80/387030680.db2.gz YUECRCGGGOESPJ-SNVBAGLBSA-N 1 1 222.288 2.102 10 0 BEAEMO C[C@@H]1C[NH2+][C@H](c2cncc(Cl)c2)S1 ZINC000575576253 387021721 /nfs/dbraw/zinc/02/17/21/387021721.db2.gz LNFWOJRBDXOZPB-MUWHJKNJSA-N 1 1 214.721 2.459 10 0 BEAEMO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccco2)C1 ZINC000228275977 387086535 /nfs/dbraw/zinc/08/65/35/387086535.db2.gz OIVJWASEHOGFHN-WCQYABFASA-N 1 1 222.332 2.098 10 0 BEAEMO C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)CO ZINC000127231352 387099674 /nfs/dbraw/zinc/09/96/74/387099674.db2.gz XHJHMXOLRUWIDE-NXEZZACHSA-N 1 1 233.315 2.002 10 0 BEAEMO CC[N@@H+](C[C@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211400 387109282 /nfs/dbraw/zinc/10/92/82/387109282.db2.gz CLUZNUINGHEWTA-RYUDHWBXSA-N 1 1 249.420 2.034 10 0 BEAEMO CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211269 387109471 /nfs/dbraw/zinc/10/94/71/387109471.db2.gz CLUZNUINGHEWTA-NEPJUHHUSA-N 1 1 249.420 2.034 10 0 BEAEMO C[C@@H]1C[C@@H](c2ccccc2)C[C@H](O)[N@H+]1C ZINC000536949854 387160611 /nfs/dbraw/zinc/16/06/11/387160611.db2.gz GMAAEVUSVBNALE-RTXFEEFZSA-N 1 1 205.301 2.203 10 0 BEAEMO CC(C)[NH2+]Cc1ncsc1Br ZINC000575481753 387178576 /nfs/dbraw/zinc/17/85/76/387178576.db2.gz COWSORPHMRPLDK-UHFFFAOYSA-N 1 1 235.150 2.404 10 0 BEAEMO CC(C)(C)c1nc(C[NH2+]C2(CO)CC2)cs1 ZINC000120356068 387232453 /nfs/dbraw/zinc/23/24/53/387232453.db2.gz OGMIZZCUBFZICL-UHFFFAOYSA-N 1 1 240.372 2.055 10 0 BEAEMO COC(=O)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000353897760 387291954 /nfs/dbraw/zinc/29/19/54/387291954.db2.gz JIZVZVURQVZJIK-GXTWGEPZSA-N 1 1 245.322 2.458 10 0 BEAEMO C[C@@H]1C[C@]2(CC(=O)CO2)C[N@H+]1Cc1ccccc1 ZINC000575500834 387348147 /nfs/dbraw/zinc/34/81/47/387348147.db2.gz XQLUEJIOSCQJQY-DOMZBBRYSA-N 1 1 245.322 2.009 10 0 BEAEMO c1ccc(O[C@H]2COCC[N@H+](C3CCC3)C2)cc1 ZINC000077265829 387450274 /nfs/dbraw/zinc/45/02/74/387450274.db2.gz QSDWUWOYZQJXKC-OAHLLOKOSA-N 1 1 247.338 2.319 10 0 biogenic BEAEMO CC(=O)CC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106211800 387526211 /nfs/dbraw/zinc/52/62/11/387526211.db2.gz ALVOVUBWVAQRQL-CYBMUJFWSA-N 1 1 249.358 2.153 10 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CC[C@@H](C)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000122679667 387575486 /nfs/dbraw/zinc/57/54/86/387575486.db2.gz CNXYEIMDAGECST-OLZOCXBDSA-N 1 1 212.381 2.449 10 0 BEAEMO CC[C@@H](C)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000122679667 387575491 /nfs/dbraw/zinc/57/54/91/387575491.db2.gz CNXYEIMDAGECST-OLZOCXBDSA-N 1 1 212.381 2.449 10 0 BEAEMO CCOC[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000044725892 387692958 /nfs/dbraw/zinc/69/29/58/387692958.db2.gz XIMAICZWVMLEAK-VIFPVBQESA-N 1 1 219.288 2.400 10 0 BEAEMO C[C@H]1C[NH2+][C@H](c2ccncc2Cl)S1 ZINC000575554598 387693594 /nfs/dbraw/zinc/69/35/94/387693594.db2.gz GCFTXJRDSLTEJX-RCOVLWMOSA-N 1 1 214.721 2.459 10 0 BEAEMO Cc1csc(C[N@H+]2CCCC[C@@H](CO)C2)n1 ZINC000378125160 387765415 /nfs/dbraw/zinc/76/54/15/387765415.db2.gz GQJGPRXNKYZWLE-LLVKDONJSA-N 1 1 240.372 2.046 10 0 BEAEMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(N)c1 ZINC000052731598 387806755 /nfs/dbraw/zinc/80/67/55/387806755.db2.gz IZPRKQHCZBXREW-UHFFFAOYSA-N 1 1 245.301 2.435 10 0 BEAEMO Cc1ncc(C[N@H+]2CCC[C@H]2CCCO)s1 ZINC000062337300 387853897 /nfs/dbraw/zinc/85/38/97/387853897.db2.gz PYWKIBSICADPAH-NSHDSACASA-N 1 1 240.372 2.188 10 0 BEAEMO C[C@H](c1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193607314 387857328 /nfs/dbraw/zinc/85/73/28/387857328.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 1 1 248.345 2.380 10 0 BEAEMO C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193607314 387857332 /nfs/dbraw/zinc/85/73/32/387857332.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 1 1 248.345 2.380 10 0 BEAEMO C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193607314 387857337 /nfs/dbraw/zinc/85/73/37/387857337.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 1 1 248.345 2.380 10 0 BEAEMO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2C)[nH]1 ZINC000293128038 387858639 /nfs/dbraw/zinc/85/86/39/387858639.db2.gz LDDUXMIZLBALFC-JTQLQIEISA-N 1 1 230.315 2.272 10 0 BEAEMO CCc1nnc(C[N@H+]([C@@H](C)C2CC2)C2CC2)n1C ZINC000195068088 387902913 /nfs/dbraw/zinc/90/29/13/387902913.db2.gz JUQRWLLBSFABNV-JTQLQIEISA-N 1 1 248.374 2.140 10 0 BEAEMO CCc1nnc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)n1C ZINC000195068088 387902918 /nfs/dbraw/zinc/90/29/18/387902918.db2.gz JUQRWLLBSFABNV-JTQLQIEISA-N 1 1 248.374 2.140 10 0 BEAEMO Cc1csc([C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000195441148 387917013 /nfs/dbraw/zinc/91/70/13/387917013.db2.gz MHQGQNKEILKEFH-LLVKDONJSA-N 1 1 240.372 2.013 10 0 BEAEMO Cc1cccc([C@@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000423167017 387950943 /nfs/dbraw/zinc/95/09/43/387950943.db2.gz RSXGHKPQPWSXEQ-VXGBXAGGSA-N 1 1 218.344 2.254 10 0 BEAEMO COCCCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245872900 387989373 /nfs/dbraw/zinc/98/93/73/387989373.db2.gz XCCGVGOTAFCVGT-KGLIPLIRSA-N 1 1 241.375 2.447 10 0 BEAEMO c1ccc(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)nc1 ZINC000246028625 388003046 /nfs/dbraw/zinc/00/30/46/388003046.db2.gz RNVZRGUMPYXETN-HUUCEWRRSA-N 1 1 246.354 2.268 10 0 BEAEMO c1ccc(CC[N@H+]2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000246028620 388003068 /nfs/dbraw/zinc/00/30/68/388003068.db2.gz RNVZRGUMPYXETN-CABCVRRESA-N 1 1 246.354 2.268 10 0 BEAEMO C1=C(CN2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000645828808 388040805 /nfs/dbraw/zinc/04/08/05/388040805.db2.gz AYEBEUVOUCRUNN-CQSZACIVSA-N 1 1 220.360 2.267 10 0 BEAEMO C1=C(C[N@@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000645828808 388040809 /nfs/dbraw/zinc/04/08/09/388040809.db2.gz AYEBEUVOUCRUNN-CQSZACIVSA-N 1 1 220.360 2.267 10 0 BEAEMO C1=C(C[N@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000645828808 388040813 /nfs/dbraw/zinc/04/08/13/388040813.db2.gz AYEBEUVOUCRUNN-CQSZACIVSA-N 1 1 220.360 2.267 10 0 BEAEMO c1ncn([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246282165 388028073 /nfs/dbraw/zinc/02/80/73/388028073.db2.gz SQOSOKJVZSZJFB-CHWSQXEVSA-N 1 1 232.331 2.024 10 0 BEAEMO CC[C@H](C)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246309914 388030598 /nfs/dbraw/zinc/03/05/98/388030598.db2.gz WDNPOXDAPZBVTM-QWHCGFSZSA-N 1 1 236.363 2.036 10 0 BEAEMO C[C@H](CC(=O)NCc1cnc[nH]1)C(C)(C)C ZINC000084081757 388070843 /nfs/dbraw/zinc/07/08/43/388070843.db2.gz SDDBSULWJHVSMB-SECBINFHSA-N 1 1 223.320 2.098 10 0 BEAEMO Cn1c(C[N@H+](C)C2CCCCC2)nnc1C1CC1 ZINC000195007726 388082442 /nfs/dbraw/zinc/08/24/42/388082442.db2.gz SMSFDUIFPRINEA-UHFFFAOYSA-N 1 1 248.374 2.457 10 0 BEAEMO Cn1c(C[N@@H+](C)C2CCCCC2)nnc1C1CC1 ZINC000195007726 388082445 /nfs/dbraw/zinc/08/24/45/388082445.db2.gz SMSFDUIFPRINEA-UHFFFAOYSA-N 1 1 248.374 2.457 10 0 BEAEMO COc1cccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400318384 388112168 /nfs/dbraw/zinc/11/21/68/388112168.db2.gz AJIYBSGSXVMUEG-SCRDCRAPSA-N 1 1 248.370 2.344 10 0 BEAEMO CCC[N@H+](Cc1nnc(C)n1CC)CC1CC1 ZINC000195429639 388163096 /nfs/dbraw/zinc/16/30/96/388163096.db2.gz NBFSQPPJZDGXFC-UHFFFAOYSA-N 1 1 236.363 2.228 10 0 BEAEMO CC/C=C\C[NH2+]Cc1csc(COC)n1 ZINC000648716668 388242689 /nfs/dbraw/zinc/24/26/89/388242689.db2.gz UFVSWNACIRBEHN-PLNGDYQASA-N 1 1 226.345 2.345 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1C[C@H](C)CC[C@H]1C ZINC000251231943 388274564 /nfs/dbraw/zinc/27/45/64/388274564.db2.gz HPGYJFKMBCGGBR-OPRDCNLKSA-N 1 1 214.378 2.172 10 0 BEAEMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000300400806 388367021 /nfs/dbraw/zinc/36/70/21/388367021.db2.gz ZURLPJGBLINZJQ-OPRDCNLKSA-N 1 1 212.293 2.057 10 0 BEAEMO C[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C)CC1 ZINC000195116912 388460420 /nfs/dbraw/zinc/46/04/20/388460420.db2.gz WOVUCZIXDAOMJS-NSHDSACASA-N 1 1 248.374 2.315 10 0 BEAEMO C[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C)CC1 ZINC000195116912 388460422 /nfs/dbraw/zinc/46/04/22/388460422.db2.gz WOVUCZIXDAOMJS-NSHDSACASA-N 1 1 248.374 2.315 10 0 BEAEMO C[C@@H](C[N@H+]1C[C@H](C)C[C@@H](O)C1)C(C)(C)C ZINC000648862283 388473395 /nfs/dbraw/zinc/47/33/95/388473395.db2.gz KPRSSAJBUUBICV-GRYCIOLGSA-N 1 1 213.365 2.371 10 0 BEAEMO C[C@H]1[C@H](O)CCC[N@H+]1CCCc1ccccc1 ZINC000296419913 388422578 /nfs/dbraw/zinc/42/25/78/388422578.db2.gz VNXNTRGZFFNMGE-DZGCQCFKSA-N 1 1 233.355 2.464 10 0 BEAEMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000296464118 388424321 /nfs/dbraw/zinc/42/43/21/388424321.db2.gz XOHPMISYYBDSON-GXSJLCMTSA-N 1 1 240.734 2.080 10 0 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BEAEMO CC[C@@](C)(CCO)Nc1cc(C)[nH+]c(C)n1 ZINC000189505662 171167370 /nfs/dbraw/zinc/16/73/70/171167370.db2.gz MOYXBLURMYELDL-LBPRGKRZSA-N 1 1 223.320 2.056 10 0 BEAEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000119407121 171177223 /nfs/dbraw/zinc/17/72/23/171177223.db2.gz YSQNMYMUDDNEHK-CYBMUJFWSA-N 1 1 225.307 2.419 10 0 BEAEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1OC ZINC000119409311 171178937 /nfs/dbraw/zinc/17/89/37/171178937.db2.gz SUEPVVVIJDOPOD-CQSZACIVSA-N 1 1 237.343 2.288 10 0 BEAEMO CC[C@@]1(c2nc3ccc(F)cc3[nH]2)CC[NH2+]C1 ZINC000062914941 171217208 /nfs/dbraw/zinc/21/72/08/171217208.db2.gz YVWGEZUEZVQHHR-CYBMUJFWSA-N 1 1 233.290 2.343 10 0 BEAEMO CC[C@H](C)C[N@H+](C)Cc1nnc(C2CC2)n1C ZINC000111253829 171274377 /nfs/dbraw/zinc/27/43/77/171274377.db2.gz ZVSYOXGVAMVMQS-JTQLQIEISA-N 1 1 236.363 2.170 10 0 BEAEMO CC[C@H](C)C[N@@H+](C)Cc1nnc(C2CC2)n1C ZINC000111253829 171274378 /nfs/dbraw/zinc/27/43/78/171274378.db2.gz ZVSYOXGVAMVMQS-JTQLQIEISA-N 1 1 236.363 2.170 10 0 BEAEMO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000037979126 171326462 /nfs/dbraw/zinc/32/64/62/171326462.db2.gz JAZCIKYLRSBXIR-GXSJLCMTSA-N 1 1 238.331 2.153 10 0 BEAEMO CC[C@H](C)[C@H]([NH3+])CN1CCC(C)(C)CC1 ZINC000061822623 171396713 /nfs/dbraw/zinc/39/67/13/171396713.db2.gz VQBJGTZYSDBTLI-NWDGAFQWSA-N 1 1 212.381 2.482 10 0 BEAEMO CC[C@H](C)[C@H]([NH3+])CN(CCOC)[C@@H](C)C1CC1 ZINC000042689311 171396936 /nfs/dbraw/zinc/39/69/36/171396936.db2.gz NJCPRKJMLINQJM-SGMGOOAPSA-N 1 1 242.407 2.107 10 0 BEAEMO CC[C@H](C)[C@H](N)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689311 171396938 /nfs/dbraw/zinc/39/69/38/171396938.db2.gz NJCPRKJMLINQJM-SGMGOOAPSA-N 1 1 242.407 2.107 10 0 BEAEMO CC[C@H](C)[C@H](N)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689311 171396940 /nfs/dbraw/zinc/39/69/40/171396940.db2.gz NJCPRKJMLINQJM-SGMGOOAPSA-N 1 1 242.407 2.107 10 0 BEAEMO CCc1nc([C@H]([NH3+])c2ccc(SC)cc2)no1 ZINC000036762912 172007687 /nfs/dbraw/zinc/00/76/87/172007687.db2.gz AERMFLBVJFEDHS-LLVKDONJSA-N 1 1 249.339 2.402 10 0 BEAEMO CCc1[nH+]ccn1CCOc1ccccc1N ZINC000042419590 172025438 /nfs/dbraw/zinc/02/54/38/172025438.db2.gz IEQUWKGWSNAZRV-UHFFFAOYSA-N 1 1 231.299 2.107 10 0 BEAEMO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2)n1C ZINC000120700890 172053906 /nfs/dbraw/zinc/05/39/06/172053906.db2.gz ZXVKSSZJDJMVHY-NSHDSACASA-N 1 1 244.342 2.228 10 0 BEAEMO CCn1c(C)[nH+]cc1-c1cccc(N)c1 ZINC000039100718 172131301 /nfs/dbraw/zinc/13/13/01/172131301.db2.gz KCJJRLQMEDRCQZ-UHFFFAOYSA-N 1 1 201.273 2.461 10 0 BEAEMO CCn1cc(C[NH2+][C@@H]2COc3ccccc32)cn1 ZINC000070079778 172174485 /nfs/dbraw/zinc/17/44/85/172174485.db2.gz LUHMSCSWCUNGNP-CYBMUJFWSA-N 1 1 243.310 2.126 10 0 BEAEMO CCn1cc(C[NH2+][C@H]2COc3ccccc32)cn1 ZINC000070079779 172176151 /nfs/dbraw/zinc/17/61/51/172176151.db2.gz LUHMSCSWCUNGNP-ZDUSSCGKSA-N 1 1 243.310 2.126 10 0 BEAEMO CCn1cc(N[C@H](C)[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000035779810 172188622 /nfs/dbraw/zinc/18/86/22/172188622.db2.gz BUCOPUWUESZOBB-NEPJUHHUSA-N 1 1 236.363 2.045 10 0 BEAEMO CCn1ccnc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000050614139 172227738 /nfs/dbraw/zinc/22/77/38/172227738.db2.gz SFEJGZCLYDDWHW-GFCCVEGCSA-N 1 1 236.363 2.045 10 0 BEAEMO CCn1ccnc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000050614139 172227741 /nfs/dbraw/zinc/22/77/41/172227741.db2.gz SFEJGZCLYDDWHW-GFCCVEGCSA-N 1 1 236.363 2.045 10 0 BEAEMO CCn1ccnc1[C@@H]([NH3+])c1sccc1C ZINC000041048465 172228779 /nfs/dbraw/zinc/22/87/79/172228779.db2.gz FTOVUDZWZZPILZ-VIFPVBQESA-N 1 1 221.329 2.321 10 0 BEAEMO CCn1ccnc1[C@@H]([NH3+])c1ccc(C)s1 ZINC000041048463 172228976 /nfs/dbraw/zinc/22/89/76/172228976.db2.gz PNPIFUCGBUHBFK-JTQLQIEISA-N 1 1 221.329 2.321 10 0 BEAEMO CCn1ccnc1[C@H]([NH3+])c1cc(C)oc1C ZINC000041048458 172229720 /nfs/dbraw/zinc/22/97/20/172229720.db2.gz COMYPBKDNISOFO-LLVKDONJSA-N 1 1 219.288 2.161 10 0 BEAEMO CCn1ccnc1[C@H]([NH2+]C)c1ccoc1C ZINC000041048685 172230949 /nfs/dbraw/zinc/23/09/49/172230949.db2.gz YYRPHTXGQULCPL-LLVKDONJSA-N 1 1 219.288 2.113 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000044565934 173005045 /nfs/dbraw/zinc/00/50/45/173005045.db2.gz WOLZFEHVHCWASU-SECBINFHSA-N 1 1 240.738 2.026 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc2cn[nH]c2c1 ZINC000054242480 173005655 /nfs/dbraw/zinc/00/56/55/173005655.db2.gz KBWDFODWSOYBTL-CYBMUJFWSA-N 1 1 244.342 2.459 10 0 BEAEMO C[N@@H+]1CCCC[C@@H]1CNc1ccc2c[nH]nc2c1 ZINC000054242480 173005658 /nfs/dbraw/zinc/00/56/58/173005658.db2.gz KBWDFODWSOYBTL-CYBMUJFWSA-N 1 1 244.342 2.459 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1CNc1ccc2c[nH]nc2c1 ZINC000054242480 173005661 /nfs/dbraw/zinc/00/56/61/173005661.db2.gz KBWDFODWSOYBTL-CYBMUJFWSA-N 1 1 244.342 2.459 10 0 BEAEMO C[N@H+]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000040673500 173020862 /nfs/dbraw/zinc/02/08/62/173020862.db2.gz CDBQPZAYNROGBZ-SNVBAGLBSA-N 1 1 225.723 2.241 10 0 BEAEMO C[N@@H+]1CCO[C@H](c2cccc3[nH]ccc32)C1 ZINC000039407473 173108982 /nfs/dbraw/zinc/10/89/82/173108982.db2.gz RDGILZNSARRJLX-ZDUSSCGKSA-N 1 1 216.284 2.171 10 0 BEAEMO C[N@H+]1CCO[C@H](c2cccc3[nH]ccc32)C1 ZINC000039407473 173108984 /nfs/dbraw/zinc/10/89/84/173108984.db2.gz RDGILZNSARRJLX-ZDUSSCGKSA-N 1 1 216.284 2.171 10 0 BEAEMO C[N@H+]1CC[C@@H](CNCc2ccccc2Cl)C1 ZINC000037484568 173116773 /nfs/dbraw/zinc/11/67/73/173116773.db2.gz WXWXWTBUNOZDSG-NSHDSACASA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548232 173125958 /nfs/dbraw/zinc/12/59/58/173125958.db2.gz UKPHLJFMPICURU-MRVPVSSYSA-N 1 1 245.248 2.216 10 0 BEAEMO C[N@H+]1CC[C@H](CNc2ccc(Cl)cn2)C1 ZINC000037485177 173147729 /nfs/dbraw/zinc/14/77/29/173147729.db2.gz LRUHBJIGHJLDNU-SECBINFHSA-N 1 1 225.723 2.099 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2ccc(Cl)cc2)C1 ZINC000061984637 173155208 /nfs/dbraw/zinc/15/52/08/173155208.db2.gz LVFARQMBEKPLTC-NSHDSACASA-N 1 1 210.708 2.456 10 0 BEAEMO CN1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccco1)C2 ZINC000035661454 173206361 /nfs/dbraw/zinc/20/63/61/173206361.db2.gz UVOLIJQRSSMGBW-YHWZYXNKSA-N 1 1 234.343 2.037 10 0 BEAEMO C[NH2+]CC(C)(C)CN1CCc2ccccc2C1 ZINC000051212972 173335703 /nfs/dbraw/zinc/33/57/03/173335703.db2.gz NCJGCCXWKUXABP-UHFFFAOYSA-N 1 1 232.371 2.290 10 0 BEAEMO C[NH2+]CCCN(C)[C@@H](C)c1cccc(OC)c1 ZINC000124777588 173345848 /nfs/dbraw/zinc/34/58/48/173345848.db2.gz ZFLPNDKICULFBM-LBPRGKRZSA-N 1 1 236.359 2.298 10 0 BEAEMO C[NH2+]CCCN(C)[C@H](C)c1cccc(OC)c1 ZINC000124777755 173346214 /nfs/dbraw/zinc/34/62/14/173346214.db2.gz ZFLPNDKICULFBM-GFCCVEGCSA-N 1 1 236.359 2.298 10 0 BEAEMO C[NH2+]CC[C@@H](C)N1CCc2ccccc2C1 ZINC000052419106 173357449 /nfs/dbraw/zinc/35/74/49/173357449.db2.gz FEWOACRXYDFFBP-GFCCVEGCSA-N 1 1 218.344 2.043 10 0 BEAEMO C[NH2+]CC[C@H](C)N1CCc2ccccc2C1 ZINC000052419105 173358295 /nfs/dbraw/zinc/35/82/95/173358295.db2.gz FEWOACRXYDFFBP-LBPRGKRZSA-N 1 1 218.344 2.043 10 0 BEAEMO C[NH2+]Cc1noc(-c2ccc(C)cc2C)n1 ZINC000051848651 173398284 /nfs/dbraw/zinc/39/82/84/173398284.db2.gz PCOZGLQTHDXTQX-UHFFFAOYSA-N 1 1 217.272 2.073 10 0 BEAEMO C[NH2+]Cc1noc(-c2cc(Cl)ccc2F)n1 ZINC000051848560 173398864 /nfs/dbraw/zinc/39/88/64/173398864.db2.gz RNINCKXMXWWGPD-UHFFFAOYSA-N 1 1 241.653 2.249 10 0 BEAEMO COC1CC[NH+](CC[C@H](N)c2ccccc2)CC1 ZINC000037266493 174029172 /nfs/dbraw/zinc/02/91/72/174029172.db2.gz GLCVAGRUCIEGSK-HNNXBMFYSA-N 1 1 248.370 2.187 10 0 BEAEMO COC1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000037266493 174029174 /nfs/dbraw/zinc/02/91/74/174029174.db2.gz GLCVAGRUCIEGSK-HNNXBMFYSA-N 1 1 248.370 2.187 10 0 BEAEMO COC1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000037265976 174029216 /nfs/dbraw/zinc/02/92/16/174029216.db2.gz NNAVIZYFKBUVRA-UHFFFAOYSA-N 1 1 240.391 2.005 10 0 BEAEMO COCCCCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000103226630 174177646 /nfs/dbraw/zinc/17/76/46/174177646.db2.gz XCCGVGOTAFCVGT-UONOGXRCSA-N 1 1 241.375 2.447 10 0 BEAEMO COCCC[N@@H+](C)CCNc1ccc(C)cc1 ZINC000062037083 174216719 /nfs/dbraw/zinc/21/67/19/174216719.db2.gz CJJZZAYLGCSNHJ-UHFFFAOYSA-N 1 1 236.359 2.375 10 0 BEAEMO COCCC[N@H+](C)[C@H](c1ccccc1)[C@@H](C)N ZINC000062029284 174220689 /nfs/dbraw/zinc/22/06/89/174220689.db2.gz GUATVCWFYCWGFW-OCCSQVGLSA-N 1 1 236.359 2.043 10 0 BEAEMO COCCC[N@@H+](C)[C@H](c1ccccc1)[C@@H](C)N ZINC000062029284 174220690 /nfs/dbraw/zinc/22/06/90/174220690.db2.gz GUATVCWFYCWGFW-OCCSQVGLSA-N 1 1 236.359 2.043 10 0 BEAEMO COCCN(C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000051258762 174275799 /nfs/dbraw/zinc/27/57/99/174275799.db2.gz LYHSORKIGMYNCT-UHFFFAOYSA-N 1 1 242.407 2.123 10 0 BEAEMO COCCN([C@H](C)CC[NH2+]C(C)(C)C)C1CC1 ZINC000052542570 174284500 /nfs/dbraw/zinc/28/45/00/174284500.db2.gz ACJBQMYCWODLDX-GFCCVEGCSA-N 1 1 242.407 2.264 10 0 BEAEMO COCC[N@H+](C1CC1)[C@@]1(CN)CCC[C@H](C)C1 ZINC000042517877 174285477 /nfs/dbraw/zinc/28/54/77/174285477.db2.gz VSRJVFGSANNGDK-JSGCOSHPSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@@H+](C1CC1)[C@@]1(CN)CCC[C@H](C)C1 ZINC000042517877 174285480 /nfs/dbraw/zinc/28/54/80/174285480.db2.gz VSRJVFGSANNGDK-JSGCOSHPSA-N 1 1 240.391 2.005 10 0 BEAEMO COCCN(C1CC1)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517877 174285482 /nfs/dbraw/zinc/28/54/82/174285482.db2.gz VSRJVFGSANNGDK-JSGCOSHPSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@H+]([C@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518143 174285610 /nfs/dbraw/zinc/28/56/10/174285610.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@@H+]([C@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518143 174285611 /nfs/dbraw/zinc/28/56/11/174285611.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@@H+](Cc1ccc(C)c(N)c1)C1CC1 ZINC000042519641 174299430 /nfs/dbraw/zinc/29/94/30/174299430.db2.gz QHHYMUAHDXZWGE-UHFFFAOYSA-N 1 1 234.343 2.188 10 0 BEAEMO COCC[C@H]([NH3+])c1nc2cc(C)ccc2o1 ZINC000052785525 174415739 /nfs/dbraw/zinc/41/57/39/174415739.db2.gz YWCSBNFMDGUTRJ-VIFPVBQESA-N 1 1 220.272 2.173 10 0 BEAEMO COc1ccc(-c2cnc([C@@H](C)[NH3+])o2)cc1OC ZINC000011587077 175036538 /nfs/dbraw/zinc/03/65/38/175036538.db2.gz RCMNPIXYISSQGW-MRVPVSSYSA-N 1 1 248.282 2.379 10 0 BEAEMO COc1ccc(-c2cnc([C@@H](C)[NH3+])o2)cc1 ZINC000011587069 175037328 /nfs/dbraw/zinc/03/73/28/175037328.db2.gz GPUGCQIHCKFXBE-MRVPVSSYSA-N 1 1 218.256 2.370 10 0 BEAEMO COc1ccc(C)cc1[C@@H](C)N1CC[C@H](C[NH3+])C1 ZINC000050245067 175078866 /nfs/dbraw/zinc/07/88/66/175078866.db2.gz OMSCNOSGYODWGM-CHWSQXEVSA-N 1 1 248.370 2.345 10 0 BEAEMO COc1ccc(C)cc1[C@H](O)C[N@@H+](C)C1CC1 ZINC000042250722 175082065 /nfs/dbraw/zinc/08/20/65/175082065.db2.gz RCEGWXLOKFIAQU-CYBMUJFWSA-N 1 1 235.327 2.131 10 0 BEAEMO COc1ccc(CCC[N@@H+]2CCC[C@H]2CN)cc1 ZINC000019933309 175089727 /nfs/dbraw/zinc/08/97/27/175089727.db2.gz GRBXTFZTNHLFHL-AWEZNQCLSA-N 1 1 248.370 2.051 10 0 BEAEMO COc1ccc(CCC[N@H+]2CCC[C@H]2CN)cc1 ZINC000019933309 175089730 /nfs/dbraw/zinc/08/97/30/175089730.db2.gz GRBXTFZTNHLFHL-AWEZNQCLSA-N 1 1 248.370 2.051 10 0 BEAEMO COc1ccc(Cl)cc1N[C@H]1CC[N@@H+](C)C1 ZINC000061984609 175122293 /nfs/dbraw/zinc/12/22/93/175122293.db2.gz ZAZRNPVLASSCAM-JTQLQIEISA-N 1 1 240.734 2.465 10 0 BEAEMO COc1ccc(N)cc1[C@H]1CC[N@H+](C(C)C)C1 ZINC000090548032 175138477 /nfs/dbraw/zinc/13/84/77/175138477.db2.gz HETDDJQJBIZRSJ-NSHDSACASA-N 1 1 234.343 2.475 10 0 BEAEMO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C)C2)cc1 ZINC000037646155 175177128 /nfs/dbraw/zinc/17/71/28/175177128.db2.gz UNDVNAGJIUOELQ-OLZOCXBDSA-N 1 1 248.370 2.298 10 0 BEAEMO COc1ccc([C@@H](O)C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000042246767 175180856 /nfs/dbraw/zinc/18/08/56/175180856.db2.gz JGAOYEFHNPJWCN-NHYWBVRUSA-N 1 1 249.354 2.459 10 0 BEAEMO COc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C)C2)cc1 ZINC000037646156 175189673 /nfs/dbraw/zinc/18/96/73/175189673.db2.gz UNDVNAGJIUOELQ-QWHCGFSZSA-N 1 1 248.370 2.298 10 0 BEAEMO COc1ccc2c(ccnc2NCCC[NH3+])c1 ZINC000082766064 175206062 /nfs/dbraw/zinc/20/60/62/175206062.db2.gz JGNNRDHCPOZUDI-UHFFFAOYSA-N 1 1 231.299 2.004 10 0 BEAEMO COc1cccc(-c2ncc([C@@H](C)[NH3+])[nH]2)c1 ZINC000082517053 175235753 /nfs/dbraw/zinc/23/57/53/175235753.db2.gz WITHOMNMZMJIDU-MRVPVSSYSA-N 1 1 217.272 2.105 10 0 BEAEMO COc1cccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749255 175261470 /nfs/dbraw/zinc/26/14/70/175261470.db2.gz FHSFGUBXWQPZQH-AGUYFDCRSA-N 1 1 246.354 2.149 10 0 BEAEMO COc1cccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427413 175261477 /nfs/dbraw/zinc/26/14/77/175261477.db2.gz ZMPJNYHXFVCQHX-JSGCOSHPSA-N 1 1 248.370 2.254 10 0 BEAEMO COc1cccc(NCC[N@@H+](C)C2CCCC2)n1 ZINC000104109434 175277878 /nfs/dbraw/zinc/27/78/78/175277878.db2.gz IPRFAOZWWFCPEW-UHFFFAOYSA-N 1 1 249.358 2.377 10 0 BEAEMO COc1cccc([C@@H](CN)[N@@H+](C)CC(C)C)c1 ZINC000020225828 175287419 /nfs/dbraw/zinc/28/74/19/175287419.db2.gz OZXXZQBSKJVQRY-CQSZACIVSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1cccc([C@@H](C[NH3+])N(C)CC(C)C)c1 ZINC000020225828 175287422 /nfs/dbraw/zinc/28/74/22/175287422.db2.gz OZXXZQBSKJVQRY-CQSZACIVSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1cccc2cc([C@@H](C)NCCC[NH3+])oc21 ZINC000037713534 175307459 /nfs/dbraw/zinc/30/74/59/175307459.db2.gz JGFRYVZRSRDFOO-SNVBAGLBSA-N 1 1 248.326 2.441 10 0 BEAEMO COc1ccccc1/C=C\C[N@H+]1CCC[C@H](O)C1 ZINC000103862750 175315445 /nfs/dbraw/zinc/31/54/45/175315445.db2.gz LHQPFCURFYWCEW-ZBKLQPJUSA-N 1 1 247.338 2.165 10 0 BEAEMO COc1ccccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000378353021 175327272 /nfs/dbraw/zinc/32/72/72/175327272.db2.gz ZSCLTOMQQWHYAU-ZDUSSCGKSA-N 1 1 249.354 2.290 10 0 BEAEMO COc1ccccc1C[C@H](C)N1CCC([NH3+])CC1 ZINC000037735031 175333184 /nfs/dbraw/zinc/33/31/84/175333184.db2.gz RRBIMHITKJREIC-LBPRGKRZSA-N 1 1 248.370 2.049 10 0 BEAEMO COc1ccccc1[C@@H](C)[NH2+]Cc1cncnc1 ZINC000054767029 175344518 /nfs/dbraw/zinc/34/45/18/175344518.db2.gz VIYQUJGYAGJAQB-LLVKDONJSA-N 1 1 243.310 2.336 10 0 BEAEMO COc1ccccc1[C@@H]([C@@H](C)N)[N@H+](C)CC1CC1 ZINC000043097799 175348874 /nfs/dbraw/zinc/34/88/74/175348874.db2.gz DRCUNDYVCOMRHP-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@@H]([C@@H](C)N)[N@@H+](C)CC1CC1 ZINC000043097799 175348875 /nfs/dbraw/zinc/34/88/75/175348875.db2.gz DRCUNDYVCOMRHP-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CCCC1 ZINC000040216766 176023125 /nfs/dbraw/zinc/02/31/25/176023125.db2.gz FBKDBTRGXLWNHD-GXTWGEPZSA-N 1 1 218.344 2.213 10 0 BEAEMO C[C@@H](c1ccncc1)N1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049666705 176035589 /nfs/dbraw/zinc/03/55/89/176035589.db2.gz CITSHMQMXAUCPR-MCIONIFRSA-N 1 1 247.386 2.463 10 0 BEAEMO C[C@@H]1CCC(=O)[C@H](C[N@H+]2CCOCC2(C)C)C1 ZINC000053929946 176061683 /nfs/dbraw/zinc/06/16/83/176061683.db2.gz GUKIQYXEPATGTN-NEPJUHHUSA-N 1 1 239.359 2.103 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1CCNCc1ccccn1 ZINC000053343361 176071096 /nfs/dbraw/zinc/07/10/96/176071096.db2.gz NTYLEYXJPXUGNX-CYBMUJFWSA-N 1 1 233.359 2.046 10 0 BEAEMO C[C@@H]1CCCCN1CC[NH2+]Cc1ccccn1 ZINC000053343361 176071098 /nfs/dbraw/zinc/07/10/98/176071098.db2.gz NTYLEYXJPXUGNX-CYBMUJFWSA-N 1 1 233.359 2.046 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1N ZINC000019270009 176075698 /nfs/dbraw/zinc/07/56/98/176075698.db2.gz RCZBRYRNGARONQ-KYOSRNDESA-N 1 1 246.354 2.322 10 0 BEAEMO C[C@@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019270009 176075699 /nfs/dbraw/zinc/07/56/99/176075699.db2.gz RCZBRYRNGARONQ-KYOSRNDESA-N 1 1 246.354 2.322 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116171 176075873 /nfs/dbraw/zinc/07/58/73/176075873.db2.gz ZIAJAHNHZIKPEM-KYOSRNDESA-N 1 1 247.338 2.355 10 0 BEAEMO C[C@@H]1CCCC[C@]1(CN)[N@@H+](C)CC1CC1 ZINC000037925264 176090439 /nfs/dbraw/zinc/09/04/39/176090439.db2.gz COXGYQIZLJDOFG-DGCLKSJQSA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@@H]1CCC[N@@H+]1CC(=O)Cc1ccccc1F ZINC000037911712 176108419 /nfs/dbraw/zinc/10/84/19/176108419.db2.gz ZEQNLYFUGMYBHA-LLVKDONJSA-N 1 1 235.302 2.422 10 0 BEAEMO C[C@@H]1CCC[N@H+]1CC(=O)Cc1ccccc1F ZINC000037911712 176108421 /nfs/dbraw/zinc/10/84/21/176108421.db2.gz ZEQNLYFUGMYBHA-LLVKDONJSA-N 1 1 235.302 2.422 10 0 BEAEMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121366961 176114682 /nfs/dbraw/zinc/11/46/82/176114682.db2.gz MPHWBQSLMYAXLP-BBBLOLIVSA-N 1 1 239.281 2.420 10 0 BEAEMO C[C@@H]1CC[N@@H+](CCc2ccccc2N)C1 ZINC000052918425 176169363 /nfs/dbraw/zinc/16/93/63/176169363.db2.gz RNGBBNLPWBXPBR-LLVKDONJSA-N 1 1 204.317 2.153 10 0 BEAEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(C)(C)C ZINC000112697698 176222311 /nfs/dbraw/zinc/22/23/11/176222311.db2.gz WAOKBQYAGBDMQS-MNOVXSKESA-N 1 1 226.364 2.008 10 0 BEAEMO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1ccc(F)cc1 ZINC000042427374 176224301 /nfs/dbraw/zinc/22/43/01/176224301.db2.gz NMAOAWLKDGEAHC-DGCLKSJQSA-N 1 1 236.334 2.385 10 0 BEAEMO C[C@@H]1CN(CC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061934319 176294762 /nfs/dbraw/zinc/29/47/62/176294762.db2.gz SLTFGTNZJQBDBX-HIFRSBDPSA-N 1 1 248.370 2.187 10 0 BEAEMO C[C@@H]1C[NH+](Cc2ccc(N)c(F)c2)C[C@@H](C)O1 ZINC000063011160 176304586 /nfs/dbraw/zinc/30/45/86/176304586.db2.gz SIJHJSYAHSURFP-NXEZZACHSA-N 1 1 238.306 2.017 10 0 BEAEMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3)[C@H](C)CO1 ZINC000035787380 176304848 /nfs/dbraw/zinc/30/48/48/176304848.db2.gz NPESQTQTMNNHGD-VXGBXAGGSA-N 1 1 246.354 2.264 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(C)(F)F ZINC000336508073 176322477 /nfs/dbraw/zinc/32/24/77/176322477.db2.gz JNWDSGZHZCSRPZ-MNOVXSKESA-N 1 1 232.318 2.200 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(C)(F)F ZINC000336508072 176323185 /nfs/dbraw/zinc/32/31/85/176323185.db2.gz JNWDSGZHZCSRPZ-GHMZBOCLSA-N 1 1 232.318 2.200 10 0 BEAEMO C[C@@H]1C[NH2+][C@@H](c2ccccc2Cl)CO1 ZINC000071518354 176330656 /nfs/dbraw/zinc/33/06/56/176330656.db2.gz JAWDOIZTHFYQPG-LDYMZIIASA-N 1 1 211.692 2.389 10 0 BEAEMO C[C@@H]1C[C@@H]1C[N@@H+](C)C1(CN)Cc2ccccc2C1 ZINC000104408188 176391403 /nfs/dbraw/zinc/39/14/03/176391403.db2.gz PTMLJWMOLGQTAH-IUODEOHRSA-N 1 1 244.382 2.071 10 0 BEAEMO C[C@@H]1C[C@@H]1CN(C)C1(C[NH3+])Cc2ccccc2C1 ZINC000104408188 176391405 /nfs/dbraw/zinc/39/14/05/176391405.db2.gz PTMLJWMOLGQTAH-IUODEOHRSA-N 1 1 244.382 2.071 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@H+](C)CCN1CCCC1 ZINC000063050684 177036086 /nfs/dbraw/zinc/03/60/86/177036086.db2.gz ILBLNXALYSEDMQ-CYBMUJFWSA-N 1 1 247.386 2.357 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)CCN1CCCC1 ZINC000063050684 177036088 /nfs/dbraw/zinc/03/60/88/177036088.db2.gz ILBLNXALYSEDMQ-CYBMUJFWSA-N 1 1 247.386 2.357 10 0 BEAEMO C[C@H](c1cccs1)[N@H+]1CC[C@@H](CO)C1 ZINC000100248421 177048956 /nfs/dbraw/zinc/04/89/56/177048956.db2.gz KNESTDLOKWBUDX-NXEZZACHSA-N 1 1 211.330 2.123 10 0 BEAEMO C[C@H](c1ccco1)[N@H+]1CCCC[C@@H]1CO ZINC000095089116 177049367 /nfs/dbraw/zinc/04/93/67/177049367.db2.gz KNVFRZBZYOLLJH-GHMZBOCLSA-N 1 1 209.289 2.187 10 0 BEAEMO C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)nc(N)n1 ZINC000146838969 177076879 /nfs/dbraw/zinc/07/68/79/177076879.db2.gz ZFVIZYSBTVJVBX-QMMMGPOBSA-N 1 1 240.738 2.087 10 0 BEAEMO C[C@H]1CCCC[N@H+]1Cc1cc(Cl)nc(N)n1 ZINC000146838969 177076880 /nfs/dbraw/zinc/07/68/80/177076880.db2.gz ZFVIZYSBTVJVBX-QMMMGPOBSA-N 1 1 240.738 2.087 10 0 BEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1N ZINC000019270012 177078449 /nfs/dbraw/zinc/07/84/49/177078449.db2.gz RCZBRYRNGARONQ-LNSITVRQSA-N 1 1 246.354 2.322 10 0 BEAEMO C[C@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019270012 177078451 /nfs/dbraw/zinc/07/84/51/177078451.db2.gz RCZBRYRNGARONQ-LNSITVRQSA-N 1 1 246.354 2.322 10 0 BEAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C[NH3+])no1 ZINC000052546782 177080333 /nfs/dbraw/zinc/08/03/33/177080333.db2.gz PAPRFCMAHHTBNA-GWCFXTLKSA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cc(CN)no1 ZINC000052546782 177080335 /nfs/dbraw/zinc/08/03/35/177080335.db2.gz PAPRFCMAHHTBNA-GWCFXTLKSA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@H]1CCCC[C@]1(CN)[N@H+]1CCCSCC1 ZINC000042443616 177090346 /nfs/dbraw/zinc/09/03/46/177090346.db2.gz DJCVHWGKHFTUOL-QWHCGFSZSA-N 1 1 242.432 2.333 10 0 BEAEMO C[C@H]1CCC[N@H+]([C@H](CN)CC(C)(C)C)C1 ZINC000061839648 177105314 /nfs/dbraw/zinc/10/53/14/177105314.db2.gz XFRGJMKTGWRBIF-RYUDHWBXSA-N 1 1 212.381 2.482 10 0 BEAEMO C[C@H]1CCC[N@H+]1CCc1nc2cc(N)ccc2[nH]1 ZINC000037909998 177109329 /nfs/dbraw/zinc/10/93/29/177109329.db2.gz BVJLTWRCBHISCA-JTQLQIEISA-N 1 1 244.342 2.172 10 0 BEAEMO C[C@H]1CCC[N@@H+]1CCc1nc2ccc(N)cc2[nH]1 ZINC000037909998 177109330 /nfs/dbraw/zinc/10/93/30/177109330.db2.gz BVJLTWRCBHISCA-JTQLQIEISA-N 1 1 244.342 2.172 10 0 BEAEMO C[C@H]1CCC[N@H+]1CCc1nc2ccc(N)cc2[nH]1 ZINC000037909998 177109331 /nfs/dbraw/zinc/10/93/31/177109331.db2.gz BVJLTWRCBHISCA-JTQLQIEISA-N 1 1 244.342 2.172 10 0 BEAEMO C[C@H]1CC[N@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000111679926 177162601 /nfs/dbraw/zinc/16/26/01/177162601.db2.gz UUGYKHMSNDQMLG-ZFWWWQNUSA-N 1 1 232.371 2.288 10 0 BEAEMO C[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000111679926 177162603 /nfs/dbraw/zinc/16/26/03/177162603.db2.gz UUGYKHMSNDQMLG-ZFWWWQNUSA-N 1 1 232.371 2.288 10 0 BEAEMO C[C@H]1CC[N@H+]([C@@H](CN)c2ccccc2)C1 ZINC000042278822 177169668 /nfs/dbraw/zinc/16/96/68/177169668.db2.gz GLBLILZAPAZPKL-AAEUAGOBSA-N 1 1 204.317 2.028 10 0 BEAEMO C[C@H]1CCN([C@@H](C[NH3+])c2ccccc2)C1 ZINC000042278822 177169669 /nfs/dbraw/zinc/16/96/69/177169669.db2.gz GLBLILZAPAZPKL-AAEUAGOBSA-N 1 1 204.317 2.028 10 0 BEAEMO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ccccc1F ZINC000042427283 177189601 /nfs/dbraw/zinc/18/96/01/177189601.db2.gz MGADHQSYXNFFFM-RYUDHWBXSA-N 1 1 236.334 2.385 10 0 BEAEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(C)(C)C ZINC000112697700 177198009 /nfs/dbraw/zinc/19/80/09/177198009.db2.gz WAOKBQYAGBDMQS-QWRGUYRKSA-N 1 1 226.364 2.008 10 0 BEAEMO C[C@H]1CC[C@H](C[NH3+])CN1Cc1ccc(F)cc1 ZINC000042427375 177201012 /nfs/dbraw/zinc/20/10/12/177201012.db2.gz NMAOAWLKDGEAHC-WCQYABFASA-N 1 1 236.334 2.385 10 0 BEAEMO C[C@H]1CC[C@H]([N@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018876 177203264 /nfs/dbraw/zinc/20/32/64/177203264.db2.gz HFCZIAJOQQASIY-JQWIXIFHSA-N 1 1 232.327 2.334 10 0 BEAEMO C[C@H]1C[N@H+](CCCOc2ccccc2)CCC1=O ZINC000052092348 177250226 /nfs/dbraw/zinc/25/02/26/177250226.db2.gz ZPSZHWKSDMCSIY-ZDUSSCGKSA-N 1 1 247.338 2.366 10 0 BEAEMO C[C@H]1C[N@@H+](CCCOc2ccccc2)CCC1=O ZINC000052092348 177250229 /nfs/dbraw/zinc/25/02/29/177250229.db2.gz ZPSZHWKSDMCSIY-ZDUSSCGKSA-N 1 1 247.338 2.366 10 0 BEAEMO C[C@H]1CN(CCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000104436830 177253390 /nfs/dbraw/zinc/25/33/90/177253390.db2.gz RYKXIIYVKYVTQP-JSGCOSHPSA-N 1 1 240.391 2.005 10 0 BEAEMO C[C@H]1C[N@H+](C[C@@H]2CCCC2(F)F)CCC1=O ZINC000334560968 177258004 /nfs/dbraw/zinc/25/80/04/177258004.db2.gz WDWPBRLZBLAQSS-UWVGGRQHSA-N 1 1 231.286 2.333 10 0 BEAEMO C[C@H]1C[N@@H+](C[C@@H]2CCCC2(F)F)CCC1=O ZINC000334560968 177258007 /nfs/dbraw/zinc/25/80/07/177258007.db2.gz WDWPBRLZBLAQSS-UWVGGRQHSA-N 1 1 231.286 2.333 10 0 BEAEMO C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CCS1 ZINC000163157426 177261796 /nfs/dbraw/zinc/26/17/96/177261796.db2.gz YWMASDRQBQFSGF-NSHDSACASA-N 1 1 237.368 2.116 10 0 BEAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCCCF ZINC000367211694 177280533 /nfs/dbraw/zinc/28/05/33/177280533.db2.gz MJRBMBDYQXSWDF-STQMWFEESA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCCCF ZINC000367211694 177280535 /nfs/dbraw/zinc/28/05/35/177280535.db2.gz MJRBMBDYQXSWDF-STQMWFEESA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCCCF ZINC000367211694 177280536 /nfs/dbraw/zinc/28/05/36/177280536.db2.gz MJRBMBDYQXSWDF-STQMWFEESA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@H]1CNCC[N@H+](C2(C)CCCCC2)C1 ZINC000045046681 177282563 /nfs/dbraw/zinc/28/25/63/177282563.db2.gz NMZHWCNDTDUUQU-LBPRGKRZSA-N 1 1 210.365 2.251 10 0 BEAEMO C[C@H]1CNCC[N@@H+]1CC/C=C/c1ccccc1 ZINC000085340207 177283921 /nfs/dbraw/zinc/28/39/21/177283921.db2.gz KWGVGUOIYXQNRS-KVEVGEHQSA-N 1 1 230.355 2.384 10 0 BEAEMO C[C@H]1CNCC[N@H+]1CC/C=C/c1ccccc1 ZINC000085340207 177283922 /nfs/dbraw/zinc/28/39/22/177283922.db2.gz KWGVGUOIYXQNRS-KVEVGEHQSA-N 1 1 230.355 2.384 10 0 BEAEMO C[C@H]1CNCC[N@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000054372334 177284285 /nfs/dbraw/zinc/28/42/85/177284285.db2.gz FRITVCYSWAGGRC-AXQFOSQISA-N 1 1 248.414 2.497 10 0 BEAEMO C[C@H]1C[NH2+]CCN1CC12CC3CC(CC(C3)C1)C2 ZINC000054372334 177284287 /nfs/dbraw/zinc/28/42/87/177284287.db2.gz FRITVCYSWAGGRC-AXQFOSQISA-N 1 1 248.414 2.497 10 0 BEAEMO 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CC(C)[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000112858832 187293713 /nfs/dbraw/zinc/29/37/13/187293713.db2.gz RZYJGZLDIZECSD-JSGCOSHPSA-N 1 1 248.370 2.450 10 0 BEAEMO CC(C)(C)[C@H]1CC[N@H+]([C@@H]2CCC(=O)C2)C1 ZINC000166446626 344898741 /nfs/dbraw/zinc/89/87/41/344898741.db2.gz RTOSDJAXGVRCPS-WDEREUQCSA-N 1 1 209.333 2.476 10 0 BEAEMO CC[N@@H+](CC(=O)N[C@H](C)C(C)(C)C)C1CC1 ZINC000126263914 345112953 /nfs/dbraw/zinc/11/29/53/345112953.db2.gz MFHDSKNMNLAVQP-SNVBAGLBSA-N 1 1 226.364 2.022 10 0 BEAEMO Cc1ccc(F)c(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998072 345197457 /nfs/dbraw/zinc/19/74/57/345197457.db2.gz AHFLQVFFPQKLAF-YPMHNXCESA-N 1 1 236.334 2.161 10 0 BEAEMO CCC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158743171 345369755 /nfs/dbraw/zinc/36/97/55/345369755.db2.gz UHZXMUQSRWHADO-GFCCVEGCSA-N 1 1 209.289 2.371 10 0 BEAEMO CCC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158743171 345369758 /nfs/dbraw/zinc/36/97/58/345369758.db2.gz UHZXMUQSRWHADO-GFCCVEGCSA-N 1 1 209.289 2.371 10 0 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CC(C)[N@H+](C)Cc1nc(N)ccc1Cl ZINC000061630717 345761447 /nfs/dbraw/zinc/76/14/47/345761447.db2.gz BCZOTTRIYDJYHI-UHFFFAOYSA-N 1 1 213.712 2.157 10 0 BEAEMO CC(C)[N@@H+](C)Cc1nc(N)ccc1Cl ZINC000061630717 345761451 /nfs/dbraw/zinc/76/14/51/345761451.db2.gz BCZOTTRIYDJYHI-UHFFFAOYSA-N 1 1 213.712 2.157 10 0 BEAEMO C=Cn1c(CO)cc2c1[C@@H](C)C[N@@H+](C)[C@H]2C ZINC000257354044 345774352 /nfs/dbraw/zinc/77/43/52/345774352.db2.gz VJWGFAWQJOZHCK-UWVGGRQHSA-N 1 1 220.316 2.191 10 0 BEAEMO CCCCOC[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1CC ZINC000300296073 345778242 /nfs/dbraw/zinc/77/82/42/345778242.db2.gz VKZSIMGZJSATSN-HZSPNIEDSA-N 1 1 243.391 2.427 10 0 BEAEMO CC(C)(C)OC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000166818245 345841681 /nfs/dbraw/zinc/84/16/81/345841681.db2.gz CDMJHIPUPXKDRV-UHFFFAOYSA-N 1 1 240.347 2.092 10 0 BEAEMO [NH3+]CC(F)(F)c1ncc(Cl)cc1Cl ZINC000218711216 345854160 /nfs/dbraw/zinc/85/41/60/345854160.db2.gz NJUWHAVIVHODOR-UHFFFAOYSA-N 1 1 227.041 2.439 10 0 BEAEMO CC[C@H]1CCC(=O)[C@H](C[N@@H+](C)[C@@H](C)COC)C1 ZINC000053928613 187311496 /nfs/dbraw/zinc/31/14/96/187311496.db2.gz JYWIEWFGPHGLGX-AVGNSLFASA-N 1 1 241.375 2.349 10 0 BEAEMO CNc1cc(NCC(C)C)[nH+]c(C2CC2)n1 ZINC000087908950 345940293 /nfs/dbraw/zinc/94/02/93/345940293.db2.gz GHANWDNTQLLSRX-UHFFFAOYSA-N 1 1 220.320 2.464 10 0 BEAEMO CCCCN(C)c1cc(N)nc(C2CC2)[nH+]1 ZINC000087908849 345940421 /nfs/dbraw/zinc/94/04/21/345940421.db2.gz KIHIKTWURJYZES-UHFFFAOYSA-N 1 1 220.320 2.173 10 0 BEAEMO CNc1cc(N2CCC[C@H](C)C2)[nH+]c(C)n1 ZINC000087805983 345940839 /nfs/dbraw/zinc/94/08/39/345940839.db2.gz FMMITGYKQZIDNC-VIFPVBQESA-N 1 1 220.320 2.063 10 0 BEAEMO CC(C)C1([NH+]2CCCCC2)CCNCC1 ZINC000685961614 537943627 /nfs/dbraw/zinc/94/36/27/537943627.db2.gz UFYJEDBPYANYTP-UHFFFAOYSA-N 1 1 210.365 2.251 10 0 BEAEMO Cc1ccccc1C[N@@H+](C)C(C)(C)CN ZINC000020226812 187316072 /nfs/dbraw/zinc/31/60/72/187316072.db2.gz FCZJQUFEPMMJIW-UHFFFAOYSA-N 1 1 206.333 2.164 10 0 BEAEMO Cc1ccccc1C[N@H+](C)C(C)(C)CN 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243.310 2.023 10 0 BEAEMO CC[N@H+]1CCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616602498 350791627 /nfs/dbraw/zinc/79/16/27/350791627.db2.gz KODCMXPTPSCRMX-CQSZACIVSA-N 1 1 243.310 2.023 10 0 BEAEMO CC[N@@H+]1CCN[C@H](c2cncc3ccccc32)C1 ZINC000616602629 350791741 /nfs/dbraw/zinc/79/17/41/350791741.db2.gz MADLUWMLKTYRKF-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 BEAEMO CC[N@H+]1CCN[C@H](c2cncc3ccccc32)C1 ZINC000616602629 350791742 /nfs/dbraw/zinc/79/17/42/350791742.db2.gz MADLUWMLKTYRKF-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 BEAEMO COc1ccccc1[C@@H]1CCCC[N@@H+](CCO)C1 ZINC000616604069 350792500 /nfs/dbraw/zinc/79/25/00/350792500.db2.gz AHHPNLWSNWGSES-CYBMUJFWSA-N 1 1 249.354 2.257 10 0 BEAEMO CC[N@@H+]1CCN[C@H](c2ccnc3ccccc32)C1 ZINC000616604594 350793382 /nfs/dbraw/zinc/79/33/82/350793382.db2.gz WVUPSSZIDSMOLH-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 BEAEMO CC[N@H+]1CCN[C@H](c2ccnc3ccccc32)C1 ZINC000616604594 350793384 /nfs/dbraw/zinc/79/33/84/350793384.db2.gz WVUPSSZIDSMOLH-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 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223.226 2.430 10 0 BEAEMO CCn1c[nH+]c(-c2ccc3c(c2)CCN3C)c1N ZINC000103475006 172230563 /nfs/dbraw/zinc/23/05/63/172230563.db2.gz JXGDQMFELYWFHH-UHFFFAOYSA-N 1 1 242.326 2.145 10 0 BEAEMO CN(C)c1[nH+]cccc1N[C@@H]1CCSC1 ZINC000037028660 172585874 /nfs/dbraw/zinc/58/58/74/172585874.db2.gz GGUGNJFNIAIVSU-SECBINFHSA-N 1 1 223.345 2.065 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000075907085 173006906 /nfs/dbraw/zinc/00/69/06/173006906.db2.gz NKXRYYHQOGGAED-CYBMUJFWSA-N 1 1 205.301 2.336 10 0 BEAEMO C[N@H+]1CCCC[C@H]1c1ccccc1CO ZINC000075907087 173010229 /nfs/dbraw/zinc/01/02/29/173010229.db2.gz NKXRYYHQOGGAED-ZDUSSCGKSA-N 1 1 205.301 2.336 10 0 BEAEMO CN(C)c1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000076680485 173021504 /nfs/dbraw/zinc/02/15/04/173021504.db2.gz SDYUNAGOAVBPLA-CYBMUJFWSA-N 1 1 233.359 2.259 10 0 BEAEMO C[N@@H+]1CCC[C@@H]2CN(CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037418 /nfs/dbraw/zinc/03/74/18/173037418.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 1 1 246.345 2.448 10 0 BEAEMO C[N@H+]1CCC[C@@H]2CN(CCC(C)(F)F)CC[C@@H]21 ZINC000336203759 173037420 /nfs/dbraw/zinc/03/74/20/173037420.db2.gz PGPJLFCSSHKVMW-NEPJUHHUSA-N 1 1 246.345 2.448 10 0 BEAEMO C[N@H+]1CCC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715828 173045836 /nfs/dbraw/zinc/04/58/36/173045836.db2.gz HYQHLKOXJPPMLD-JTQLQIEISA-N 1 1 239.750 2.428 10 0 BEAEMO C[N@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000076641899 173046816 /nfs/dbraw/zinc/04/68/16/173046816.db2.gz VDPBYOPAUHUDQB-LBPRGKRZSA-N 1 1 208.280 2.332 10 0 BEAEMO C[N@H+]1CCC[C@H](Nc2cnnc3ccccc32)C1 ZINC000104119446 173047023 /nfs/dbraw/zinc/04/70/23/173047023.db2.gz RVHNYBXFUKSZOU-NSHDSACASA-N 1 1 242.326 2.136 10 0 BEAEMO C[N@H+]1CCC[C@]12CCc1cc(O)ccc1C2 ZINC000169315964 173061646 /nfs/dbraw/zinc/06/16/46/173061646.db2.gz OZZKUGCQAMXRSE-CQSZACIVSA-N 1 1 217.312 2.345 10 0 BEAEMO C[N@H+]1CCC[C@](C)(c2cccc(O)c2)C1 ZINC000027564291 173062334 /nfs/dbraw/zinc/06/23/34/173062334.db2.gz IBRMGIQKMQEATN-ZDUSSCGKSA-N 1 1 205.301 2.376 10 0 BEAEMO C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000039109998 173117013 /nfs/dbraw/zinc/11/70/13/173117013.db2.gz DUXQDTZEIPNHRZ-UONOGXRCSA-N 1 1 218.344 2.036 10 0 BEAEMO C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000039109998 173117015 /nfs/dbraw/zinc/11/70/15/173117015.db2.gz DUXQDTZEIPNHRZ-UONOGXRCSA-N 1 1 218.344 2.036 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545181 173125215 /nfs/dbraw/zinc/12/52/15/173125215.db2.gz QOKYWDLDLLHNEH-SECBINFHSA-N 1 1 225.723 2.038 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2cc(F)cc(F)c2F)C1 ZINC000061989925 173125857 /nfs/dbraw/zinc/12/58/57/173125857.db2.gz YDGJPGXFEHJXDH-MRVPVSSYSA-N 1 1 230.233 2.220 10 0 BEAEMO C[N@H+]1CC[C@H](CNCc2ccc(Cl)s2)C1 ZINC000037484772 173146591 /nfs/dbraw/zinc/14/65/91/173146591.db2.gz PQPSGOKKSTUZJN-SECBINFHSA-N 1 1 244.791 2.443 10 0 BEAEMO CN1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484660 173146701 /nfs/dbraw/zinc/14/67/01/173146701.db2.gz YDWKBNMCYXJGRN-CYBMUJFWSA-N 1 1 210.365 2.108 10 0 BEAEMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013474999 173156289 /nfs/dbraw/zinc/15/62/89/173156289.db2.gz MVNHJEXPDKVMJY-DGCLKSJQSA-N 1 1 239.746 2.368 10 0 BEAEMO C[N@H+]1CCc2cc(O)c(Cl)cc2CC1 ZINC000027317402 173171587 /nfs/dbraw/zinc/17/15/87/173171587.db2.gz KUIFDRGVGCKHAW-UHFFFAOYSA-N 1 1 211.692 2.076 10 0 BEAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000013586309 173206174 /nfs/dbraw/zinc/20/61/74/173206174.db2.gz WXYVEMXFBWGVFO-AGUYFDCRSA-N 1 1 244.338 2.042 10 0 BEAEMO C[NH2+]C(C)(C)c1nc2cccc(C)c2[nH]1 ZINC000061149867 173321065 /nfs/dbraw/zinc/32/10/65/173321065.db2.gz PPLYZGLHGXLIOX-UHFFFAOYSA-N 1 1 203.289 2.326 10 0 BEAEMO C[NH2+]CCCN1CCC[C@H]2CCCC[C@@H]21 ZINC000042409659 173347310 /nfs/dbraw/zinc/34/73/10/173347310.db2.gz GJJAFUVRHQJJBH-OLZOCXBDSA-N 1 1 210.365 2.251 10 0 BEAEMO C[NH2+]C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000040592280 173378755 /nfs/dbraw/zinc/37/87/55/173378755.db2.gz WJTNXAMNMIOTQZ-GFCCVEGCSA-N 1 1 210.365 2.251 10 0 BEAEMO C[NH2+]Cc1nnc(Cc2cccc(Cl)c2)o1 ZINC000052945640 173397757 /nfs/dbraw/zinc/39/77/57/173397757.db2.gz SJVZXZZHIWFTFO-UHFFFAOYSA-N 1 1 237.690 2.033 10 0 BEAEMO C[NH2+]Cc1noc(-c2cccc(Cl)c2)n1 ZINC000051848606 173399865 /nfs/dbraw/zinc/39/98/65/173399865.db2.gz QVFQWZFDRYXCCU-UHFFFAOYSA-N 1 1 223.663 2.109 10 0 BEAEMO COC(=O)C(C)(C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000037085281 173507639 /nfs/dbraw/zinc/50/76/39/173507639.db2.gz VUJFHJLJLJFDDR-UWVGGRQHSA-N 1 1 213.321 2.106 10 0 BEAEMO COC1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000053499109 174028093 /nfs/dbraw/zinc/02/80/93/174028093.db2.gz UEOAFBPVOFLVQO-UHFFFAOYSA-N 1 1 240.391 2.020 10 0 BEAEMO COC1CC[NH+]([C@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000042901175 174030830 /nfs/dbraw/zinc/03/08/30/174030830.db2.gz FHQLPXSPCLINBR-DOMZBBRYSA-N 1 1 248.370 2.186 10 0 BEAEMO COC1CC[NH+]([C@@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000042901181 174030874 /nfs/dbraw/zinc/03/08/74/174030874.db2.gz FHQLPXSPCLINBR-IUODEOHRSA-N 1 1 248.370 2.186 10 0 BEAEMO COC1CCN([C@@](C)(C[NH3+])CCC(C)C)CC1 ZINC000037265959 174031189 /nfs/dbraw/zinc/03/11/89/174031189.db2.gz VVRRIBCYPHGTJD-CQSZACIVSA-N 1 1 242.407 2.251 10 0 BEAEMO COCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125539958 174233898 /nfs/dbraw/zinc/23/38/98/174233898.db2.gz OVECDEUUYQRAGB-LBPRGKRZSA-N 1 1 241.356 2.158 10 0 BEAEMO COCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125539958 174233899 /nfs/dbraw/zinc/23/38/99/174233899.db2.gz OVECDEUUYQRAGB-LBPRGKRZSA-N 1 1 241.356 2.158 10 0 BEAEMO COCC[N@@H+]([C@@H](C)c1cccc(N)c1)C1CC1 ZINC000042517320 174285602 /nfs/dbraw/zinc/28/56/02/174285602.db2.gz YIFLCUHLCOVRED-NSHDSACASA-N 1 1 234.343 2.441 10 0 BEAEMO COCC[N@@H+](CC(C)C)[C@](C)(CN)CC(C)C ZINC000042368265 174288629 /nfs/dbraw/zinc/28/86/29/174288629.db2.gz NBBDIBPCFKMCOK-AWEZNQCLSA-N 1 1 244.423 2.354 10 0 BEAEMO COCC[N@@H+](Cc1cccc(N)c1C)C1CC1 ZINC000042517315 174299459 /nfs/dbraw/zinc/29/94/59/174299459.db2.gz RVOPGRHGJSEINE-UHFFFAOYSA-N 1 1 234.343 2.188 10 0 BEAEMO COc1ccc(-c2[nH]c(C[C@H](C)[NH3+])nc2C)cc1 ZINC000037608971 175028956 /nfs/dbraw/zinc/02/89/56/175028956.db2.gz PUZXKODIUFQWND-VIFPVBQESA-N 1 1 245.326 2.283 10 0 BEAEMO COc1ccc(C(=O)C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716367 175053431 /nfs/dbraw/zinc/05/34/31/175053431.db2.gz URXJGUIWBVVKQF-WCQYABFASA-N 1 1 245.322 2.362 10 0 BEAEMO COc1ccc(C(=O)C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716367 175053433 /nfs/dbraw/zinc/05/34/33/175053433.db2.gz URXJGUIWBVVKQF-WCQYABFASA-N 1 1 245.322 2.362 10 0 BEAEMO COc1ccc(C)[nH+]c1NCc1cc[nH]c1 ZINC000124584064 175083812 /nfs/dbraw/zinc/08/38/12/175083812.db2.gz IHNTWQUMGZGWNI-UHFFFAOYSA-N 1 1 217.272 2.339 10 0 BEAEMO COc1ccc(Cl)c2[nH+]ccc(N)c12 ZINC000036075612 175120038 /nfs/dbraw/zinc/12/00/38/175120038.db2.gz XZHNAXFYPMWXBW-UHFFFAOYSA-N 1 1 208.648 2.479 10 0 BEAEMO COc1ccc(F)cc1[C@@H]([NH3+])c1ccco1 ZINC000035381474 175132679 /nfs/dbraw/zinc/13/26/79/175132679.db2.gz OSNTZQHIIKECDE-GFCCVEGCSA-N 1 1 221.231 2.475 10 0 BEAEMO COc1ccc(OC)c(NC2=[NH+]CCC2)c1 ZINC000003866626 175167482 /nfs/dbraw/zinc/16/74/82/175167482.db2.gz WMVBXCHWDPIRTP-UHFFFAOYSA-N 1 1 220.272 2.308 10 0 BEAEMO COc1ccc(OC)c([C@H]([NH3+])c2ccccn2)c1 ZINC000011832325 175168814 /nfs/dbraw/zinc/16/88/14/175168814.db2.gz VIQQTJYIZRMAFC-AWEZNQCLSA-N 1 1 244.294 2.147 10 0 BEAEMO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)c(F)c1 ZINC000038006313 175176648 /nfs/dbraw/zinc/17/66/48/175176648.db2.gz PYWQHLZTZQMFHX-SECBINFHSA-N 1 1 249.289 2.408 10 0 BEAEMO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C)C2)cc1 ZINC000037646157 175177036 /nfs/dbraw/zinc/17/70/36/175177036.db2.gz UNDVNAGJIUOELQ-CHWSQXEVSA-N 1 1 248.370 2.298 10 0 BEAEMO COc1ccc([C@@H](N)C[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000036785170 175179772 /nfs/dbraw/zinc/17/97/72/175179772.db2.gz KMBSGCVNZXIZQT-ABAIWWIYSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc([C@@H]([NH3+])CN(C)[C@H](C)C2CC2)cc1 ZINC000036785170 175179774 /nfs/dbraw/zinc/17/97/74/175179774.db2.gz KMBSGCVNZXIZQT-ABAIWWIYSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc([C@@H]([C@@H](C)N)[N@H+](C)CC2CC2)cc1 ZINC000042961358 175181849 /nfs/dbraw/zinc/18/18/49/175181849.db2.gz VGMHVIJEUPNUDS-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc([C@@H]([C@@H](C)N)[N@@H+](C)CC2CC2)cc1 ZINC000042961358 175181851 /nfs/dbraw/zinc/18/18/51/175181851.db2.gz VGMHVIJEUPNUDS-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc([C@H]([C@@H](C)N)[N@H+](C)C(C)C)cc1 ZINC000042960202 175193952 /nfs/dbraw/zinc/19/39/52/175193952.db2.gz JNXSEVOZKOBORH-RISCZKNCSA-N 1 1 236.359 2.424 10 0 BEAEMO COc1ccc([C@H]([C@@H](C)N)[N@@H+](C)C(C)C)cc1 ZINC000042960202 175193953 /nfs/dbraw/zinc/19/39/53/175193953.db2.gz JNXSEVOZKOBORH-RISCZKNCSA-N 1 1 236.359 2.424 10 0 BEAEMO COc1ccc2[nH]cc(C(F)(F)C[NH3+])c2c1 ZINC000097758229 175201631 /nfs/dbraw/zinc/20/16/31/175201631.db2.gz RUSUXWMUDZCCJT-UHFFFAOYSA-N 1 1 226.226 2.227 10 0 BEAEMO COc1ccc2nc(SC[C@@H](C)[NH3+])[nH]c2c1 ZINC000075954846 175201668 /nfs/dbraw/zinc/20/16/68/175201668.db2.gz JZEHWXMTRCRCAB-SSDOTTSWSA-N 1 1 237.328 2.011 10 0 BEAEMO COc1ccc2c(c1)CC[C@@H](N1CCCC1)[C@H]2[NH3+] ZINC000019394991 175209783 /nfs/dbraw/zinc/20/97/83/175209783.db2.gz OJMFIOXFHYFRTA-CABCVRRESA-N 1 1 246.354 2.106 10 0 BEAEMO COc1ccc2c(c1)CC[C@H](N1CCCC1)[C@@H]2[NH3+] ZINC000019394982 175209848 /nfs/dbraw/zinc/20/98/48/175209848.db2.gz OJMFIOXFHYFRTA-LSDHHAIUSA-N 1 1 246.354 2.106 10 0 BEAEMO COc1cccc(CN2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000049666963 175258243 /nfs/dbraw/zinc/25/82/43/175258243.db2.gz RQEGLUNJXBPATE-CYBMUJFWSA-N 1 1 248.370 2.127 10 0 BEAEMO COc1cccc(C[NH2+][C@@H](C)c2cc[nH]n2)c1 ZINC000037908335 175266483 /nfs/dbraw/zinc/26/64/83/175266483.db2.gz LAHKCJOBQOCRCF-JTQLQIEISA-N 1 1 231.299 2.269 10 0 BEAEMO COc1cccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000104117731 175279955 /nfs/dbraw/zinc/27/99/55/175279955.db2.gz GMZKHBOLDNRWNR-NWDGAFQWSA-N 1 1 247.342 2.129 10 0 BEAEMO COc1cccc([C@@H](N)C[N@H+]2CCC[C@H]2C)c1 ZINC000037910623 175288537 /nfs/dbraw/zinc/28/85/37/175288537.db2.gz IUWUZSKOPVUUPX-RISCZKNCSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1cccc([C@@H]([NH3+])CN2CCC[C@H]2C)c1 ZINC000037910623 175288538 /nfs/dbraw/zinc/28/85/38/175288538.db2.gz IUWUZSKOPVUUPX-RISCZKNCSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1cccc([C@@H]([C@@H](C)N)[NH+]2CCCC2)c1 ZINC000043025415 175289625 /nfs/dbraw/zinc/28/96/25/175289625.db2.gz NUYDEGMHCVTPIO-BXUZGUMPSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1cccc([C@@H]([C@H](C)N)[NH+]2CCCC2)c1 ZINC000043025411 175289695 /nfs/dbraw/zinc/28/96/95/175289695.db2.gz NUYDEGMHCVTPIO-SMDDNHRTSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1cccc([C@H](CN)[N@@H+](C)CC(C)C)c1 ZINC000020225829 175294353 /nfs/dbraw/zinc/29/43/53/175294353.db2.gz OZXXZQBSKJVQRY-AWEZNQCLSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1cccc([C@H](C[NH3+])N(C)CC(C)C)c1 ZINC000020225829 175294355 /nfs/dbraw/zinc/29/43/55/175294355.db2.gz OZXXZQBSKJVQRY-AWEZNQCLSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1cccc([C@H]([NH3+])c2nccs2)c1 ZINC000019930900 175295270 /nfs/dbraw/zinc/29/52/70/175295270.db2.gz FLWUSEWTZABOEI-JTQLQIEISA-N 1 1 220.297 2.200 10 0 BEAEMO COc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000042229858 175325966 /nfs/dbraw/zinc/32/59/66/175325966.db2.gz YRZGTTZBANNEMK-STQMWFEESA-N 1 1 235.327 2.040 10 0 BEAEMO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000062622634 175329040 /nfs/dbraw/zinc/32/90/40/175329040.db2.gz KWIVNIFBPZJMAE-PBWFPOADSA-N 1 1 247.338 2.183 10 0 BEAEMO COc1ccccc1[C@@H](N)C[N@@H+](C)CC1CC1 ZINC000037925474 175347222 /nfs/dbraw/zinc/34/72/22/175347222.db2.gz MARDTPMCVSUXBR-ZDUSSCGKSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccccc1[C@@H]([NH3+])CN(C)CC1CC1 ZINC000037925474 175347224 /nfs/dbraw/zinc/34/72/24/175347224.db2.gz MARDTPMCVSUXBR-ZDUSSCGKSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccccc1[C@@H]1[NH2+]CCn2cccc21 ZINC000031889908 175350347 /nfs/dbraw/zinc/35/03/47/175350347.db2.gz HAXUYGNZMKJJMM-AWEZNQCLSA-N 1 1 228.295 2.189 10 0 BEAEMO C[C@@H](CC[NH2+]CCc1nc[nH]n1)c1ccccc1 ZINC000080574437 175675607 /nfs/dbraw/zinc/67/56/07/175675607.db2.gz KPNFCPYCTKOBRT-LBPRGKRZSA-N 1 1 244.342 2.131 10 0 BEAEMO C[C@@H](CO)[C@@H](C)Nc1cc[nH+]cc1Cl ZINC000129611764 175762423 /nfs/dbraw/zinc/76/24/23/175762423.db2.gz HHCDLYCCAYLMRC-JGVFFNPUSA-N 1 1 214.696 2.164 10 0 BEAEMO C[C@@H]([NH2+]Cc1csc(Cl)n1)[C@@H]1CCCO1 ZINC000290035986 175907436 /nfs/dbraw/zinc/90/74/36/175907436.db2.gz NRSJPBBAEPGAFL-APPZFPTMSA-N 1 1 246.763 2.454 10 0 BEAEMO C[C@@H](c1cccc(N)c1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000104136973 176018072 /nfs/dbraw/zinc/01/80/72/176018072.db2.gz IPDIIXLJKJMVNY-LBPRGKRZSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1cccc(N)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000104136973 176018074 /nfs/dbraw/zinc/01/80/74/176018074.db2.gz IPDIIXLJKJMVNY-LBPRGKRZSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1cccc(N)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104136973 176018076 /nfs/dbraw/zinc/01/80/76/176018076.db2.gz IPDIIXLJKJMVNY-LBPRGKRZSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CCCC1 ZINC000040216770 176023274 /nfs/dbraw/zinc/02/32/74/176023274.db2.gz FBKDBTRGXLWNHD-JSGCOSHPSA-N 1 1 218.344 2.213 10 0 BEAEMO C[C@@H](c1ccco1)[N@H+]1CCCC[C@@H]1CO ZINC000095089115 176033312 /nfs/dbraw/zinc/03/33/12/176033312.db2.gz KNVFRZBZYOLLJH-WDEREUQCSA-N 1 1 209.289 2.187 10 0 BEAEMO C[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1CO ZINC000074147800 176033720 /nfs/dbraw/zinc/03/37/20/176033720.db2.gz FOSBXQVJASKAAC-VHSXEESVSA-N 1 1 211.330 2.266 10 0 BEAEMO C[C@@H](c1nccs1)N(C)CC1CC[NH2+]CC1 ZINC000086701690 176038882 /nfs/dbraw/zinc/03/88/82/176038882.db2.gz YXWZABUMFGYPHJ-JTQLQIEISA-N 1 1 239.388 2.136 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1CCCNCC(F)(F)F ZINC000020047769 176071940 /nfs/dbraw/zinc/07/19/40/176071940.db2.gz KWEFWYIMDPASPB-SNVBAGLBSA-N 1 1 238.297 2.403 10 0 BEAEMO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnsc1N ZINC000050816842 176078909 /nfs/dbraw/zinc/07/89/09/176078909.db2.gz MVSYBFUBZOAUBP-SCZZXKLOSA-N 1 1 240.376 2.131 10 0 BEAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnsc1N ZINC000050816842 176078910 /nfs/dbraw/zinc/07/89/10/176078910.db2.gz MVSYBFUBZOAUBP-SCZZXKLOSA-N 1 1 240.376 2.131 10 0 BEAEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCCC[C@@H]2N)C1 ZINC000023071849 176103059 /nfs/dbraw/zinc/10/30/59/176103059.db2.gz IWBFIUDYUWGFOR-FRRDWIJNSA-N 1 1 210.365 2.378 10 0 BEAEMO C[C@@H]1CC[N@H+](C2(CN)CCSCC2)[C@H](C)C1 ZINC000051730373 176166684 /nfs/dbraw/zinc/16/66/84/176166684.db2.gz WYDSVEPVRYIWOO-VXGBXAGGSA-N 1 1 242.432 2.331 10 0 BEAEMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC2(O)CC2)C1 ZINC000336561208 176168214 /nfs/dbraw/zinc/16/82/14/176168214.db2.gz CUSRLDYKDPQMFX-VXGBXAGGSA-N 1 1 211.349 2.269 10 0 BEAEMO C[C@@H]1CC[N@H+](CC2(CN)CCCCC2)C1 ZINC000051249962 176168356 /nfs/dbraw/zinc/16/83/56/176168356.db2.gz DOZWUAMBRFMSNE-GFCCVEGCSA-N 1 1 210.365 2.237 10 0 BEAEMO C[C@@H]1CC[N@@H+](CC2(CN)CCCCC2)C1 ZINC000051249962 176168357 /nfs/dbraw/zinc/16/83/57/176168357.db2.gz DOZWUAMBRFMSNE-GFCCVEGCSA-N 1 1 210.365 2.237 10 0 BEAEMO C[C@@H]1CC[N@H+](Cc2ccc(CN)o2)[C@H](C)C1 ZINC000052509985 176173890 /nfs/dbraw/zinc/17/38/90/176173890.db2.gz NQPKOEHWWUUCGV-GHMZBOCLSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@@H]1CC[N@@H+](Cc2ccc(CN)o2)[C@H](C)C1 ZINC000052509985 176173892 /nfs/dbraw/zinc/17/38/92/176173892.db2.gz NQPKOEHWWUUCGV-GHMZBOCLSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@@H]1CC[N@@H+]([C@@H](CN)c2ccsc2)C1 ZINC000042278867 176180650 /nfs/dbraw/zinc/18/06/50/176180650.db2.gz DLEBKCRWGSRUFA-KOLCDFICSA-N 1 1 210.346 2.090 10 0 BEAEMO C[C@@H]1CC[N@H+]([C@@H](CN)c2ccsc2)C1 ZINC000042278867 176180653 /nfs/dbraw/zinc/18/06/53/176180653.db2.gz DLEBKCRWGSRUFA-KOLCDFICSA-N 1 1 210.346 2.090 10 0 BEAEMO C[C@@H]1CC[N@@H+]([C@@H](CN)c2cccc(F)c2)C1 ZINC000042278837 176181005 /nfs/dbraw/zinc/18/10/05/176181005.db2.gz AHOKSVFUDDRJPY-MFKMUULPSA-N 1 1 222.307 2.167 10 0 BEAEMO C[C@@H]1CC[N@H+]([C@@H](CN)c2cccc(F)c2)C1 ZINC000042278837 176181006 /nfs/dbraw/zinc/18/10/06/176181006.db2.gz AHOKSVFUDDRJPY-MFKMUULPSA-N 1 1 222.307 2.167 10 0 BEAEMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC3(O)CCC3)C2)C1 ZINC000336034215 176218594 /nfs/dbraw/zinc/21/85/94/176218594.db2.gz HTKAJSBWXOEPRX-CHWSQXEVSA-N 1 1 223.360 2.414 10 0 BEAEMO C[C@@H]1CC[C@H](C[NH+]2CCC(c3ccn[nH]3)CC2)O1 ZINC000188579650 176224227 /nfs/dbraw/zinc/22/42/27/176224227.db2.gz GMJQRLGZOMEXHW-DGCLKSJQSA-N 1 1 249.358 2.157 10 0 BEAEMO C[C@@H]1CN([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987310 176315641 /nfs/dbraw/zinc/31/56/41/176315641.db2.gz CGPKWJIFCNYTEK-KWCYVHTRSA-N 1 1 246.354 2.179 10 0 BEAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCF ZINC000367211691 176323464 /nfs/dbraw/zinc/32/34/64/176323464.db2.gz MJRBMBDYQXSWDF-CHWSQXEVSA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCF ZINC000367211691 176323466 /nfs/dbraw/zinc/32/34/66/176323466.db2.gz MJRBMBDYQXSWDF-CHWSQXEVSA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCCCF ZINC000367211691 176323467 /nfs/dbraw/zinc/32/34/67/176323467.db2.gz MJRBMBDYQXSWDF-CHWSQXEVSA-N 1 1 228.355 2.295 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(O)c1 ZINC000245958142 176324559 /nfs/dbraw/zinc/32/45/59/176324559.db2.gz UKDKJLAHJWLIGH-OCCSQVGLSA-N 1 1 246.354 2.061 10 0 BEAEMO C[C@@H]1C[NH2+]CCN(CCCc2ccccc2)C1 ZINC000049662213 176325347 /nfs/dbraw/zinc/32/53/47/176325347.db2.gz TVIDWWTYUFPIQP-CQSZACIVSA-N 1 1 232.371 2.161 10 0 BEAEMO C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC000035776828 176336899 /nfs/dbraw/zinc/33/68/99/176336899.db2.gz IXQLOFURIDBHHM-GFCCVEGCSA-N 1 1 246.354 2.265 10 0 BEAEMO C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC000035776828 176336900 /nfs/dbraw/zinc/33/69/00/176336900.db2.gz IXQLOFURIDBHHM-GFCCVEGCSA-N 1 1 246.354 2.265 10 0 BEAEMO C[C@@H]1C[C@@H]([NH2+]CCc2ccsc2)CCN1C ZINC000122954129 176376899 /nfs/dbraw/zinc/37/68/99/176376899.db2.gz TYJWKBLICMHHOE-YPMHNXCESA-N 1 1 238.400 2.363 10 0 BEAEMO C[C@H]([C@H]([NH3+])c1ccccc1)N1CCCC1 ZINC000022564797 177030654 /nfs/dbraw/zinc/03/06/54/177030654.db2.gz MNFCLYMKKNXXHS-YPMHNXCESA-N 1 1 204.317 2.171 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@H+](C)Cc1nccn1C ZINC000062247140 177036992 /nfs/dbraw/zinc/03/69/92/177036992.db2.gz IRQGHMLJVLKVJE-LLVKDONJSA-N 1 1 244.342 2.195 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)Cc1nccn1C ZINC000062247140 177036993 /nfs/dbraw/zinc/03/69/93/177036993.db2.gz IRQGHMLJVLKVJE-LLVKDONJSA-N 1 1 244.342 2.195 10 0 BEAEMO C[C@H](c1ccco1)N1CCC[C@@H](C[NH3+])C1 ZINC000100256826 177048533 /nfs/dbraw/zinc/04/85/33/177048533.db2.gz QIXMJKHXVYDBKK-MNOVXSKESA-N 1 1 208.305 2.011 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@H]2C[C@@H](C)CCC2=O)C[C@H](C)O1 ZINC000053925118 177068685 /nfs/dbraw/zinc/06/86/85/177068685.db2.gz OEZTUDVIXGAWGE-WUHRBBMRSA-N 1 1 239.359 2.101 10 0 BEAEMO C[C@H]1CCCC[N@H+]1CCCNCC(F)(F)F ZINC000020047771 177074493 /nfs/dbraw/zinc/07/44/93/177074493.db2.gz KWEFWYIMDPASPB-JTQLQIEISA-N 1 1 238.297 2.403 10 0 BEAEMO C[C@H]1CCCC[N@H+]1CCNCc1ccco1 ZINC000048326821 177074859 /nfs/dbraw/zinc/07/48/59/177074859.db2.gz CBSLLBUIYTZLIE-LBPRGKRZSA-N 1 1 222.332 2.244 10 0 BEAEMO C[C@H]1CCCCN1CC[NH2+]Cc1ccco1 ZINC000048326821 177074860 /nfs/dbraw/zinc/07/48/60/177074860.db2.gz CBSLLBUIYTZLIE-LBPRGKRZSA-N 1 1 222.332 2.244 10 0 BEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1(CN)CCOCC1 ZINC000042606720 177086645 /nfs/dbraw/zinc/08/66/45/177086645.db2.gz NWYUYCAJYRMMJT-QWHCGFSZSA-N 1 1 240.391 2.005 10 0 BEAEMO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cc(CN)no1 ZINC000052546784 177087150 /nfs/dbraw/zinc/08/71/50/177087150.db2.gz PAPRFCMAHHTBNA-GXFFZTMASA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(CN)no1 ZINC000052546784 177087151 /nfs/dbraw/zinc/08/71/51/177087151.db2.gz PAPRFCMAHHTBNA-GXFFZTMASA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnsc1N ZINC000050816846 177087305 /nfs/dbraw/zinc/08/73/05/177087305.db2.gz MVSYBFUBZOAUBP-WCBMZHEXSA-N 1 1 240.376 2.131 10 0 BEAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnsc1N ZINC000050816846 177087309 /nfs/dbraw/zinc/08/73/09/177087309.db2.gz MVSYBFUBZOAUBP-WCBMZHEXSA-N 1 1 240.376 2.131 10 0 BEAEMO C[C@H]1CCC[N@H+]1CCc1ccccc1O ZINC000029131285 177108862 /nfs/dbraw/zinc/10/88/62/177108862.db2.gz XLLMSPMZEFQVLD-NSHDSACASA-N 1 1 205.301 2.419 10 0 in-vivo BEAEMO C[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](CN)C1 ZINC000224844299 177158452 /nfs/dbraw/zinc/15/84/52/177158452.db2.gz FNGZXSRZGZLRFZ-WCQYABFASA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@H]1CC[N@@H+](CCC2(O)CC2)CC12CCC2 ZINC000336328576 177158643 /nfs/dbraw/zinc/15/86/43/177158643.db2.gz VBHFFYGBGCCNJI-LBPRGKRZSA-N 1 1 223.360 2.414 10 0 BEAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN[C@@H](C)CC1 ZINC000044417877 177161573 /nfs/dbraw/zinc/16/15/73/177161573.db2.gz LEYIZWFTLCZGQT-HZSPNIEDSA-N 1 1 224.392 2.497 10 0 BEAEMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(CN)o1 ZINC000052509987 177164178 /nfs/dbraw/zinc/16/41/78/177164178.db2.gz NQPKOEHWWUUCGV-WDEREUQCSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(CN)o1 ZINC000052509987 177164180 /nfs/dbraw/zinc/16/41/80/177164180.db2.gz NQPKOEHWWUUCGV-WDEREUQCSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cccc(F)c1 ZINC000044412937 177188930 /nfs/dbraw/zinc/18/89/30/177188930.db2.gz XIPMFJXMWYKXRY-AAEUAGOBSA-N 1 1 236.334 2.385 10 0 BEAEMO C[C@H]1CN(C/C=C/c2ccccc2)CC[C@@H]1[NH3+] ZINC000094342203 177241241 /nfs/dbraw/zinc/24/12/41/177241241.db2.gz YMPMBDKWTYYQOB-MNOINKQASA-N 1 1 230.355 2.369 10 0 BEAEMO C[C@H]1C[N@H+](CCc2ccccc2)C(C)(C)CN1 ZINC000062615677 177253670 /nfs/dbraw/zinc/25/36/70/177253670.db2.gz RPZKJNIIIBIJKS-ZDUSSCGKSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@H]1C[N@@H+](CCc2ccccc2)C(C)(C)CN1 ZINC000062615677 177253671 /nfs/dbraw/zinc/25/36/71/177253671.db2.gz RPZKJNIIIBIJKS-ZDUSSCGKSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@H]1C[NH+](Cc2ccc(N)c(F)c2)C[C@H](C)O1 ZINC000063011159 177263893 /nfs/dbraw/zinc/26/38/93/177263893.db2.gz SIJHJSYAHSURFP-UWVGGRQHSA-N 1 1 238.306 2.017 10 0 BEAEMO C[C@@H](c1ccccc1)N1CCC[NH2+][C@@H](C)C1 ZINC000062609104 177274069 /nfs/dbraw/zinc/27/40/69/177274069.db2.gz GLJUBZMTNAQDNG-STQMWFEESA-N 1 1 218.344 2.431 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083550726 177280378 /nfs/dbraw/zinc/28/03/78/177280378.db2.gz WHGZXGFIICZOAB-SWLSCSKDSA-N 1 1 248.345 2.494 10 0 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248.370 2.205 10 0 BEAEMO CCCCC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961129 538908282 /nfs/dbraw/zinc/90/82/82/538908282.db2.gz CEGFIUUZEOVKAQ-AWEZNQCLSA-N 1 1 248.370 2.205 10 0 BEAEMO CC(C)C1([N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000685961310 538908318 /nfs/dbraw/zinc/90/83/18/538908318.db2.gz QCVONKCUUKOXPW-ZDUSSCGKSA-N 1 1 224.392 2.497 10 0 BEAEMO CC(C)C1([N@@H+]2CCC[C@H](C)C2)CCNCC1 ZINC000685961310 538908320 /nfs/dbraw/zinc/90/83/20/538908320.db2.gz QCVONKCUUKOXPW-ZDUSSCGKSA-N 1 1 224.392 2.497 10 0 BEAEMO CC(C)C1([N@H+]2CCC[C@H](C)C2)CCNCC1 ZINC000685961310 538908322 /nfs/dbraw/zinc/90/83/22/538908322.db2.gz QCVONKCUUKOXPW-ZDUSSCGKSA-N 1 1 224.392 2.497 10 0 BEAEMO CC[C@H](C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961402 538908622 /nfs/dbraw/zinc/90/86/22/538908622.db2.gz HPZTZJKEQFPDGX-JSGCOSHPSA-N 1 1 248.370 2.061 10 0 BEAEMO CC[C@H](C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961402 538908625 /nfs/dbraw/zinc/90/86/25/538908625.db2.gz HPZTZJKEQFPDGX-JSGCOSHPSA-N 1 1 248.370 2.061 10 0 BEAEMO CCC(CC)(CC)[NH2+]CCCN(C)C ZINC000122205817 168317959 /nfs/dbraw/zinc/31/79/59/168317959.db2.gz QGXFCDQKZZIYNR-UHFFFAOYSA-N 1 1 200.370 2.497 10 0 BEAEMO C[N@@H+]1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616588696 349498132 /nfs/dbraw/zinc/49/81/32/349498132.db2.gz STXZOEFMZPPCAO-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616588696 349498135 /nfs/dbraw/zinc/49/81/35/349498135.db2.gz STXZOEFMZPPCAO-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO Cc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)on1 ZINC000227704193 178007811 /nfs/dbraw/zinc/00/78/11/178007811.db2.gz ZUDUXFXBBWLIJM-CHWSQXEVSA-N 1 1 249.358 2.042 10 0 BEAEMO C[N@@H+](Cc1nccs1)C[C@@H]1CCC[C@H](O)C1 ZINC000390155748 398164513 /nfs/dbraw/zinc/16/45/13/398164513.db2.gz WMNNTZXVYJAHBW-MNOVXSKESA-N 1 1 240.372 2.126 10 0 BEAEMO C[N@H+](Cc1nccs1)C[C@@H]1CCC[C@H](O)C1 ZINC000390155748 398164517 /nfs/dbraw/zinc/16/45/17/398164517.db2.gz WMNNTZXVYJAHBW-MNOVXSKESA-N 1 1 240.372 2.126 10 0 BEAEMO C[C@@H]1CCCN([C@H](C[NH3+])c2ccccc2)C1 ZINC000252134463 398186284 /nfs/dbraw/zinc/18/62/84/398186284.db2.gz LHQTWACZUTUCKS-TZMCWYRMSA-N 1 1 218.344 2.418 10 0 BEAEMO Cc1cc(F)ccc1N[C@H]1CC[N@H+](C)C1 ZINC000061984674 178090439 /nfs/dbraw/zinc/09/04/39/178090439.db2.gz GOICFBFRLWURIG-NSHDSACASA-N 1 1 208.280 2.250 10 0 BEAEMO Cc1cc(N(C)C)[nH+]c2ccc(N)cc12 ZINC000049452834 178097162 /nfs/dbraw/zinc/09/71/62/178097162.db2.gz LWXOOSVXJVBNRT-UHFFFAOYSA-N 1 1 201.273 2.191 10 0 BEAEMO Cc1cc(N)ccc1[N@H+](C)C1CCOCC1 ZINC000057606625 178105346 /nfs/dbraw/zinc/10/53/46/178105346.db2.gz VBDAHWISADBAIV-UHFFFAOYSA-N 1 1 220.316 2.192 10 0 BEAEMO Cc1cc(N)ccc1[N@@H+](C)C1CCOCC1 ZINC000057606625 178105348 /nfs/dbraw/zinc/10/53/48/178105348.db2.gz VBDAHWISADBAIV-UHFFFAOYSA-N 1 1 220.316 2.192 10 0 BEAEMO CC[C@@H](NC[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000386271743 398204413 /nfs/dbraw/zinc/20/44/13/398204413.db2.gz ZUZNXYYQDJKHEM-GHMZBOCLSA-N 1 1 239.388 2.278 10 0 BEAEMO CC[C@@H](NC[C@H]1CCC[N@H+]1C)c1nccs1 ZINC000386271743 398204415 /nfs/dbraw/zinc/20/44/15/398204415.db2.gz ZUZNXYYQDJKHEM-GHMZBOCLSA-N 1 1 239.388 2.278 10 0 BEAEMO Cc1c[nH+]c(N)c([C@@H]2CCCC(=O)C2)c1 ZINC000070737710 361748521 /nfs/dbraw/zinc/74/85/21/361748521.db2.gz VWZKDMWEWLLEME-SECBINFHSA-N 1 1 204.273 2.199 10 0 BEAEMO Cc1[nH+]ccn1CCOc1ccc(N)c(C)c1 ZINC000049329251 178210576 /nfs/dbraw/zinc/21/05/76/178210576.db2.gz AKHFCPAFLNAWIQ-UHFFFAOYSA-N 1 1 231.299 2.161 10 0 BEAEMO C[C@H]1C[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000380085519 488173796 /nfs/dbraw/zinc/17/37/96/488173796.db2.gz LNFIKCVJUDHDMQ-YVECIDJPSA-N 1 1 211.349 2.125 10 0 BEAEMO Cc1cc([C@H](CN)[NH+]2CCCC2)c(C)s1 ZINC000049687165 178261177 /nfs/dbraw/zinc/26/11/77/178261177.db2.gz CKSBZDPTQAJAJQ-LBPRGKRZSA-N 1 1 224.373 2.461 10 0 BEAEMO CCC(CC)[N@@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036788474 168367281 /nfs/dbraw/zinc/36/72/81/168367281.db2.gz CNEBWMUNOUCFST-UHFFFAOYSA-N 1 1 249.358 2.328 10 0 BEAEMO Cc1ccc(-c2nnc([C@H](C)[NH3+])o2)cc1F ZINC000050284109 178340506 /nfs/dbraw/zinc/34/05/06/178340506.db2.gz AYZDLBAFJQCWFF-ZETCQYMHSA-N 1 1 221.235 2.204 10 0 BEAEMO CCC(CC)[N@@H+](CCO)[C@H]1CCCCCC1=O ZINC000042499916 168374050 /nfs/dbraw/zinc/37/40/50/168374050.db2.gz RGTZXPMNAGMKBD-ZDUSSCGKSA-N 1 1 241.375 2.371 10 0 BEAEMO CCC(CC)[N@@H+](CCO)Cc1ccccc1N ZINC000042483372 168374194 /nfs/dbraw/zinc/37/41/94/168374194.db2.gz OKICGOYYNRGYNC-UHFFFAOYSA-N 1 1 236.359 2.252 10 0 BEAEMO CC[N@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616612715 349581123 /nfs/dbraw/zinc/58/11/23/349581123.db2.gz HSDGFQXAUHAAKT-LLVKDONJSA-N 1 1 227.311 2.439 10 0 BEAEMO C[N@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616613066 349605549 /nfs/dbraw/zinc/60/55/49/349605549.db2.gz KOQIEQCTNFSGQK-SNVBAGLBSA-N 1 1 213.284 2.049 10 0 BEAEMO C[C@H](Nc1ccc(N)c[nH+]1)c1ccccn1 ZINC000035694716 342756334 /nfs/dbraw/zinc/75/63/34/342756334.db2.gz KSFVCYOYNCBRSZ-VIFPVBQESA-N 1 1 214.272 2.232 10 0 BEAEMO [NH3+][C@H](Cc1ccccc1Cl)C(F)F ZINC000214681677 342770043 /nfs/dbraw/zinc/77/00/43/342770043.db2.gz ABDLSPXLHBJAPL-MRVPVSSYSA-N 1 1 205.635 2.475 10 0 BEAEMO CCN1CC[N@@H+](C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255221 342795177 /nfs/dbraw/zinc/79/51/77/342795177.db2.gz CGDOSHBKKLEQKC-NWDGAFQWSA-N 1 1 246.345 2.448 10 0 BEAEMO CC[N@@H+]1CCN(C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255221 342795178 /nfs/dbraw/zinc/79/51/78/342795178.db2.gz CGDOSHBKKLEQKC-NWDGAFQWSA-N 1 1 246.345 2.448 10 0 BEAEMO CC[N@H+]1CCN(C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255221 342795180 /nfs/dbraw/zinc/79/51/80/342795180.db2.gz CGDOSHBKKLEQKC-NWDGAFQWSA-N 1 1 246.345 2.448 10 0 BEAEMO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)o1 ZINC000634582370 342798097 /nfs/dbraw/zinc/79/80/97/342798097.db2.gz QNXMCABZZROOLE-QWRGUYRKSA-N 1 1 238.331 2.449 10 0 BEAEMO C[C@H]1CCN1c1cc[nH+]cc1Br ZINC000126992722 342811621 /nfs/dbraw/zinc/81/16/21/342811621.db2.gz KXXYMEOXHDEBMD-ZETCQYMHSA-N 1 1 227.105 2.443 10 0 BEAEMO CC1(C)C[N@H+]([C@@H]2CCOC2)CC2(CCCC2)O1 ZINC000336437654 342805886 /nfs/dbraw/zinc/80/58/86/342805886.db2.gz RWXDKTREKOYLFN-GFCCVEGCSA-N 1 1 239.359 2.199 10 0 BEAEMO Cc1cccc([C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000044129529 538986438 /nfs/dbraw/zinc/98/64/38/538986438.db2.gz KILKTGYNWFXKOG-ZDUSSCGKSA-N 1 1 205.301 2.123 10 0 BEAEMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000381466789 539001385 /nfs/dbraw/zinc/00/13/85/539001385.db2.gz MTOCUOPYIYLJQA-KOLCDFICSA-N 1 1 239.750 2.487 10 0 BEAEMO CC[N@H+]1C[C@H](N[C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739424 539006464 /nfs/dbraw/zinc/00/64/64/539006464.db2.gz ORCCGOZKFQTYCP-SRVKXCTJSA-N 1 1 222.332 2.270 10 0 BEAEMO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739424 539006465 /nfs/dbraw/zinc/00/64/65/539006465.db2.gz ORCCGOZKFQTYCP-SRVKXCTJSA-N 1 1 222.332 2.270 10 0 BEAEMO CC1CCC(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)CC1 ZINC000193606231 539006845 /nfs/dbraw/zinc/00/68/45/539006845.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 1 1 236.403 2.306 10 0 BEAEMO CC1CCC(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)CC1 ZINC000193606231 539006847 /nfs/dbraw/zinc/00/68/47/539006847.db2.gz VPZVOASPNQSTQN-ZMYVRHLSSA-N 1 1 236.403 2.306 10 0 BEAEMO Cc1nc(C[NH2+]Cc2cc[nH]c2)sc1C ZINC000086255569 259326053 /nfs/dbraw/zinc/32/60/53/259326053.db2.gz UBUZAJBRPCVOJY-UHFFFAOYSA-N 1 1 221.329 2.378 10 0 BEAEMO Cn1cccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979365 398304111 /nfs/dbraw/zinc/30/41/11/398304111.db2.gz GFFHVKIIEUQWBM-UONOGXRCSA-N 1 1 234.343 2.169 10 0 BEAEMO CC[C@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000036169905 342894430 /nfs/dbraw/zinc/89/44/30/342894430.db2.gz QKUZXINKXBMKQA-QWHCGFSZSA-N 1 1 212.381 2.482 10 0 BEAEMO CC[C@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000036169905 342894432 /nfs/dbraw/zinc/89/44/32/342894432.db2.gz QKUZXINKXBMKQA-QWHCGFSZSA-N 1 1 212.381 2.482 10 0 BEAEMO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000167341233 136245665 /nfs/dbraw/zinc/24/56/65/136245665.db2.gz AYGWJNLOXCBQPV-RQJABVFESA-N 1 1 222.376 2.201 10 0 BEAEMO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000167341233 136245666 /nfs/dbraw/zinc/24/56/66/136245666.db2.gz AYGWJNLOXCBQPV-RQJABVFESA-N 1 1 222.376 2.201 10 0 BEAEMO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000167341233 136245667 /nfs/dbraw/zinc/24/56/67/136245667.db2.gz AYGWJNLOXCBQPV-RQJABVFESA-N 1 1 222.376 2.201 10 0 BEAEMO CCCC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105804289 398325379 /nfs/dbraw/zinc/32/53/79/398325379.db2.gz CAGRSUSETLBDIG-CYBMUJFWSA-N 1 1 248.374 2.177 10 0 BEAEMO CC[C@](C)(O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000123445176 398338135 /nfs/dbraw/zinc/33/81/35/398338135.db2.gz ZPYXBIMEKSJTLY-AWEZNQCLSA-N 1 1 239.334 2.461 10 0 BEAEMO CCCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246389630 398330967 /nfs/dbraw/zinc/33/09/67/398330967.db2.gz ATFICSAHQJDBCD-QWHCGFSZSA-N 1 1 211.349 2.414 10 0 BEAEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000335598230 398341782 /nfs/dbraw/zinc/34/17/82/398341782.db2.gz VSNDFPRJNZWEPE-JQWIXIFHSA-N 1 1 246.310 2.173 10 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BEAEMO Cc1cccc(OCC[N@@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000295093507 179167022 /nfs/dbraw/zinc/16/70/22/179167022.db2.gz AHARWPSWWKWASW-ZFWWWQNUSA-N 1 1 249.354 2.219 10 0 BEAEMO Cc1cccc(OCC[C@@](C)(CN)[NH+](C)C)c1 ZINC000019667656 179169206 /nfs/dbraw/zinc/16/92/06/179169206.db2.gz LDQHQVICIPLZSP-AWEZNQCLSA-N 1 1 236.359 2.043 10 0 BEAEMO Cc1cccc([C@H]([NH3+])c2noc(C3CC3)n2)c1 ZINC000036764251 179199925 /nfs/dbraw/zinc/19/99/25/179199925.db2.gz NHHDEZGXZMSFGI-NSHDSACASA-N 1 1 229.283 2.304 10 0 BEAEMO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCCC2)c1 ZINC000042965335 179203550 /nfs/dbraw/zinc/20/35/50/179203550.db2.gz UUKCLRCTMQHDLJ-OCCSQVGLSA-N 1 1 218.344 2.479 10 0 BEAEMO N[C@H](CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349139 347352466 /nfs/dbraw/zinc/35/24/66/347352466.db2.gz DPXXYMQUWQIWCM-CYBMUJFWSA-N 1 1 249.314 2.081 10 0 BEAEMO Cc1ccccc1CN1CCC[NH2+]CCC1 ZINC000049666764 179273577 /nfs/dbraw/zinc/27/35/77/179273577.db2.gz SPJGSIMDLQRXKX-UHFFFAOYSA-N 1 1 218.344 2.180 10 0 BEAEMO Cc1ccccc1CN1CC[NH2+]C[C@@H](C)C1 ZINC000049662204 179274598 /nfs/dbraw/zinc/27/45/98/179274598.db2.gz MMEMAFLJDQGNDA-GFCCVEGCSA-N 1 1 218.344 2.036 10 0 BEAEMO Cc1ccccc1[C@@H]1C[N@@H+](C2CC2)CCN1 ZINC000056894860 179329991 /nfs/dbraw/zinc/32/99/91/179329991.db2.gz MMXKCDKDRSLJLT-AWEZNQCLSA-N 1 1 216.328 2.104 10 0 BEAEMO Cc1ccccc1[C@@H]1C[N@H+](C2CC2)CCN1 ZINC000056894860 179329993 /nfs/dbraw/zinc/32/99/93/179329993.db2.gz MMXKCDKDRSLJLT-AWEZNQCLSA-N 1 1 216.328 2.104 10 0 BEAEMO OCC[N@H+]1CC[C@H](c2cncc3ccccc32)C1 ZINC000616613569 349983275 /nfs/dbraw/zinc/98/32/75/349983275.db2.gz LTXYKAYGJWSUJN-ZDUSSCGKSA-N 1 1 242.322 2.016 10 0 BEAEMO C[N@H+]1CC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616613551 349983415 /nfs/dbraw/zinc/98/34/15/349983415.db2.gz WDXAACSOFJATOS-GFCCVEGCSA-N 1 1 213.284 2.049 10 0 BEAEMO Cc1cccnc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094449768 179379412 /nfs/dbraw/zinc/37/94/12/179379412.db2.gz UZRBUSNCIVFJHW-UONOGXRCSA-N 1 1 245.370 2.059 10 0 BEAEMO Cc1ccc[nH+]c1N[C@@H]1CCCC[C@H]1O ZINC000052006222 179394502 /nfs/dbraw/zinc/39/45/02/179394502.db2.gz LDIAICVMRFWHQI-GHMZBOCLSA-N 1 1 206.289 2.105 10 0 BEAEMO Cc1ccc[nH+]c1N[C@H]1CCCC[C@@H]1O ZINC000052006212 179394529 /nfs/dbraw/zinc/39/45/29/179394529.db2.gz LDIAICVMRFWHQI-QWRGUYRKSA-N 1 1 206.289 2.105 10 0 BEAEMO Cc1ccc[nH+]c1N[C@@H]1CCCC[C@@H]1O ZINC000052006209 179394826 /nfs/dbraw/zinc/39/48/26/179394826.db2.gz LDIAICVMRFWHQI-MNOVXSKESA-N 1 1 206.289 2.105 10 0 BEAEMO C[C@@H]1CC[N@H+]([C@H](CN)c2cccs2)C1 ZINC000251813292 362928267 /nfs/dbraw/zinc/92/82/67/362928267.db2.gz YZGBRMQWPMUJNZ-NXEZZACHSA-N 1 1 210.346 2.090 10 0 BEAEMO C[C@@H]1CCN([C@H](C[NH3+])c2cccs2)C1 ZINC000251813292 362928272 /nfs/dbraw/zinc/92/82/72/362928272.db2.gz YZGBRMQWPMUJNZ-NXEZZACHSA-N 1 1 210.346 2.090 10 0 BEAEMO C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1O ZINC000037489584 348622530 /nfs/dbraw/zinc/62/25/30/348622530.db2.gz XHDOPRAORYBGNS-MNOVXSKESA-N 1 1 211.330 2.093 10 0 BEAEMO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000308881622 349017575 /nfs/dbraw/zinc/01/75/75/349017575.db2.gz QNCJLYODXVEFJF-GXSJLCMTSA-N 1 1 211.284 2.028 10 0 BEAEMO CCOC(=O)[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC000599328300 349157021 /nfs/dbraw/zinc/15/70/21/349157021.db2.gz XDHCQJNIDPPTCO-JTQLQIEISA-N 1 1 227.348 2.306 10 0 BEAEMO C[C@@H](CN1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000251139878 538036679 /nfs/dbraw/zinc/03/66/79/538036679.db2.gz WEAOVLDAAYJHKF-STQMWFEESA-N 1 1 224.392 2.449 10 0 BEAEMO C[C@@H](c1ccncc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251266746 538042214 /nfs/dbraw/zinc/04/22/14/538042214.db2.gz MVMIQTZTLIYTRI-ZFWWWQNUSA-N 1 1 245.370 2.313 10 0 BEAEMO C[N@@H+]1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616586019 349375033 /nfs/dbraw/zinc/37/50/33/349375033.db2.gz DRWQIVRSEQGTHO-ZDUSSCGKSA-N 1 1 214.268 2.252 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616586019 349375036 /nfs/dbraw/zinc/37/50/36/349375036.db2.gz DRWQIVRSEQGTHO-ZDUSSCGKSA-N 1 1 214.268 2.252 10 0 BEAEMO Cc1nc([C@@H]([NH3+])c2cccc(C)c2C)no1 ZINC000049796257 180040440 /nfs/dbraw/zinc/04/04/40/180040440.db2.gz JRNCQSPZKHSDPP-NSHDSACASA-N 1 1 217.272 2.043 10 0 BEAEMO Cc1nc([C@@H]([NH3+])c2cccnc2)sc1C ZINC000019929969 180040525 /nfs/dbraw/zinc/04/05/25/180040525.db2.gz TUSRSEWRNXAPEW-JTQLQIEISA-N 1 1 219.313 2.203 10 0 BEAEMO Cc1nc([C@H]([NH3+])c2ccc(C)c(C)c2)no1 ZINC000037180335 180053282 /nfs/dbraw/zinc/05/32/82/180053282.db2.gz PEKCWRWFEKNUMC-LLVKDONJSA-N 1 1 217.272 2.043 10 0 BEAEMO CSCCCC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000133590249 191041741 /nfs/dbraw/zinc/04/17/41/191041741.db2.gz QITPSGWTMHPDCZ-NEPJUHHUSA-N 1 1 230.421 2.202 10 0 BEAEMO CSCCCC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000133589985 191041883 /nfs/dbraw/zinc/04/18/83/191041883.db2.gz QITPSGWTMHPDCZ-NWDGAFQWSA-N 1 1 230.421 2.202 10 0 BEAEMO Cc1nccc(NCC[C@H](C)[NH3+])c1Cl ZINC000306207776 180199124 /nfs/dbraw/zinc/19/91/24/180199124.db2.gz DEYONSJOQYGLGQ-ZETCQYMHSA-N 1 1 213.712 2.193 10 0 BEAEMO 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/nfs/dbraw/zinc/81/68/24/350816824.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 1 1 208.309 2.130 10 0 BEAEMO CC(C)[N@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616601313 350782443 /nfs/dbraw/zinc/78/24/43/350782443.db2.gz NQGHAYYHQGAPIB-GFCCVEGCSA-N 1 1 219.332 2.455 10 0 BEAEMO CC(C)(C)[N@H+]1CCCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616603734 350789705 /nfs/dbraw/zinc/78/97/05/350789705.db2.gz HEJULMTZSVMXNX-JTQLQIEISA-N 1 1 236.363 2.190 10 0 BEAEMO CNc1cccc([C@@H]2CCC[N@H+](CCN)CC2)c1 ZINC000616602307 350791077 /nfs/dbraw/zinc/79/10/77/350791077.db2.gz XGWGJJYVQWNJCU-CYBMUJFWSA-N 1 1 247.386 2.257 10 0 BEAEMO CNc1cccc([C@@H]2CCC[N@@H+](CCN)CC2)c1 ZINC000616602307 350791080 /nfs/dbraw/zinc/79/10/80/350791080.db2.gz XGWGJJYVQWNJCU-CYBMUJFWSA-N 1 1 247.386 2.257 10 0 BEAEMO CC[N@H+]1CCN[C@H](c2nccc3ccccc32)C1 ZINC000616604661 350793331 /nfs/dbraw/zinc/79/33/31/350793331.db2.gz YFHAYLVZURWEME-AWEZNQCLSA-N 1 1 241.338 2.201 10 0 BEAEMO CCN1CC[NH2+][C@H](c2nccc3ccccc32)C1 ZINC000616604661 350793332 /nfs/dbraw/zinc/79/33/32/350793332.db2.gz YFHAYLVZURWEME-AWEZNQCLSA-N 1 1 241.338 2.201 10 0 BEAEMO CC[N@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616603861 350795418 /nfs/dbraw/zinc/79/54/18/350795418.db2.gz YJHFQYWYGDDUKG-LBPRGKRZSA-N 1 1 205.305 2.066 10 0 BEAEMO NCC[N@@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606592 350798050 /nfs/dbraw/zinc/79/80/50/350798050.db2.gz CYIBWFXUFNKQSR-OAHLLOKOSA-N 1 1 241.338 2.330 10 0 BEAEMO NCC[N@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606592 350798051 /nfs/dbraw/zinc/79/80/51/350798051.db2.gz CYIBWFXUFNKQSR-OAHLLOKOSA-N 1 1 241.338 2.330 10 0 BEAEMO CC[N@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616606999 350798824 /nfs/dbraw/zinc/79/88/24/350798824.db2.gz OAUCQBAVKIKYBW-AWEZNQCLSA-N 1 1 219.328 2.378 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccnnc1 ZINC000616608332 350804293 /nfs/dbraw/zinc/80/42/93/350804293.db2.gz SENABEAXUDADPG-NSHDSACASA-N 1 1 205.305 2.412 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616611544 350809114 /nfs/dbraw/zinc/80/91/14/350809114.db2.gz DCFQBMUKDXUBDZ-CQSZACIVSA-N 1 1 219.328 2.378 10 0 BEAEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccnnc2)C1 ZINC000616614548 350835635 /nfs/dbraw/zinc/83/56/35/350835635.db2.gz OOUKBSPVNUZPAH-LLVKDONJSA-N 1 1 205.305 2.064 10 0 BEAEMO CC[N@H+]1CCCC[C@H]1c1ccccc1C(N)=O ZINC000616615054 350844777 /nfs/dbraw/zinc/84/47/77/350844777.db2.gz ALVBSCJHSBYISD-ZDUSSCGKSA-N 1 1 232.327 2.332 10 0 BEAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1cnno1 ZINC000616615418 350847094 /nfs/dbraw/zinc/84/70/94/350847094.db2.gz JRZZOLPBLZXHJF-VIFPVBQESA-N 1 1 209.293 2.395 10 0 BEAEMO CNc1cccc([C@@H]2CCCC[N@H+]2CCO)c1 ZINC000616616473 350855876 /nfs/dbraw/zinc/85/58/76/350855876.db2.gz PSHGSZLTDHAUEJ-AWEZNQCLSA-N 1 1 234.343 2.248 10 0 BEAEMO CC[N@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000616617121 350862160 /nfs/dbraw/zinc/86/21/60/350862160.db2.gz HSBLESFHOQVVBA-LBPRGKRZSA-N 1 1 219.328 2.378 10 0 BEAEMO CC[N@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616617124 350862272 /nfs/dbraw/zinc/86/22/72/350862272.db2.gz IANZQMVFBBZQOO-HNNXBMFYSA-N 1 1 233.355 2.421 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616617216 350863351 /nfs/dbraw/zinc/86/33/51/350863351.db2.gz NOLKJDHROCINTB-GFCCVEGCSA-N 1 1 227.311 2.439 10 0 BEAEMO C[N@H+]1CCC[C@H](c2ccccc2CCO)C1 ZINC000616617285 350863505 /nfs/dbraw/zinc/86/35/05/350863505.db2.gz LRBJLQYIOCYIIY-ZDUSSCGKSA-N 1 1 219.328 2.031 10 0 BEAEMO CCON[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000306727929 350898426 /nfs/dbraw/zinc/89/84/26/350898426.db2.gz MZEFPICFRQAWPS-JSGCOSHPSA-N 1 1 234.343 2.191 10 0 BEAEMO C[C@H](NC1=[NH+][C@@H](C)CS1)C(C)(F)F ZINC000306729804 350899149 /nfs/dbraw/zinc/89/91/49/350899149.db2.gz DETYKLYXUNFBOB-WDSKDSINSA-N 1 1 208.277 2.111 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@H](c2cnno2)C1 ZINC000616618498 350915560 /nfs/dbraw/zinc/91/55/60/350915560.db2.gz XPKLYDNOSUIAAL-VIFPVBQESA-N 1 1 209.293 2.048 10 0 BEAEMO CC(C)(C)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000616619553 350927688 /nfs/dbraw/zinc/92/76/88/350927688.db2.gz NQXXXASHMQHQKW-UHFFFAOYSA-N 1 1 207.321 2.388 10 0 BEAEMO CC(C)[N@H+]1CCC[C@H](c2cccc(N)n2)C1 ZINC000616617670 350871915 /nfs/dbraw/zinc/87/19/15/350871915.db2.gz CDFFAKJVVKFFPU-NSHDSACASA-N 1 1 219.332 2.252 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000616617679 350872164 /nfs/dbraw/zinc/87/21/64/350872164.db2.gz CRPQXCNMELMILK-NSHDSACASA-N 1 1 219.332 2.455 10 0 BEAEMO C[N@@H+](C[C@H]1CCCCC1=O)[C@H]1CCSC1 ZINC000250400164 350880333 /nfs/dbraw/zinc/88/03/33/350880333.db2.gz MDXDUBOBLGZWTO-MNOVXSKESA-N 1 1 227.373 2.183 10 0 BEAEMO Nc1cc(C[NH+]2CCC2)ccc1Br ZINC000306758750 350967994 /nfs/dbraw/zinc/96/79/94/350967994.db2.gz VLGWLUMKLZNZDC-UHFFFAOYSA-N 1 1 241.132 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2cn[nH]c2)C1 ZINC000616621175 350987673 /nfs/dbraw/zinc/98/76/73/350987673.db2.gz PQTKOBIYPYILPY-SNVBAGLBSA-N 1 1 207.321 2.388 10 0 BEAEMO C[C@H]1CS[C@H](c2cc(O)cc(F)c2)[NH2+]1 ZINC000159776486 350999848 /nfs/dbraw/zinc/99/98/48/350999848.db2.gz XRPFUPPGALWBFA-QUBYGPBYSA-N 1 1 213.277 2.255 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000616621363 351036208 /nfs/dbraw/zinc/03/62/08/351036208.db2.gz RRHQOHZSFLUIDZ-LLVKDONJSA-N 1 1 219.332 2.455 10 0 BEAEMO Fc1cccc(CC2(F)C[NH2+]C2)c1Cl ZINC000159930496 351037935 /nfs/dbraw/zinc/03/79/35/351037935.db2.gz SFYKUKBBYLHMEN-UHFFFAOYSA-N 1 1 217.646 2.333 10 0 BEAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnc(C)o1 ZINC000398077630 362999482 /nfs/dbraw/zinc/99/94/82/362999482.db2.gz QHWGRQACTXTFRO-STQMWFEESA-N 1 1 249.358 2.042 10 0 BEAEMO CC[N@H+]1CCC[C@H](c2cncnc2)CC1 ZINC000616626839 351106894 /nfs/dbraw/zinc/10/68/94/351106894.db2.gz CFWFDDDEKFZSRO-NSHDSACASA-N 1 1 205.305 2.066 10 0 BEAEMO OCC[N@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616632238 351111636 /nfs/dbraw/zinc/11/16/36/351111636.db2.gz LGRLNEJQZDGETF-OAHLLOKOSA-N 1 1 242.322 2.364 10 0 BEAEMO c1ccc(C[N@H+]2CC[C@H](c3cccnn3)C2)cc1 ZINC000616634479 351117106 /nfs/dbraw/zinc/11/71/06/351117106.db2.gz RLXLWZNFIRQRIN-AWEZNQCLSA-N 1 1 239.322 2.466 10 0 BEAEMO CC[N@@H+]1CCNC[C@H]1c1ccc2ncccc2c1 ZINC000616636540 351126739 /nfs/dbraw/zinc/12/67/39/351126739.db2.gz DIPJZOHAIVJRPC-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 BEAEMO CC[N@H+]1CCNC[C@H]1c1ccc2ncccc2c1 ZINC000616636540 351126742 /nfs/dbraw/zinc/12/67/42/351126742.db2.gz DIPJZOHAIVJRPC-HNNXBMFYSA-N 1 1 241.338 2.201 10 0 BEAEMO COc1cccc([C@H]2COCC[N@@H+]2C(C)C)c1 ZINC000616636271 351124594 /nfs/dbraw/zinc/12/45/94/351124594.db2.gz CSCAJCFFJWIJBE-CQSZACIVSA-N 1 1 235.327 2.477 10 0 BEAEMO COc1cccc([C@H]2COCC[N@H+]2C(C)C)c1 ZINC000616636271 351124595 /nfs/dbraw/zinc/12/45/95/351124595.db2.gz CSCAJCFFJWIJBE-CQSZACIVSA-N 1 1 235.327 2.477 10 0 BEAEMO CC[N@H+]1CCCCC[C@@H]1c1ncccn1 ZINC000616624359 351091722 /nfs/dbraw/zinc/09/17/22/351091722.db2.gz ZDTNFJZNGHYLSA-LLVKDONJSA-N 1 1 205.305 2.414 10 0 BEAEMO NCC[N@@H+]1CCCCC[C@@H]1c1ccc(N)cc1 ZINC000616624789 351092912 /nfs/dbraw/zinc/09/29/12/351092912.db2.gz RJGXJDPXAQECKR-CQSZACIVSA-N 1 1 233.359 2.145 10 0 BEAEMO NCC[N@H+]1CCCCC[C@@H]1c1ccc(N)cc1 ZINC000616624789 351092914 /nfs/dbraw/zinc/09/29/14/351092914.db2.gz RJGXJDPXAQECKR-CQSZACIVSA-N 1 1 233.359 2.145 10 0 BEAEMO NCC[N@@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625674 351094623 /nfs/dbraw/zinc/09/46/23/351094623.db2.gz SXNFNGDOCIUOGQ-HNNXBMFYSA-N 1 1 248.370 2.055 10 0 BEAEMO NCC[N@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625674 351094625 /nfs/dbraw/zinc/09/46/25/351094625.db2.gz SXNFNGDOCIUOGQ-HNNXBMFYSA-N 1 1 248.370 2.055 10 0 BEAEMO CNc1ccccc1[C@@H]1CCCC[N@H+](CCN)C1 ZINC000616628406 351097804 /nfs/dbraw/zinc/09/78/04/351097804.db2.gz KRRVAMNXDPOJAR-CYBMUJFWSA-N 1 1 247.386 2.257 10 0 BEAEMO CNc1ccccc1[C@@H]1CCCC[N@@H+](CCN)C1 ZINC000616628406 351097807 /nfs/dbraw/zinc/09/78/07/351097807.db2.gz KRRVAMNXDPOJAR-CYBMUJFWSA-N 1 1 247.386 2.257 10 0 BEAEMO CC(C)(C)[N@H+]1CCOC[C@H]1c1cccc(CO)c1 ZINC000616641149 351147660 /nfs/dbraw/zinc/14/76/60/351147660.db2.gz BMIYOIJZNXTOMG-AWEZNQCLSA-N 1 1 249.354 2.351 10 0 BEAEMO CC[N@@H+]1CCOC[C@H]1c1cccc(NC)c1 ZINC000616641152 351147664 /nfs/dbraw/zinc/14/76/64/351147664.db2.gz BNAULCMDDHCZIM-ZDUSSCGKSA-N 1 1 220.316 2.122 10 0 BEAEMO CC[N@H+]1CCOC[C@H]1c1cccc(NC)c1 ZINC000616641152 351147665 /nfs/dbraw/zinc/14/76/65/351147665.db2.gz BNAULCMDDHCZIM-ZDUSSCGKSA-N 1 1 220.316 2.122 10 0 BEAEMO C[N@@H+]1CCOC[C@H]1c1ccc2cnccc2c1 ZINC000616641518 351148343 /nfs/dbraw/zinc/14/83/43/351148343.db2.gz HKHRFYUVKJKBOS-AWEZNQCLSA-N 1 1 228.295 2.238 10 0 BEAEMO C[N@H+]1CCOC[C@H]1c1ccc2cnccc2c1 ZINC000616641518 351148344 /nfs/dbraw/zinc/14/83/44/351148344.db2.gz HKHRFYUVKJKBOS-AWEZNQCLSA-N 1 1 228.295 2.238 10 0 BEAEMO CC(C)[N@H+]1CCOC[C@H]1c1cccc(CCO)c1 ZINC000616641564 351149186 /nfs/dbraw/zinc/14/91/86/351149186.db2.gz IXPCMAMXOMCAMQ-HNNXBMFYSA-N 1 1 249.354 2.003 10 0 BEAEMO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccon1 ZINC000616655419 351192660 /nfs/dbraw/zinc/19/26/60/351192660.db2.gz DIDQBBCAJZLZCB-LLVKDONJSA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1ccon1 ZINC000616655419 351192662 /nfs/dbraw/zinc/19/26/62/351192662.db2.gz DIDQBBCAJZLZCB-LLVKDONJSA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccccc2N)C1 ZINC000616644668 351162127 /nfs/dbraw/zinc/16/21/27/351162127.db2.gz GYWASAJUDZUYFJ-CYBMUJFWSA-N 1 1 234.343 2.441 10 0 BEAEMO CC(C)[N@H+]1CCO[C@@H](c2cccc(N)c2)C1 ZINC000616645139 351166999 /nfs/dbraw/zinc/16/69/99/351166999.db2.gz NHZIMNANQZPJCC-CYBMUJFWSA-N 1 1 220.316 2.051 10 0 BEAEMO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccnc2)C1 ZINC000616645345 351167898 /nfs/dbraw/zinc/16/78/98/351167898.db2.gz PHVZPJNRBQWGRU-GFCCVEGCSA-N 1 1 220.316 2.253 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccnc2)C1 ZINC000616645345 351167902 /nfs/dbraw/zinc/16/79/02/351167902.db2.gz PHVZPJNRBQWGRU-GFCCVEGCSA-N 1 1 220.316 2.253 10 0 BEAEMO CC(C)[N@H+]1CCCOC[C@H]1c1ccc(N)cc1 ZINC000616645560 351168484 /nfs/dbraw/zinc/16/84/84/351168484.db2.gz OVQVKNJPKNIVTA-AWEZNQCLSA-N 1 1 234.343 2.441 10 0 BEAEMO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cocn1 ZINC000616646593 351171521 /nfs/dbraw/zinc/17/15/21/351171521.db2.gz YYDFYOUBFIHRMC-NSHDSACASA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1cocn1 ZINC000616646593 351171525 /nfs/dbraw/zinc/17/15/25/351171525.db2.gz YYDFYOUBFIHRMC-NSHDSACASA-N 1 1 224.304 2.237 10 0 BEAEMO CNc1ccccc1[C@@H]1COCCC[N@H+]1C ZINC000616650010 351173194 /nfs/dbraw/zinc/17/31/94/351173194.db2.gz UVLANEYQMLPOMJ-ZDUSSCGKSA-N 1 1 220.316 2.122 10 0 BEAEMO C[N@H+]1CCCOC[C@H]1c1cccc(F)c1 ZINC000616650101 351173573 /nfs/dbraw/zinc/17/35/73/351173573.db2.gz XCVUIWRTXSUTPZ-LBPRGKRZSA-N 1 1 209.264 2.219 10 0 BEAEMO CC(C)(C)[N@H+]1CCCO[C@H](c2cncnc2)C1 ZINC000616650039 351173612 /nfs/dbraw/zinc/17/36/12/351173612.db2.gz QTJLPGKZUSBORF-LBPRGKRZSA-N 1 1 235.331 2.039 10 0 BEAEMO CC(C)(C)[N@H+]1CCCO[C@@H](c2cncnc2)C1 ZINC000616653498 351193855 /nfs/dbraw/zinc/19/38/55/351193855.db2.gz QTJLPGKZUSBORF-GFCCVEGCSA-N 1 1 235.331 2.039 10 0 BEAEMO CC(C)(C)[N@H+]1CCCO[C@H](c2cccc(N)n2)C1 ZINC000616650349 351176534 /nfs/dbraw/zinc/17/65/34/351176534.db2.gz YHHXPSYTGFZEON-LBPRGKRZSA-N 1 1 249.358 2.226 10 0 BEAEMO CC(=O)Nc1ccc([C@H]2C[N@@H+](C)CCCO2)cc1 ZINC000616652515 351185161 /nfs/dbraw/zinc/18/51/61/351185161.db2.gz OKWFFWWFAPNPFQ-CQSZACIVSA-N 1 1 248.326 2.038 10 0 BEAEMO COc1cccc([C@@H]2CCCC[N@@H+](CCO)C2)c1 ZINC000616652018 351189985 /nfs/dbraw/zinc/18/99/85/351189985.db2.gz CRJNPLWLAYLQHQ-CQSZACIVSA-N 1 1 249.354 2.257 10 0 BEAEMO CC(C)(C)[N@H+]1CCCC[C@@H](n2ccc(N)n2)C1 ZINC000616654846 351190776 /nfs/dbraw/zinc/19/07/76/351190776.db2.gz OZODJPRMMZFHJB-LLVKDONJSA-N 1 1 236.363 2.121 10 0 BEAEMO CC[N@@H+]1CCOC[C@@H]1c1cccc2ccnnc21 ZINC000616636889 351130781 /nfs/dbraw/zinc/13/07/81/351130781.db2.gz HKYDIQDIVZSMID-CYBMUJFWSA-N 1 1 243.310 2.023 10 0 BEAEMO CC[N@H+]1CCOC[C@@H]1c1cccc2ccnnc21 ZINC000616636889 351130782 /nfs/dbraw/zinc/13/07/82/351130782.db2.gz HKYDIQDIVZSMID-CYBMUJFWSA-N 1 1 243.310 2.023 10 0 BEAEMO CNc1ccccc1[C@H]1CNCC[N@H+]1C(C)(C)C ZINC000616637574 351134188 /nfs/dbraw/zinc/13/41/88/351134188.db2.gz PFXOZIOBFYYJHB-CQSZACIVSA-N 1 1 247.386 2.473 10 0 BEAEMO CNc1ccccc1[C@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637574 351134191 /nfs/dbraw/zinc/13/41/91/351134191.db2.gz PFXOZIOBFYYJHB-CQSZACIVSA-N 1 1 247.386 2.473 10 0 BEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1cn[nH]c1 ZINC000616677056 351241675 /nfs/dbraw/zinc/24/16/75/351241675.db2.gz GXXFVYIZHIFCAY-AWEZNQCLSA-N 1 1 227.311 2.377 10 0 BEAEMO C[N@@H+]1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616680542 351247952 /nfs/dbraw/zinc/24/79/52/351247952.db2.gz YYSVFSHGDGTTJA-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616680542 351247955 /nfs/dbraw/zinc/24/79/55/351247955.db2.gz YYSVFSHGDGTTJA-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616678893 351249318 /nfs/dbraw/zinc/24/93/18/351249318.db2.gz OGTJORDHLMLTFG-HNNXBMFYSA-N 1 1 239.322 2.444 10 0 BEAEMO C[N@H+]1CCO[C@H](c2ccccc2F)CC1 ZINC000616686985 351257494 /nfs/dbraw/zinc/25/74/94/351257494.db2.gz OHXFXMZZECTCJX-LBPRGKRZSA-N 1 1 209.264 2.219 10 0 BEAEMO C[N@H+]1CCOC[C@H](c2ccc3ccccc3n2)C1 ZINC000616657228 351198283 /nfs/dbraw/zinc/19/82/83/351198283.db2.gz COGJNZGMFRHMQI-CYBMUJFWSA-N 1 1 242.322 2.280 10 0 BEAEMO C[N@H+]1CCOC[C@H](c2cccc(Cl)c2)C1 ZINC000616657189 351198390 /nfs/dbraw/zinc/19/83/90/351198390.db2.gz BLPREEKMHQPSCB-LLVKDONJSA-N 1 1 225.719 2.386 10 0 BEAEMO C[N@H+]1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616659642 351208221 /nfs/dbraw/zinc/20/82/21/351208221.db2.gz COGJNZGMFRHMQI-ZDUSSCGKSA-N 1 1 242.322 2.280 10 0 BEAEMO CC(C)[N@H+]1CCOC[C@@H](c2cccc(CO)c2)C1 ZINC000616660728 351213550 /nfs/dbraw/zinc/21/35/50/351213550.db2.gz NYXCJIKUXULWCR-HNNXBMFYSA-N 1 1 249.354 2.003 10 0 BEAEMO N[C@H](CC[NH3+])c1c(Cl)cccc1Cl ZINC000306917255 351328599 /nfs/dbraw/zinc/32/85/99/351328599.db2.gz XXAHEALOEZNDEA-MRVPVSSYSA-N 1 1 219.115 2.342 10 0 BEAEMO Cc1c[nH]c(N2CCC=C(Br)C2)[nH+]1 ZINC000404342597 351388657 /nfs/dbraw/zinc/38/86/57/351388657.db2.gz GMDBBDLXZZZKCA-UHFFFAOYSA-N 1 1 242.120 2.207 10 0 BEAEMO C[C@H](NC1=[NH+][C@@H](C)[C@H](C)S1)C(F)F ZINC000306979417 351397248 /nfs/dbraw/zinc/39/72/48/351397248.db2.gz OVBTUTNLTSAUKW-ZLUOBGJFSA-N 1 1 208.277 2.109 10 0 BEAEMO C[NH2+][C@@H](c1csc(C)n1)c1ccc[nH]1 ZINC000306935632 351360057 /nfs/dbraw/zinc/36/00/57/351360057.db2.gz HHTPSTGKTCPQMF-SNVBAGLBSA-N 1 1 207.302 2.088 10 0 BEAEMO O[C@H](C[NH+]1CCC1)c1sccc1Cl ZINC000307031886 351432524 /nfs/dbraw/zinc/43/25/24/351432524.db2.gz QTZUJCIUWODGRG-MRVPVSSYSA-N 1 1 217.721 2.141 10 0 BEAEMO C/C(=C\Cl)CN1C[C@H](C)[C@](C)(C[NH3+])C1 ZINC000307060271 351457937 /nfs/dbraw/zinc/45/79/37/351457937.db2.gz IZPRHUSWZDKHAP-LTJOXERKSA-N 1 1 216.756 2.046 10 0 BEAEMO C[C@H](C(N)=S)[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000252107724 363069400 /nfs/dbraw/zinc/06/94/00/363069400.db2.gz HHHHTPQUWZYPOS-BBBLOLIVSA-N 1 1 214.378 2.172 10 0 BEAEMO C[C@H](CC(N)=S)[N@H+]1CCCCC[C@H]1C ZINC000252124434 363130026 /nfs/dbraw/zinc/13/00/26/363130026.db2.gz JVXSQGNGZBHOHZ-NXEZZACHSA-N 1 1 214.378 2.316 10 0 BEAEMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC#N ZINC000307389792 352546664 /nfs/dbraw/zinc/54/66/64/352546664.db2.gz REVFNKVXSJVMRX-AWEZNQCLSA-N 1 1 243.354 2.358 10 0 BEAEMO CSC(C)(C)C[N@H+]1CCC(=O)C[C@H]1C ZINC000229113743 352586119 /nfs/dbraw/zinc/58/61/19/352586119.db2.gz GADQIWNRDHBEEB-SECBINFHSA-N 1 1 215.362 2.181 10 0 BEAEMO Nc1ccc(C[NH+]2CCC2)cc1Br ZINC000307588687 352660458 /nfs/dbraw/zinc/66/04/58/352660458.db2.gz YDZKNSHNNGZQKR-UHFFFAOYSA-N 1 1 241.132 2.237 10 0 BEAEMO CC(C)[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000319011030 538106100 /nfs/dbraw/zinc/10/61/00/538106100.db2.gz PJESMXHPGHOUCU-IUCAKERBSA-N 1 1 225.254 2.030 10 0 BEAEMO C1CCC(c2n[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC000041161699 187945801 /nfs/dbraw/zinc/94/58/01/187945801.db2.gz RVASTRFXVGIYHT-UHFFFAOYSA-N 1 1 234.347 2.319 10 0 BEAEMO C1CCC(c2nc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000041161699 187945803 /nfs/dbraw/zinc/94/58/03/187945803.db2.gz RVASTRFXVGIYHT-UHFFFAOYSA-N 1 1 234.347 2.319 10 0 BEAEMO O[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCCC2 ZINC000307720610 353110427 /nfs/dbraw/zinc/11/04/27/353110427.db2.gz PDWOFRYRKMPEFZ-CQSZACIVSA-N 1 1 231.339 2.424 10 0 BEAEMO CN(Cc1cccs1)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000223120503 353138300 /nfs/dbraw/zinc/13/83/00/353138300.db2.gz AMYKHTIYIGHFRH-NXEZZACHSA-N 1 1 210.346 2.060 10 0 BEAEMO C[C@H]1CCC[N@@H+]1[C@H](CN)c1ccsc1 ZINC000252194467 363210036 /nfs/dbraw/zinc/21/00/36/363210036.db2.gz SDMAHBJAIMFVAY-GXSJLCMTSA-N 1 1 210.346 2.232 10 0 BEAEMO C[C@H]1CCC[N@H+]1[C@H](CN)c1ccsc1 ZINC000252194467 363210037 /nfs/dbraw/zinc/21/00/37/363210037.db2.gz SDMAHBJAIMFVAY-GXSJLCMTSA-N 1 1 210.346 2.232 10 0 BEAEMO CC(=O)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116293200 188246127 /nfs/dbraw/zinc/24/61/27/188246127.db2.gz BELSKLBWASFBAR-NSHDSACASA-N 1 1 207.273 2.396 10 0 BEAEMO CC(C)(CCc1ccccc1)N1CC[NH2+]CC1 ZINC000071536446 188258691 /nfs/dbraw/zinc/25/86/91/188258691.db2.gz DQPDKAHKLWDFHE-UHFFFAOYSA-N 1 1 232.371 2.303 10 0 BEAEMO COc1ccc([C@H](C)N2CCC([NH3+])CC2)cc1 ZINC000020521474 188282399 /nfs/dbraw/zinc/28/23/99/188282399.db2.gz WHVJEEGXCRCCID-NSHDSACASA-N 1 1 234.343 2.179 10 0 BEAEMO CC(C)[NH+](CCNC[C@H]1CCCCO1)C(C)C ZINC000035151175 188285289 /nfs/dbraw/zinc/28/52/89/188285289.db2.gz WHFVZCUZMQNKHL-CQSZACIVSA-N 1 1 242.407 2.264 10 0 BEAEMO COc1ccc([C@H]([NH3+])c2noc(C(C)C)n2)cc1 ZINC000036763976 188285737 /nfs/dbraw/zinc/28/57/37/188285737.db2.gz XXJHIXDJCIRJDW-NSHDSACASA-N 1 1 247.298 2.250 10 0 BEAEMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036786502 188286393 /nfs/dbraw/zinc/28/63/93/188286393.db2.gz YLAZZTINQZYCTQ-NSHDSACASA-N 1 1 249.358 2.184 10 0 BEAEMO CCCn1ccnc1[C@@H]([NH3+])c1ccoc1C ZINC000041048479 188292993 /nfs/dbraw/zinc/29/29/93/188292993.db2.gz SVYSSWOSZNHFEV-NSHDSACASA-N 1 1 219.288 2.243 10 0 BEAEMO Cc1ccc(C)c(CN(C)C[C@@H](C)C(N)=[NH2+])c1 ZINC000042459832 188293721 /nfs/dbraw/zinc/29/37/21/188293721.db2.gz VFQJDNZRNJMQIT-GFCCVEGCSA-N 1 1 233.359 2.307 10 0 BEAEMO CC(C)[C@H](C[NH+](C)C)n1c(N)nc2ccccc21 ZINC000049221076 188298481 /nfs/dbraw/zinc/29/84/81/188298481.db2.gz FVQOUIPYMJYVEA-ZDUSSCGKSA-N 1 1 246.358 2.377 10 0 BEAEMO CC[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)[C@@H](C)COC)C1 ZINC000053928615 188300362 /nfs/dbraw/zinc/30/03/62/188300362.db2.gz JYWIEWFGPHGLGX-YNEHKIRRSA-N 1 1 241.375 2.349 10 0 BEAEMO CC(C)[C@@H]1C[N@H+](C)[C@H](c2ccccc2)CN1 ZINC000062608963 188303404 /nfs/dbraw/zinc/30/34/04/188303404.db2.gz MUNQGLPBYJQVLX-KBPBESRZSA-N 1 1 218.344 2.287 10 0 BEAEMO CC(C)[C@@H]1C[N@@H+](C)[C@H](c2ccccc2)CN1 ZINC000062608963 188303406 /nfs/dbraw/zinc/30/34/06/188303406.db2.gz MUNQGLPBYJQVLX-KBPBESRZSA-N 1 1 218.344 2.287 10 0 BEAEMO Cc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)ccc1C=O ZINC000071189482 188305603 /nfs/dbraw/zinc/30/56/03/188305603.db2.gz MPJKBQRONYDATI-ZDUSSCGKSA-N 1 1 246.354 2.195 10 0 BEAEMO O[C@@H]1CCC[C@H](Nc2cc[nH+]cc2Cl)C1 ZINC000308891916 491049473 /nfs/dbraw/zinc/04/94/73/491049473.db2.gz XHXTXAJMFIUEDK-DTWKUNHWSA-N 1 1 226.707 2.450 10 0 BEAEMO CC(C)N1CCC[C@H](C[NH3+])[C@H]1c1ccccn1 ZINC000082342728 188312599 /nfs/dbraw/zinc/31/25/99/188312599.db2.gz SVXOQYDTJPYKHI-OCCSQVGLSA-N 1 1 233.359 2.202 10 0 BEAEMO CC(C)C[C@H](N)C[N@H+](C)CC(C)(C)C ZINC000045089685 188325894 /nfs/dbraw/zinc/32/58/94/188325894.db2.gz NXRWLGMDWMKYRF-NSHDSACASA-N 1 1 200.370 2.338 10 0 BEAEMO CC(C)C[C@H](N)C[N@@H+](C)CC(C)(C)C ZINC000045089685 188325896 /nfs/dbraw/zinc/32/58/96/188325896.db2.gz NXRWLGMDWMKYRF-NSHDSACASA-N 1 1 200.370 2.338 10 0 BEAEMO C[C@@H]1CCC[N@H+]1[C@H](CN)c1cccs1 ZINC000252215992 363221359 /nfs/dbraw/zinc/22/13/59/363221359.db2.gz XROIELXLESQYES-NXEZZACHSA-N 1 1 210.346 2.232 10 0 BEAEMO C[C@@H]1CCCN1[C@H](C[NH3+])c1cccs1 ZINC000252215992 363221360 /nfs/dbraw/zinc/22/13/60/363221360.db2.gz XROIELXLESQYES-NXEZZACHSA-N 1 1 210.346 2.232 10 0 BEAEMO CC[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1 ZINC000114838993 324185517 /nfs/dbraw/zinc/18/55/17/324185517.db2.gz WMQIYLJQZHLVOF-GXTWGEPZSA-N 1 1 218.344 2.259 10 0 BEAEMO CC[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1 ZINC000114838993 324185519 /nfs/dbraw/zinc/18/55/19/324185519.db2.gz WMQIYLJQZHLVOF-GXTWGEPZSA-N 1 1 218.344 2.259 10 0 BEAEMO CCSCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230646649 363315471 /nfs/dbraw/zinc/31/54/71/363315471.db2.gz YMSIURWEHPIMFC-VIFPVBQESA-N 1 1 214.334 2.387 10 0 BEAEMO CCC(C)(C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000335202666 355036904 /nfs/dbraw/zinc/03/69/04/355036904.db2.gz ILUWZRMVNJGAIS-VXGBXAGGSA-N 1 1 238.375 2.118 10 0 BEAEMO COC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000125686104 324647666 /nfs/dbraw/zinc/64/76/66/324647666.db2.gz SFBNGFPDTABVTH-QJPTWQEYSA-N 1 1 227.348 2.352 10 0 BEAEMO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000350699548 355743852 /nfs/dbraw/zinc/74/38/52/355743852.db2.gz HKZXBZUZXBNHAA-VWYCJHECSA-N 1 1 225.332 2.201 10 0 BEAEMO C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000350699548 355743853 /nfs/dbraw/zinc/74/38/53/355743853.db2.gz HKZXBZUZXBNHAA-VWYCJHECSA-N 1 1 225.332 2.201 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C)C1 ZINC000336010820 134050640 /nfs/dbraw/zinc/05/06/40/134050640.db2.gz IIZCAHZTQQOVIN-QWHCGFSZSA-N 1 1 238.375 2.118 10 0 BEAEMO CC[N@@H+]1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000389197800 355839615 /nfs/dbraw/zinc/83/96/15/355839615.db2.gz XUZSUFBXXMLVGJ-CYBMUJFWSA-N 1 1 236.334 2.318 10 0 BEAEMO CCC(F)(F)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000639489706 356306621 /nfs/dbraw/zinc/30/66/21/356306621.db2.gz SOUVJMAZHMDJNU-WDEREUQCSA-N 1 1 232.318 2.200 10 0 BEAEMO NC(=O)[C@H]([NH2+]Cc1ccccc1)c1ccsc1 ZINC000037941210 181278498 /nfs/dbraw/zinc/27/84/98/181278498.db2.gz SXOSUSFXBCYJCF-GFCCVEGCSA-N 1 1 246.335 2.064 10 0 BEAEMO Cc1cc(Cc2nccs2)c[nH+]c1N ZINC000129742884 356474161 /nfs/dbraw/zinc/47/41/61/356474161.db2.gz GVFFYONZQHFZEL-UHFFFAOYSA-N 1 1 205.286 2.020 10 0 BEAEMO [NH3+]C1(C(=O)c2cscc2Br)CC1 ZINC000226435326 357147334 /nfs/dbraw/zinc/14/73/34/357147334.db2.gz VRJCTRIHBOYGQO-UHFFFAOYSA-N 1 1 246.129 2.185 10 0 BEAEMO CC[N@@H+](Cc1ncccc1C(=O)OC)C(C)C ZINC000304166753 357158290 /nfs/dbraw/zinc/15/82/90/357158290.db2.gz JSIHDZANKAUCQT-UHFFFAOYSA-N 1 1 236.315 2.099 10 0 BEAEMO Cc1cnccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000230709462 357572923 /nfs/dbraw/zinc/57/29/23/357572923.db2.gz CWZUFOHNLKJDDW-ZFWWWQNUSA-N 1 1 245.370 2.059 10 0 BEAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CC1CCC1 ZINC000085697055 357553718 /nfs/dbraw/zinc/55/37/18/357553718.db2.gz ASGNGTXMRFXJSZ-TZMCWYRMSA-N 1 1 222.376 2.345 10 0 BEAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CCC1 ZINC000085697055 357553720 /nfs/dbraw/zinc/55/37/20/357553720.db2.gz ASGNGTXMRFXJSZ-TZMCWYRMSA-N 1 1 222.376 2.345 10 0 BEAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC1CCC1 ZINC000085697055 357553722 /nfs/dbraw/zinc/55/37/22/357553722.db2.gz ASGNGTXMRFXJSZ-TZMCWYRMSA-N 1 1 222.376 2.345 10 0 BEAEMO CC[C@H](C)CC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000188705408 357565910 /nfs/dbraw/zinc/56/59/10/357565910.db2.gz GIVIFJVZDPMCTR-QWHCGFSZSA-N 1 1 240.391 2.365 10 0 BEAEMO CC[C@@H](C)CC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000188705386 357565940 /nfs/dbraw/zinc/56/59/40/357565940.db2.gz GIVIFJVZDPMCTR-CHWSQXEVSA-N 1 1 240.391 2.365 10 0 BEAEMO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000189261711 357626619 /nfs/dbraw/zinc/62/66/19/357626619.db2.gz VGSSEFASXPLTQT-RWMBFGLXSA-N 1 1 240.391 2.268 10 0 BEAEMO Cc1nc([C@@H]2CCC[N@H+]2CCCCO)cs1 ZINC000189831465 357673412 /nfs/dbraw/zinc/67/34/12/357673412.db2.gz IRINHZAHFZZHAA-LBPRGKRZSA-N 1 1 240.372 2.361 10 0 BEAEMO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCSC(C)(C)C1 ZINC000685951422 538895323 /nfs/dbraw/zinc/89/53/23/538895323.db2.gz UALCUEDQHWQAME-GDNZZTSVSA-N 1 1 242.432 2.058 10 0 BEAEMO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCSC(C)(C)C1 ZINC000685951423 538895560 /nfs/dbraw/zinc/89/55/60/538895560.db2.gz UALCUEDQHWQAME-GHMZBOCLSA-N 1 1 242.432 2.058 10 0 BEAEMO Cc1cccc([C@@H](C)[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191074516 357747115 /nfs/dbraw/zinc/74/71/15/357747115.db2.gz AKYDPVYIKIZLPI-CYBMUJFWSA-N 1 1 246.354 2.220 10 0 BEAEMO O=C(CC1=CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170946071 134255938 /nfs/dbraw/zinc/25/59/38/134255938.db2.gz NNMWFCOMSIFQJM-CQSZACIVSA-N 1 1 248.370 2.184 10 0 BEAEMO CCC(C)(C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171208204 134256011 /nfs/dbraw/zinc/25/60/11/134256011.db2.gz PXBIZWAKVDLQRT-UHFFFAOYSA-N 1 1 238.375 2.119 10 0 BEAEMO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1Cc3ccccc31)C2 ZINC000640075791 358173180 /nfs/dbraw/zinc/17/31/80/358173180.db2.gz HXTHJZHXECKREC-UQOMUDLDSA-N 1 1 243.350 2.172 10 0 BEAEMO C[Si](C)(C)C[NH+]1CCC(N2CCCC2)CC1 ZINC000171742570 134260307 /nfs/dbraw/zinc/26/03/07/134260307.db2.gz XMQLKOYBYYXABL-UHFFFAOYSA-N 1 1 240.467 2.424 10 0 BEAEMO C[Si](C)(C)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000171736000 134260467 /nfs/dbraw/zinc/26/04/67/134260467.db2.gz HQSYDKYABZMTIN-UHFFFAOYSA-N 1 1 237.423 2.467 10 0 BEAEMO NCC1([NH+]2CCC(F)(F)CC2)CCCCC1 ZINC000584607527 358268037 /nfs/dbraw/zinc/26/80/37/358268037.db2.gz NLXVQRYWUXFGQN-UHFFFAOYSA-N 1 1 232.318 2.379 10 0 BEAEMO C[C@H](O)c1ccc2c(c1)[C@]1(C)CC[N@@H+](C)[C@H]1N2C ZINC000584650766 358301903 /nfs/dbraw/zinc/30/19/03/358301903.db2.gz MKSOESVDRVQKQV-LKTVYLICSA-N 1 1 246.354 2.109 10 0 BEAEMO C[C@H](O)c1ccc2c(c1)[C@]1(C)CC[N@H+](C)[C@H]1N2C ZINC000584650766 358301905 /nfs/dbraw/zinc/30/19/05/358301905.db2.gz MKSOESVDRVQKQV-LKTVYLICSA-N 1 1 246.354 2.109 10 0 BEAEMO CC[C@@]12CCCC[N@@H+]1[C@@H](C(C)(C)C)N(C)C2=O ZINC000584655410 358308428 /nfs/dbraw/zinc/30/84/28/358308428.db2.gz QHIIWJILUFBCJF-FZMZJTMJSA-N 1 1 238.375 2.465 10 0 BEAEMO CC[C@@]12CCCC[N@H+]1[C@@H](C(C)(C)C)N(C)C2=O ZINC000584655410 358308430 /nfs/dbraw/zinc/30/84/30/358308430.db2.gz 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CC[N@H+]1CC[C@@H](NCc2cccc(C)n2)[C@H](C)C1 ZINC000127236472 388718804 /nfs/dbraw/zinc/71/88/04/388718804.db2.gz PNBXBKBHDRNGRS-IUODEOHRSA-N 1 1 247.386 2.210 10 0 BEAEMO CCN1CC[C@H]([N@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785067 /nfs/dbraw/zinc/78/50/67/388785067.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 1 1 210.365 2.059 10 0 BEAEMO CCN1CC[C@H]([N@@H+](C)CC2CC2)[C@H](C)C1 ZINC000128678033 388785071 /nfs/dbraw/zinc/78/50/71/388785071.db2.gz XGTLWMFBTMPVOI-YPMHNXCESA-N 1 1 210.365 2.059 10 0 BEAEMO Nc1c([C@H]2CCCO2)[nH+]cn1Cc1ccccc1 ZINC000575466671 388838461 /nfs/dbraw/zinc/83/84/61/388838461.db2.gz BGCVIHXYHPHFKF-GFCCVEGCSA-N 1 1 243.310 2.365 10 0 BEAEMO C[C@@H]1C[C@H](C)CN(c2ccc(N)c[nH+]2)C1 ZINC000019262374 132324287 /nfs/dbraw/zinc/32/42/87/132324287.db2.gz VEZVCFYVKAGGQT-AOOOYVTPSA-N 1 1 205.305 2.146 10 0 BEAEMO Cc1cc(N)c[nH+]c1N1C[C@@H](C)C[C@H](C)C1 ZINC000036241540 132341382 /nfs/dbraw/zinc/34/13/82/132341382.db2.gz TVGXSMZCYQDABS-UWVGGRQHSA-N 1 1 219.332 2.455 10 0 BEAEMO 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CC[C@@](C)(O)C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000336131880 134094631 /nfs/dbraw/zinc/09/46/31/134094631.db2.gz IQJNWQDSIVKUBA-NWDGAFQWSA-N 1 1 211.349 2.412 10 0 BEAEMO CN1CC[C@H]2CC[N@@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096571 /nfs/dbraw/zinc/09/65/71/134096571.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 1 1 222.376 2.203 10 0 BEAEMO CCCCOC[C@@H](O)C[N@@H+](C)C[C@@H](C)CC ZINC000193245245 134139682 /nfs/dbraw/zinc/13/96/82/134139682.db2.gz ZVCOFQIPKJZBQL-STQMWFEESA-N 1 1 231.380 2.142 10 0 BEAEMO CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175048597 134284482 /nfs/dbraw/zinc/28/44/82/134284482.db2.gz NZNLSCTXRXXHJB-QWHCGFSZSA-N 1 1 238.375 2.262 10 0 BEAEMO CCC(CC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176974539 134295239 /nfs/dbraw/zinc/29/52/39/134295239.db2.gz XVVVAOLIFXSLFZ-CYBMUJFWSA-N 1 1 240.391 2.365 10 0 BEAEMO CC[C@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177148459 134295876 /nfs/dbraw/zinc/29/58/76/134295876.db2.gz RGLDUUSQTSKELY-AAEUAGOBSA-N 1 1 249.358 2.229 10 0 BEAEMO 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232.318 2.376 10 0 BEAEMO CC(C)[N@@H+]1CC[C@H](N)[C@@]12CCC[C@@H](C)C2 ZINC000685953111 538897450 /nfs/dbraw/zinc/89/74/50/538897450.db2.gz GEOJHZJSLOOTFB-AGIUHOORSA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@H](N)[C@@]12CCC[C@@H](C)C2 ZINC000685953111 538897451 /nfs/dbraw/zinc/89/74/51/538897451.db2.gz GEOJHZJSLOOTFB-AGIUHOORSA-N 1 1 210.365 2.377 10 0 BEAEMO Nc1cn(CCCc2ccccc2)c[nH+]1 ZINC000685964172 538911207 /nfs/dbraw/zinc/91/12/07/538911207.db2.gz FJBCHGIYEJZDKH-UHFFFAOYSA-N 1 1 201.273 2.098 10 0 BEAEMO CCC(CC)(C[NH3+])CN1CCO[C@H]2CCC[C@@H]21 ZINC000051252585 168323053 /nfs/dbraw/zinc/32/30/53/168323053.db2.gz YVXBRSFJVLJHPL-STQMWFEESA-N 1 1 240.391 2.005 10 0 BEAEMO CCC(CC)(CN)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615440 168323391 /nfs/dbraw/zinc/32/33/91/168323391.db2.gz IXXQCYFWBRLAAB-LBPRGKRZSA-N 1 1 242.407 2.251 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616588191 349487274 /nfs/dbraw/zinc/48/72/74/349487274.db2.gz PEBXOPYOIPCYEA-HNNXBMFYSA-N 1 1 239.322 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CC[N@H+]1C[C@H](N[C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778255 539007017 /nfs/dbraw/zinc/00/70/17/539007017.db2.gz XKLAYXKOVBBCQH-LOWVWBTDSA-N 1 1 222.332 2.270 10 0 BEAEMO CC[N@@H+]1C[C@H](N[C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778255 539007018 /nfs/dbraw/zinc/00/70/18/539007018.db2.gz XKLAYXKOVBBCQH-LOWVWBTDSA-N 1 1 222.332 2.270 10 0 BEAEMO COC[C@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC000390663389 539026966 /nfs/dbraw/zinc/02/69/66/539026966.db2.gz SVITWPUZIYYIMQ-VIFPVBQESA-N 1 1 226.320 2.097 10 0 BEAEMO Cc1cc([C@H]2[NH2+]CCc3occc32)sn1 ZINC000709991382 539027773 /nfs/dbraw/zinc/02/77/73/539027773.db2.gz WMFPHDWWVAVVQB-NSHDSACASA-N 1 1 220.297 2.280 10 0 BEAEMO CCCC[C@@H](C)N(C)CC(F)(F)C[NH3+] ZINC000389297402 539016347 /nfs/dbraw/zinc/01/63/47/539016347.db2.gz HHUUSKPIAYVCGM-SECBINFHSA-N 1 1 208.296 2.091 10 0 BEAEMO CC(C)C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134829890 342894980 /nfs/dbraw/zinc/89/49/80/342894980.db2.gz YBYMDZIMAWTILN-RYUDHWBXSA-N 1 1 209.333 2.476 10 0 BEAEMO 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CC[C@H]1CC[N@@H+](Cc2nnc(C(C)C)n2C)C1 ZINC000176262247 365702186 /nfs/dbraw/zinc/70/21/86/365702186.db2.gz OLXUCYRSWAFPRA-NSHDSACASA-N 1 1 236.363 2.170 10 0 BEAEMO CNc1c(N)c[nH+]c2c(Cl)cc(C)cc12 ZINC000584882634 343085187 /nfs/dbraw/zinc/08/51/87/343085187.db2.gz MINRAAIUKRVHAD-UHFFFAOYSA-N 1 1 221.691 2.242 10 0 BEAEMO CNc1c(N)c[nH+]c2c(OC)cc(C)cc12 ZINC000584882850 343085628 /nfs/dbraw/zinc/08/56/28/343085628.db2.gz WSCHIGFDPWFHQM-UHFFFAOYSA-N 1 1 217.272 2.176 10 0 BEAEMO C[N@@H+]1CC=C(c2c[nH]c3ccc(CO)cc23)CC1 ZINC000013731876 343102807 /nfs/dbraw/zinc/10/28/07/343102807.db2.gz BLPACQACEQEYPL-UHFFFAOYSA-N 1 1 242.322 2.379 10 0 BEAEMO CC(C)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126383051 187232635 /nfs/dbraw/zinc/23/26/35/187232635.db2.gz OLLNEEBZVQSDRV-CYBMUJFWSA-N 1 1 221.300 2.174 10 0 BEAEMO CC(C)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126383051 187232636 /nfs/dbraw/zinc/23/26/36/187232636.db2.gz OLLNEEBZVQSDRV-CYBMUJFWSA-N 1 1 221.300 2.174 10 0 BEAEMO 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CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ncco1 ZINC000616597061 350636566 /nfs/dbraw/zinc/63/65/66/350636566.db2.gz MBUIRBHSXRYBDO-JTQLQIEISA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1ncco1 ZINC000616597061 350636572 /nfs/dbraw/zinc/63/65/72/350636572.db2.gz MBUIRBHSXRYBDO-JTQLQIEISA-N 1 1 224.304 2.237 10 0 BEAEMO CC(=O)Nc1cccc([C@H]2C[N@@H+](C)CCCO2)c1 ZINC000616598670 350683629 /nfs/dbraw/zinc/68/36/29/350683629.db2.gz OYTKRZRBELBYOY-CQSZACIVSA-N 1 1 248.326 2.038 10 0 BEAEMO CC(C)(C)[N@H+]1CCOC[C@@H](c2ccncc2)C1 ZINC000616599409 350746053 /nfs/dbraw/zinc/74/60/53/350746053.db2.gz YEOANADVBMZYGH-ZDUSSCGKSA-N 1 1 234.343 2.296 10 0 BEAEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616599165 350726472 /nfs/dbraw/zinc/72/64/72/350726472.db2.gz IEJVXCCXYYFAPX-GFCCVEGCSA-N 1 1 249.358 2.056 10 0 BEAEMO C[C@H](C(N)=S)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000251901291 362982305 /nfs/dbraw/zinc/98/23/05/362982305.db2.gz SNEBMEIBHVUGFG-BBBLOLIVSA-N 1 1 214.378 2.172 10 0 BEAEMO 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/nfs/dbraw/zinc/24/91/73/351249173.db2.gz IIZVNMHIXVINMQ-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO CC[N@H+]1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616679425 351250321 /nfs/dbraw/zinc/25/03/21/351250321.db2.gz VJRKAJYKUUGBOV-OAHLLOKOSA-N 1 1 239.322 2.444 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@H](c2cnoc2)CC1 ZINC000616687449 351258272 /nfs/dbraw/zinc/25/82/72/351258272.db2.gz YVUSEKNADTVULX-NSHDSACASA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1cccc(N)n1 ZINC000616656934 351197163 /nfs/dbraw/zinc/19/71/63/351197163.db2.gz QIPLVMUOJWVFBT-LBPRGKRZSA-N 1 1 249.358 2.226 10 0 BEAEMO C[N@H+]1CCOC[C@H](c2cc3ccccc3cn2)C1 ZINC000616658105 351200400 /nfs/dbraw/zinc/20/04/00/351200400.db2.gz JDOQZAPJBKKHSX-CQSZACIVSA-N 1 1 242.322 2.280 10 0 BEAEMO C[N@H+]1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616655619 351200681 /nfs/dbraw/zinc/20/06/81/351200681.db2.gz IFMJRECRWJBSIB-CQSZACIVSA-N 1 1 243.310 2.023 10 0 BEAEMO CC(C)[N@H+]1CCOCC[C@@H]1c1cccnc1 ZINC000616656387 351202308 /nfs/dbraw/zinc/20/23/08/351202308.db2.gz UORMRAJELLFIQR-CYBMUJFWSA-N 1 1 220.316 2.253 10 0 BEAEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616656207 351202705 /nfs/dbraw/zinc/20/27/05/351202705.db2.gz QIPLVMUOJWVFBT-GFCCVEGCSA-N 1 1 249.358 2.226 10 0 BEAEMO F[C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664715 351220714 /nfs/dbraw/zinc/22/07/14/351220714.db2.gz UHXXYKYVWCCDPQ-LBPRGKRZSA-N 1 1 209.264 2.205 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cocn2)CC1 ZINC000616666277 351225570 /nfs/dbraw/zinc/22/55/70/351225570.db2.gz MIRYJVBNZPWIBQ-LLVKDONJSA-N 1 1 224.304 2.237 10 0 BEAEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccncn2)CC1 ZINC000616666391 351226653 /nfs/dbraw/zinc/22/66/53/351226653.db2.gz QPHXHMRNLMLPAI-GFCCVEGCSA-N 1 1 235.331 2.039 10 0 BEAEMO Clc1cc(Cl)nc(CC[NH+]2CCCC2)n1 ZINC000306881206 351278888 /nfs/dbraw/zinc/27/88/88/351278888.db2.gz LSQBOPPJCBRVLO-UHFFFAOYSA-N 1 1 246.141 2.422 10 0 BEAEMO CC[C@@H](C[NH3+])Nc1ccnc(C)c1Cl ZINC000307043568 351444566 /nfs/dbraw/zinc/44/45/66/351444566.db2.gz NADVLOOHALAGQM-QMMMGPOBSA-N 1 1 213.712 2.193 10 0 BEAEMO [NH3+][C@@H](c1ccns1)c1ccoc1Cl ZINC000307003894 351417827 /nfs/dbraw/zinc/41/78/27/351417827.db2.gz DNRKZQSEKYRHSI-SSDOTTSWSA-N 1 1 214.677 2.438 10 0 BEAEMO C[C@H](C(N)=S)[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000252107725 363069278 /nfs/dbraw/zinc/06/92/78/363069278.db2.gz HHHHTPQUWZYPOS-OPRDCNLKSA-N 1 1 214.378 2.172 10 0 BEAEMO Cc1ccsc1-c1ncc([C@@H](C)[NH3+])[nH]1 ZINC000307191831 351593378 /nfs/dbraw/zinc/59/33/78/351593378.db2.gz BRBRPCCEIOEMOM-SSDOTTSWSA-N 1 1 207.302 2.466 10 0 BEAEMO Nc1cccc(Br)c1C[NH+]1CCC1 ZINC000307273403 351827550 /nfs/dbraw/zinc/82/75/50/351827550.db2.gz ISQVGUYEPWMBTD-UHFFFAOYSA-N 1 1 241.132 2.237 10 0 BEAEMO Nc1c(F)cccc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000638084978 351961189 /nfs/dbraw/zinc/96/11/89/351961189.db2.gz SIMIJIYNWMDITN-SKDRFNHKSA-N 1 1 220.291 2.392 10 0 BEAEMO Nc1ccc(C[NH+]2CCC2)c(Br)c1 ZINC000307586879 352661399 /nfs/dbraw/zinc/66/13/99/352661399.db2.gz RDMJIYPNGKEVCE-UHFFFAOYSA-N 1 1 241.132 2.237 10 0 BEAEMO CC(C)(O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000334237870 352856172 /nfs/dbraw/zinc/85/61/72/352856172.db2.gz SGVAHYBQIQMION-CYBMUJFWSA-N 1 1 241.375 2.038 10 0 BEAEMO CC(C)[N@@H+](CCCO)[C@@H](C)c1ccc(N)cc1 ZINC000042483034 187947382 /nfs/dbraw/zinc/94/73/82/187947382.db2.gz QPCFWQCOJYUXKA-LBPRGKRZSA-N 1 1 236.359 2.423 10 0 BEAEMO CCC1([NH+]2CCC(C)CC2)CCNCC1 ZINC000536952821 323959883 /nfs/dbraw/zinc/95/98/83/323959883.db2.gz FEGJLKOMJMKUSN-UHFFFAOYSA-N 1 1 210.365 2.251 10 0 BEAEMO CC(C)C[C@@H]1C[N@H+](C)[C@@H](CC(C)C)CN1 ZINC000062571013 188013220 /nfs/dbraw/zinc/01/32/20/188013220.db2.gz VBXVSCNNXICGAT-OLZOCXBDSA-N 1 1 212.381 2.351 10 0 BEAEMO CC(C)C[C@@H]1C[N@@H+](C)[C@@H](CC(C)C)CN1 ZINC000062571013 188013221 /nfs/dbraw/zinc/01/32/21/188013221.db2.gz VBXVSCNNXICGAT-OLZOCXBDSA-N 1 1 212.381 2.351 10 0 BEAEMO Clc1nc(-c2ccccc2)nc2c1C[NH2+]C2 ZINC000258423165 188020285 /nfs/dbraw/zinc/02/02/85/188020285.db2.gz GRSNZAZNDLOFLX-UHFFFAOYSA-N 1 1 231.686 2.400 10 0 BEAEMO CN(Cc1ccsc1)[C@H]1CC[C@@H]([NH3+])C1 ZINC000223120810 353138086 /nfs/dbraw/zinc/13/80/86/353138086.db2.gz PPDSNSFPEZEQIL-MNOVXSKESA-N 1 1 210.346 2.060 10 0 BEAEMO CC(C)[C@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000040677318 188042615 /nfs/dbraw/zinc/04/26/15/188042615.db2.gz MTXPKXHNMFGJIV-LBPRGKRZSA-N 1 1 249.289 2.455 10 0 BEAEMO C[NH2+][C@@H](c1cscn1)C1=COCCC1 ZINC000160139233 353254547 /nfs/dbraw/zinc/25/45/47/353254547.db2.gz KFWXFTLSNKNYPK-SNVBAGLBSA-N 1 1 210.302 2.098 10 0 BEAEMO COc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294998353 188268834 /nfs/dbraw/zinc/26/88/34/188268834.db2.gz LBYMTZCZCCKVLE-SMDDNHRTSA-N 1 1 235.327 2.040 10 0 BEAEMO CC(C)[N@@H+](CCN(C)C)Cc1ccccc1N ZINC000035365757 188285523 /nfs/dbraw/zinc/28/55/23/188285523.db2.gz JPEDPFVHGJYXQR-UHFFFAOYSA-N 1 1 235.375 2.041 10 0 BEAEMO CC(C)N(CC[NH+](C)C)Cc1ccccc1N ZINC000035365757 188285524 /nfs/dbraw/zinc/28/55/24/188285524.db2.gz JPEDPFVHGJYXQR-UHFFFAOYSA-N 1 1 235.375 2.041 10 0 BEAEMO CC(C)(C)c1nc2cc(C[NH3+])ccc2[nH]1 ZINC000071508671 188287225 /nfs/dbraw/zinc/28/72/25/188287225.db2.gz ZHUNNSKUKDJATI-UHFFFAOYSA-N 1 1 203.289 2.319 10 0 BEAEMO C[NH2+][C@@H]1CCN(Cc2cccc(C)c2)C[C@H]1C ZINC000049712996 188298620 /nfs/dbraw/zinc/29/86/20/188298620.db2.gz WYCGVYQTJANWEN-UKRRQHHQSA-N 1 1 232.371 2.425 10 0 BEAEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000252677276 353303634 /nfs/dbraw/zinc/30/36/34/353303634.db2.gz ZELGFJWVYZUHOM-ZFWWWQNUSA-N 1 1 245.370 2.140 10 0 BEAEMO CC(C)[C@H]([NH3+])c1nc(-c2cccc(O)c2)no1 ZINC000083101104 188315489 /nfs/dbraw/zinc/31/54/89/188315489.db2.gz XXVHXKCPNJGSNE-JTQLQIEISA-N 1 1 233.271 2.098 10 0 BEAEMO CCn1cccc1CNC[C@H](C)[N@H+](C)C1CC1 ZINC000217622812 188355190 /nfs/dbraw/zinc/35/51/90/188355190.db2.gz ORXPIOOHIDOZDI-LBPRGKRZSA-N 1 1 235.375 2.080 10 0 BEAEMO CCn1cccc1CNC[C@H](C)[N@@H+](C)C1CC1 ZINC000217622812 188355191 /nfs/dbraw/zinc/35/51/91/188355191.db2.gz ORXPIOOHIDOZDI-LBPRGKRZSA-N 1 1 235.375 2.080 10 0 BEAEMO CC(C)C[C@H]1CNCC[N@H+]1C1CCCC1 ZINC000062570364 188360236 /nfs/dbraw/zinc/36/02/36/188360236.db2.gz XKZKXTGARAGHDI-ZDUSSCGKSA-N 1 1 210.365 2.249 10 0 BEAEMO CC/C=C/CC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000184530329 535231078 /nfs/dbraw/zinc/23/10/78/535231078.db2.gz GYMQXUKAZHKCAJ-ITDFMYJTSA-N 1 1 234.347 2.271 10 0 BEAEMO CC(C)(O)CC[N@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000366096296 188366472 /nfs/dbraw/zinc/36/64/72/188366472.db2.gz NTIZDBRKHVRGEJ-NEPJUHHUSA-N 1 1 211.349 2.412 10 0 BEAEMO CC/C=C/CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000184533010 535232329 /nfs/dbraw/zinc/23/23/29/535232329.db2.gz VESYKDKXTBDXTG-ITDFMYJTSA-N 1 1 208.349 2.123 10 0 BEAEMO O=C(C[C@H]1C=CCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195086027 353721135 /nfs/dbraw/zinc/72/11/35/353721135.db2.gz JLDXYTUMIOQLNF-UONOGXRCSA-N 1 1 248.370 2.039 10 0 BEAEMO Cc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)no1 ZINC000195505994 353765688 /nfs/dbraw/zinc/76/56/88/353765688.db2.gz XRLUTVNAWULNBQ-UHFFFAOYSA-N 1 1 246.314 2.086 10 0 BEAEMO CN(Cc1ccccc1)[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405532271 353796202 /nfs/dbraw/zinc/79/62/02/353796202.db2.gz YMGDCRMGDSALPQ-UONOGXRCSA-N 1 1 230.355 2.388 10 0 BEAEMO Cc1cc[nH+]c(N2CC3(CCC3)[C@@H]3COC[C@H]32)c1 ZINC000334732017 354532268 /nfs/dbraw/zinc/53/22/68/354532268.db2.gz ZCILTVMKTRSZOH-CHWSQXEVSA-N 1 1 244.338 2.395 10 0 BEAEMO CC(C)C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334795200 354548321 /nfs/dbraw/zinc/54/83/21/354548321.db2.gz DIOYCJHQQZGAFX-NWDGAFQWSA-N 1 1 209.333 2.143 10 0 BEAEMO C[C@H]1C[C@@H](c2nc(C3(C)CC3)no2)CC[N@H+]1C ZINC000335168664 354930127 /nfs/dbraw/zinc/93/01/27/354930127.db2.gz GOSGPUQKOYDHMY-UWVGGRQHSA-N 1 1 235.331 2.319 10 0 BEAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000040502205 358492853 /nfs/dbraw/zinc/49/28/53/358492853.db2.gz TYSUAUATUFGURP-RYUDHWBXSA-N 1 1 222.332 2.415 10 0 BEAEMO OCC[N@@H+](CC1CC1)C[C@H]1Cc2ccccc21 ZINC000346841092 355133818 /nfs/dbraw/zinc/13/38/18/355133818.db2.gz IXCDUMYGRIMTRU-CQSZACIVSA-N 1 1 231.339 2.031 10 0 BEAEMO CCCCC[C@H]([NH2+]CC1CC1)C(=O)OCC ZINC000037968161 168744781 /nfs/dbraw/zinc/74/47/81/168744781.db2.gz HOYWPTPXYGQYAE-LBPRGKRZSA-N 1 1 227.348 2.498 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C)C1 ZINC000336010818 134050687 /nfs/dbraw/zinc/05/06/87/134050687.db2.gz IIZCAHZTQQOVIN-CHWSQXEVSA-N 1 1 238.375 2.118 10 0 BEAEMO [NH3+][C@@H](c1ccc(Br)o1)C1=CCCO1 ZINC000168467087 355840935 /nfs/dbraw/zinc/84/09/35/355840935.db2.gz KFJCQBGRBHBWRX-SECBINFHSA-N 1 1 244.088 2.346 10 0 BEAEMO Cc1ccc([C@@H](O)Cc2[nH]cc[nH+]2)s1 ZINC000040261600 355913750 /nfs/dbraw/zinc/91/37/50/355913750.db2.gz HQUXMGKSVXQJND-QMMMGPOBSA-N 1 1 208.286 2.056 10 0 BEAEMO Cc1ccc([C@H](O)Cc2[nH]cc[nH+]2)s1 ZINC000040261599 355914113 /nfs/dbraw/zinc/91/41/13/355914113.db2.gz HQUXMGKSVXQJND-MRVPVSSYSA-N 1 1 208.286 2.056 10 0 BEAEMO CC[N@H+]1CCC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000040766516 358499232 /nfs/dbraw/zinc/49/92/32/358499232.db2.gz DMXMTYKLDXQHHJ-GFCCVEGCSA-N 1 1 248.374 2.496 10 0 BEAEMO CC[N@H+]1CC[C@H](Nc2ncnc3ccsc32)C1 ZINC000389287447 355956697 /nfs/dbraw/zinc/95/66/97/355956697.db2.gz WKYVVVVXQLGPHF-VIFPVBQESA-N 1 1 248.355 2.197 10 0 BEAEMO COc1cccc(C[N@@H+](C[C@H](C)O)C(C)C)c1 ZINC000036098347 356010086 /nfs/dbraw/zinc/01/00/86/356010086.db2.gz VDSFABGAIYJRPN-LBPRGKRZSA-N 1 1 237.343 2.286 10 0 BEAEMO C[C@H]1C[N@@H+](C[C@H]2CCCC2(F)F)CCO1 ZINC000336192433 134124556 /nfs/dbraw/zinc/12/45/56/134124556.db2.gz PLDQBSRMIPNWJH-VHSXEESVSA-N 1 1 219.275 2.143 10 0 BEAEMO CC[N@@H+]1CC[C@@H](NCc2cccc(C)c2F)C1 ZINC000389448333 356673249 /nfs/dbraw/zinc/67/32/49/356673249.db2.gz PNLVJYYGWUSMJO-CYBMUJFWSA-N 1 1 236.334 2.318 10 0 BEAEMO CC[N@H+]1CC[C@@H](NCc2cccc(C)c2F)C1 ZINC000389448333 356673253 /nfs/dbraw/zinc/67/32/53/356673253.db2.gz PNLVJYYGWUSMJO-CYBMUJFWSA-N 1 1 236.334 2.318 10 0 BEAEMO CC(C)C1CCC(O)(C(F)(F)C[NH3+])CC1 ZINC000675073477 538505931 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ZINC000044565921 173009955 /nfs/dbraw/zinc/00/99/55/173009955.db2.gz PZYARMFFQNNURB-ZETCQYMHSA-N 1 1 246.767 2.088 10 0 BEAEMO C[N@H+]1CCCC[C@H]1c1[nH]nc2c1CCCCN2 ZINC000003698246 173010480 /nfs/dbraw/zinc/01/04/80/173010480.db2.gz DZOXZMRPHKDGBV-NSHDSACASA-N 1 1 234.347 2.315 10 0 BEAEMO CN1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000336278245 173015457 /nfs/dbraw/zinc/01/54/57/173015457.db2.gz FCMJTBRMNCETKR-LBPRGKRZSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@@H+]1CCCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000336278245 173015459 /nfs/dbraw/zinc/01/54/59/173015459.db2.gz FCMJTBRMNCETKR-LBPRGKRZSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@H+]1CCCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000336278245 173015460 /nfs/dbraw/zinc/01/54/60/173015460.db2.gz FCMJTBRMNCETKR-LBPRGKRZSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@H+]1CCC[C@@H]1[Si](C)(C)c1ccccc1 ZINC000196105849 173036490 /nfs/dbraw/zinc/03/64/90/173036490.db2.gz ILNKICNJQHSMAX-ZDUSSCGKSA-N 1 1 219.404 2.235 10 0 BEAEMO CN(c1ccccc1C=O)[C@H]1CCC[N@@H+](C)C1 ZINC000053245713 173043804 /nfs/dbraw/zinc/04/38/04/173043804.db2.gz MPXFQAFOJWJIDN-ZDUSSCGKSA-N 1 1 232.327 2.030 10 0 BEAEMO C[N@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072187552 173048406 /nfs/dbraw/zinc/04/84/06/173048406.db2.gz AXWBMIPPHZLKTN-NSHDSACASA-N 1 1 215.300 2.324 10 0 BEAEMO CN1CCC[C@H]([C@@H]([NH3+])c2ccccc2)C1 ZINC000101136408 173048971 /nfs/dbraw/zinc/04/89/71/173048971.db2.gz BINAJLITODPBLY-STQMWFEESA-N 1 1 204.317 2.028 10 0 BEAEMO C[N@@H+]1CCC[C@H]([C@@H](N)c2ccccc2)C1 ZINC000101136408 173048973 /nfs/dbraw/zinc/04/89/73/173048973.db2.gz BINAJLITODPBLY-STQMWFEESA-N 1 1 204.317 2.028 10 0 BEAEMO C[N@H+]1CCC[C@H]([C@@H](N)c2ccccc2)C1 ZINC000101136408 173048974 /nfs/dbraw/zinc/04/89/74/173048974.db2.gz BINAJLITODPBLY-STQMWFEESA-N 1 1 204.317 2.028 10 0 BEAEMO C[N@H+]1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000106911548 173053501 /nfs/dbraw/zinc/05/35/01/173053501.db2.gz YJKDOQIVCGBTEH-ZDUSSCGKSA-N 1 1 236.359 2.087 10 0 BEAEMO C[N@H+]1CCC[C@H]1CNc1ncnc2sccc21 ZINC000049099967 173055477 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/nfs/dbraw/zinc/14/87/32/173148732.db2.gz NMVIYJIRSMGZDN-YPMHNXCESA-N 1 1 238.762 2.162 10 0 BEAEMO C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000039109996 173149017 /nfs/dbraw/zinc/14/90/17/173149017.db2.gz DUXQDTZEIPNHRZ-KBPBESRZSA-N 1 1 218.344 2.036 10 0 BEAEMO C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000039109996 173149019 /nfs/dbraw/zinc/14/90/19/173149019.db2.gz DUXQDTZEIPNHRZ-KBPBESRZSA-N 1 1 218.344 2.036 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2ccc(N)cc2Cl)C1 ZINC000042545183 173154575 /nfs/dbraw/zinc/15/45/75/173154575.db2.gz RGKOJWKJJNZBKB-VIFPVBQESA-N 1 1 225.723 2.038 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548229 173155620 /nfs/dbraw/zinc/15/56/20/173155620.db2.gz UKPHLJFMPICURU-QMMMGPOBSA-N 1 1 245.248 2.216 10 0 BEAEMO C[N@H+]1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1 ZINC000061987376 173165996 /nfs/dbraw/zinc/16/59/96/173165996.db2.gz ILXXCJKLHOZPDA-LLVKDONJSA-N 1 1 245.244 2.229 10 0 BEAEMO C[N@H+]1CCc2c(O)ccc(Cl)c2CC1 ZINC000039613347 173168352 /nfs/dbraw/zinc/16/83/52/173168352.db2.gz ASRNLKLRIWATDD-UHFFFAOYSA-N 1 1 211.692 2.076 10 0 BEAEMO C[N@H+]1CCc2nc(NC(C)(C)C)sc2C1 ZINC000061714624 173175008 /nfs/dbraw/zinc/17/50/08/173175008.db2.gz ZAXSZIQIGWWUET-UHFFFAOYSA-N 1 1 225.361 2.341 10 0 BEAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNc1nccs1)C2 ZINC000038019307 173205946 /nfs/dbraw/zinc/20/59/46/173205946.db2.gz XCLLLAFGEQFQPU-FGWVZKOKSA-N 1 1 237.372 2.428 10 0 BEAEMO C[NH2+]C1(C(=O)OC)CCC(C(C)(C)C)CC1 ZINC000037447853 173320700 /nfs/dbraw/zinc/32/07/00/173320700.db2.gz PSVXADXGVRXFCR-UHFFFAOYSA-N 1 1 227.348 2.354 10 0 BEAEMO C[NH2+]C(C)(C)c1nc(Cc2cccs2)no1 ZINC000061151475 173321427 /nfs/dbraw/zinc/32/14/27/173321427.db2.gz JLLCUVIXAHIJBX-UHFFFAOYSA-N 1 1 237.328 2.176 10 0 BEAEMO C[NH2+]C1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000131296917 173322667 /nfs/dbraw/zinc/32/26/67/173322667.db2.gz VWVDYFBWPFYGNZ-CYBMUJFWSA-N 1 1 232.371 2.474 10 0 BEAEMO C[NH2+]CCCc1nc2ccc(C)cc2[nH]1 ZINC000037288929 173351643 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/nfs/dbraw/zinc/76/92/22/173769222.db2.gz HPFQQJOAIZPGPX-DGCLKSJQSA-N 1 1 239.359 2.450 10 0 BEAEMO COC1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000037266216 174030680 /nfs/dbraw/zinc/03/06/80/174030680.db2.gz DATWMZZAIDNYMS-KBPBESRZSA-N 1 1 240.391 2.147 10 0 BEAEMO COCCC[N@@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@H]1O ZINC000062034310 174221145 /nfs/dbraw/zinc/22/11/45/174221145.db2.gz SKOPMDGKZQHLQF-MGPQQGTHSA-N 1 1 243.391 2.140 10 0 BEAEMO COCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124572572 174228670 /nfs/dbraw/zinc/22/86/70/174228670.db2.gz JSXXUANYUQVUPY-MJBXVCDLSA-N 1 1 241.375 2.038 10 0 BEAEMO COCC[N@H+](C1CC1)C1(CN)CCC(C)CC1 ZINC000042517882 174284478 /nfs/dbraw/zinc/28/44/78/174284478.db2.gz XNYFVPJFWKRBJK-UHFFFAOYSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@@H+](C1CC1)C1(CN)CCC(C)CC1 ZINC000042517882 174284479 /nfs/dbraw/zinc/28/44/79/174284479.db2.gz XNYFVPJFWKRBJK-UHFFFAOYSA-N 1 1 240.391 2.005 10 0 BEAEMO COCCN(C1CC1)C1(C[NH3+])CCC(C)CC1 ZINC000042517882 174284480 /nfs/dbraw/zinc/28/44/80/174284480.db2.gz XNYFVPJFWKRBJK-UHFFFAOYSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@H+]([C@@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518142 174285021 /nfs/dbraw/zinc/28/50/21/174285021.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@@H+]([C@@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000042518142 174285022 /nfs/dbraw/zinc/28/50/22/174285022.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 1 1 248.370 2.186 10 0 BEAEMO COCC[N@H+](C1CC1)[C@]1(CN)CCC[C@H](C)C1 ZINC000042517875 174285318 /nfs/dbraw/zinc/28/53/18/174285318.db2.gz VSRJVFGSANNGDK-GXTWGEPZSA-N 1 1 240.391 2.005 10 0 BEAEMO COCC[N@@H+](C1CC1)[C@]1(CN)CCC[C@H](C)C1 ZINC000042517875 174285320 /nfs/dbraw/zinc/28/53/20/174285320.db2.gz VSRJVFGSANNGDK-GXTWGEPZSA-N 1 1 240.391 2.005 10 0 BEAEMO COCCN(C1CC1)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042517875 174285323 /nfs/dbraw/zinc/28/53/23/174285323.db2.gz VSRJVFGSANNGDK-GXTWGEPZSA-N 1 1 240.391 2.005 10 0 BEAEMO COC[C@H](C)[N@@H+](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054558354 174538653 /nfs/dbraw/zinc/53/86/53/174538653.db2.gz OHSBGHGGLPVYFL-FQUUOJAGSA-N 1 1 243.391 2.139 10 0 BEAEMO COc1cc2c(C)[nH+]cc(O)c2cc1OC ZINC000071624985 175019881 /nfs/dbraw/zinc/01/98/81/175019881.db2.gz YOINPNZLLIERSP-UHFFFAOYSA-N 1 1 219.240 2.266 10 0 BEAEMO COc1cc2c(cc1O)CC[N@H+]1CCC[C@@H]21 ZINC000169309102 175023633 /nfs/dbraw/zinc/02/36/33/175023633.db2.gz UPVYRZXWGMSCFU-NSHDSACASA-N 1 1 219.284 2.094 10 0 BEAEMO COc1ccc(C)cc1[C@@H](N)C[N@@H+](C)CC1CC1 ZINC000037925407 175080204 /nfs/dbraw/zinc/08/02/04/175080204.db2.gz NBWKNPPXTGJFMB-AWEZNQCLSA-N 1 1 248.370 2.345 10 0 BEAEMO COc1ccc(C)cc1[C@@H]([NH3+])CN(C)CC1CC1 ZINC000037925407 175080205 /nfs/dbraw/zinc/08/02/05/175080205.db2.gz NBWKNPPXTGJFMB-AWEZNQCLSA-N 1 1 248.370 2.345 10 0 BEAEMO COc1ccc(C[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000378352056 175098914 /nfs/dbraw/zinc/09/89/14/175098914.db2.gz XSXQSROSZLVCRP-AWEZNQCLSA-N 1 1 249.354 2.290 10 0 BEAEMO COc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1O ZINC000061982660 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ZINC000037925421 175191591 /nfs/dbraw/zinc/19/15/91/175191591.db2.gz RGWMSZIZSCKGKH-CQSZACIVSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccc2nc(CC[NH2+]C(C)C)[nH]c2c1 ZINC000071743304 175229467 /nfs/dbraw/zinc/22/94/67/175229467.db2.gz MOYDLAHQASLRAW-UHFFFAOYSA-N 1 1 233.315 2.112 10 0 BEAEMO COc1cccc(-c2ncc([C@@H](C)[NH3+])[nH]2)c1OC ZINC000082517117 175236890 /nfs/dbraw/zinc/23/68/90/175236890.db2.gz LJIIEIJFZKRJFI-MRVPVSSYSA-N 1 1 247.298 2.114 10 0 BEAEMO COc1cccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000104117729 175280379 /nfs/dbraw/zinc/28/03/79/175280379.db2.gz GMZKHBOLDNRWNR-VXGBXAGGSA-N 1 1 247.342 2.129 10 0 BEAEMO COc1cccc([C@@H](CN)[N@H+](C)C(C)C)c1 ZINC000022221295 175287487 /nfs/dbraw/zinc/28/74/87/175287487.db2.gz OVTVBGJAWAOEBW-CYBMUJFWSA-N 1 1 222.332 2.035 10 0 BEAEMO COc1cccc([C@@H](CN)[N@@H+](C)C(C)C)c1 ZINC000022221295 175287488 /nfs/dbraw/zinc/28/74/88/175287488.db2.gz OVTVBGJAWAOEBW-CYBMUJFWSA-N 1 1 222.332 2.035 10 0 BEAEMO COc1cccc([C@@H]([NH3+])c2noc(C3CC3)n2)c1 ZINC000036764295 175288557 /nfs/dbraw/zinc/28/85/57/175288557.db2.gz FFUOKYQHEISPKM-LLVKDONJSA-N 1 1 245.282 2.004 10 0 BEAEMO COc1cccc([C@@H](N)C[NH+]2CCC(C)CC2)c1 ZINC000019821402 175288963 /nfs/dbraw/zinc/28/89/63/175288963.db2.gz VLFULOARYAECEF-HNNXBMFYSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1cccc([C@@H](N)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000023070926 175289212 /nfs/dbraw/zinc/28/92/12/175289212.db2.gz SQAZYOGVJZGSHT-DOMZBBRYSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1cccc([C@@H](N)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000023070926 175289213 /nfs/dbraw/zinc/28/92/13/175289213.db2.gz SQAZYOGVJZGSHT-DOMZBBRYSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1cccc([C@@H]([C@@H](C)N)[N@H+](C)CC2CC2)c1 ZINC000043027326 175290018 /nfs/dbraw/zinc/29/00/18/175290018.db2.gz UGBKHBWSXSVVPJ-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1cccc([C@@H]([C@@H](C)N)[N@@H+](C)CC2CC2)c1 ZINC000043027326 175290020 /nfs/dbraw/zinc/29/00/20/175290020.db2.gz UGBKHBWSXSVVPJ-IAQYHMDHSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1C(=O)C[N@@H+]1CCC[C@H]1C ZINC000037911574 175316205 /nfs/dbraw/zinc/31/62/05/175316205.db2.gz POHKLMIBMXRRFN-LLVKDONJSA-N 1 1 233.311 2.362 10 0 BEAEMO COc1ccccc1C(=O)C[N@H+]1CCC[C@H]1C ZINC000037911574 175316206 /nfs/dbraw/zinc/31/62/06/175316206.db2.gz POHKLMIBMXRRFN-LLVKDONJSA-N 1 1 233.311 2.362 10 0 BEAEMO COc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000042229856 175325910 /nfs/dbraw/zinc/32/59/10/175325910.db2.gz YRZGTTZBANNEMK-OLZOCXBDSA-N 1 1 235.327 2.040 10 0 BEAEMO COc1ccccc1[C@@H](N)C[N@H+]1CCC[C@@H](C)C1 ZINC000023069936 175347914 /nfs/dbraw/zinc/34/79/14/175347914.db2.gz UTBJSFFCQBRZOO-OCCSQVGLSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1ccccc1[C@@H]([NH3+])CN1CCC[C@@H](C)C1 ZINC000023069936 175347915 /nfs/dbraw/zinc/34/79/15/175347915.db2.gz UTBJSFFCQBRZOO-OCCSQVGLSA-N 1 1 248.370 2.427 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@H+](C)[C@@H](C)C1CC1 ZINC000036783335 175353390 /nfs/dbraw/zinc/35/33/90/175353390.db2.gz RJGFVKPZARZQMG-FZMZJTMJSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@@H+](C)[C@@H](C)C1CC1 ZINC000036783335 175353392 /nfs/dbraw/zinc/35/33/92/175353392.db2.gz RJGFVKPZARZQMG-FZMZJTMJSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000111765795 175353536 /nfs/dbraw/zinc/35/35/36/175353536.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 1 1 248.370 2.283 10 0 BEAEMO COc1ccccc1[C@H](CN)[N@@H+](C)C[C@@H]1C[C@H]1C ZINC000111765795 175353538 /nfs/dbraw/zinc/35/35/38/175353538.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 1 1 248.370 2.283 10 0 BEAEMO C[C@@H]([NH3+])c1nnc(-c2c(F)cc(F)cc2F)o1 ZINC000075904002 175822258 /nfs/dbraw/zinc/82/22/58/175822258.db2.gz ZEKVXBQYXIJPRR-SCSAIBSYSA-N 1 1 243.188 2.174 10 0 BEAEMO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053205338 176015978 /nfs/dbraw/zinc/01/59/78/176015978.db2.gz CNHSAXHCTSNJRY-SWLSCSKDSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1ccc(N)cc1)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205338 176015981 /nfs/dbraw/zinc/01/59/81/176015981.db2.gz CNHSAXHCTSNJRY-SWLSCSKDSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1ccc(N)cc1)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205338 176015983 /nfs/dbraw/zinc/01/59/83/176015983.db2.gz CNHSAXHCTSNJRY-SWLSCSKDSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)NC[C@H]1C ZINC000062608910 176021304 /nfs/dbraw/zinc/02/13/04/176021304.db2.gz YXHFMWCYJGCYBL-UPJWGTAASA-N 1 1 218.344 2.430 10 0 BEAEMO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)NC[C@H]1C ZINC000062608910 176021305 /nfs/dbraw/zinc/02/13/05/176021305.db2.gz YXHFMWCYJGCYBL-UPJWGTAASA-N 1 1 218.344 2.430 10 0 BEAEMO C[C@@H](c1ccccc1)N1CCC[NH2+][C@H](C)C1 ZINC000062609101 176022281 /nfs/dbraw/zinc/02/22/81/176022281.db2.gz GLJUBZMTNAQDNG-OLZOCXBDSA-N 1 1 218.344 2.431 10 0 BEAEMO C[C@@H](c1cccs1)[N@H+]1CC[C@@H](CO)C1 ZINC000100248425 176034150 /nfs/dbraw/zinc/03/41/50/176034150.db2.gz KNESTDLOKWBUDX-VHSXEESVSA-N 1 1 211.330 2.123 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1C1(CN)CCSCC1 ZINC000042334896 176069270 /nfs/dbraw/zinc/06/92/70/176069270.db2.gz XGIADZHHOJBSMA-LLVKDONJSA-N 1 1 228.405 2.085 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1Cc1ccoc1CN ZINC000052378757 176074459 /nfs/dbraw/zinc/07/44/59/176074459.db2.gz CDZVPMKDVFVWQB-SNVBAGLBSA-N 1 1 208.305 2.113 10 0 BEAEMO C[C@@H]1CCCC[C@@]1(CN)[N@H+]1CCCSCC1 ZINC000042443610 176083415 /nfs/dbraw/zinc/08/34/15/176083415.db2.gz DJCVHWGKHFTUOL-OLZOCXBDSA-N 1 1 242.432 2.333 10 0 BEAEMO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cc(CN)no1 ZINC000052546783 176086458 /nfs/dbraw/zinc/08/64/58/176086458.db2.gz PAPRFCMAHHTBNA-ZWNOBZJWSA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(CN)no1 ZINC000052546783 176086459 /nfs/dbraw/zinc/08/64/59/176086459.db2.gz PAPRFCMAHHTBNA-ZWNOBZJWSA-N 1 1 237.347 2.144 10 0 BEAEMO C[C@@H]1CCC[N@H+]1CC(=O)Cc1ccc(F)cc1 ZINC000037911584 176107991 /nfs/dbraw/zinc/10/79/91/176107991.db2.gz RQZLJRHSSWORCA-LLVKDONJSA-N 1 1 235.302 2.422 10 0 BEAEMO C[C@@H]1CC[N@H+](C2CCCCCC2)CCN1 ZINC000049661875 176167435 /nfs/dbraw/zinc/16/74/35/176167435.db2.gz WGEUOLJARQZQQD-GFCCVEGCSA-N 1 1 210.365 2.393 10 0 BEAEMO C[C@@H]1CCN(CCc2ccco2)CC[C@@H](C)[NH2+]1 ZINC000049667379 176171413 /nfs/dbraw/zinc/17/14/13/176171413.db2.gz MWECQUJMWFOPOW-CHWSQXEVSA-N 1 1 236.359 2.285 10 0 BEAEMO C[C@@H]1CC[C@@H](O)[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000053883667 176215414 /nfs/dbraw/zinc/21/54/14/176215414.db2.gz DJJZUPHUSLLLNI-VHDGCEQUSA-N 1 1 248.370 2.311 10 0 BEAEMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000336558307 176238373 /nfs/dbraw/zinc/23/83/73/176238373.db2.gz DMVMHFOWNXHLIN-YPMHNXCESA-N 1 1 211.349 2.269 10 0 BEAEMO C[C@@H]1C[N@H+](C2CCCCCC2)[C@H](C)CN1 ZINC000071512336 176282669 /nfs/dbraw/zinc/28/26/69/176282669.db2.gz SPLVGFVUSCGSGW-VXGBXAGGSA-N 1 1 210.365 2.391 10 0 BEAEMO C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CCCO1 ZINC000130547278 176306470 /nfs/dbraw/zinc/30/64/70/176306470.db2.gz KGWGZYCBJFAYIY-GFCCVEGCSA-N 1 1 246.354 2.265 10 0 BEAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccco1 ZINC000251663850 176322393 /nfs/dbraw/zinc/32/23/93/176322393.db2.gz HAINTICPDIWHCU-OLZOCXBDSA-N 1 1 234.343 2.338 10 0 BEAEMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccsc1 ZINC000093607501 176347408 /nfs/dbraw/zinc/34/74/08/176347408.db2.gz MVFBSGDAYHOANR-NXEZZACHSA-N 1 1 211.330 2.357 10 0 BEAEMO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2ccco2)C1 ZINC000022221269 176361698 /nfs/dbraw/zinc/36/16/98/176361698.db2.gz VVOOBECOVUXKAR-UTUOFQBUSA-N 1 1 222.332 2.257 10 0 BEAEMO C[C@@H]1C[C@@H]([N@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661274 176371168 /nfs/dbraw/zinc/37/11/68/176371168.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 1 1 242.407 2.216 10 0 BEAEMO C[C@@H]1C[C@@H]([N@@H+](C)CCOC(C)(C)C)CC[NH+]1C ZINC000123661274 176371170 /nfs/dbraw/zinc/37/11/70/176371170.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 1 1 242.407 2.216 10 0 BEAEMO C[C@@H]1C[C@@H](N(C)CCOC(C)(C)C)CC[N@@H+]1C ZINC000123661274 176371172 /nfs/dbraw/zinc/37/11/72/176371172.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 1 1 242.407 2.216 10 0 BEAEMO C[C@@H]1C[C@@H](N(C)CCOC(C)(C)C)CC[N@H+]1C ZINC000123661274 176371173 /nfs/dbraw/zinc/37/11/73/176371173.db2.gz ZRDTXMRCKUHXIB-OLZOCXBDSA-N 1 1 242.407 2.216 10 0 BEAEMO C[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O1 ZINC000096100628 176408964 /nfs/dbraw/zinc/40/89/64/176408964.db2.gz NVBQFSKORISUED-MBNYWOFBSA-N 1 1 232.327 2.081 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@H+]1CCN(C)C(C)(C)C1 ZINC000104136977 177036461 /nfs/dbraw/zinc/03/64/61/177036461.db2.gz IPDIIXLJKJMVNY-GFCCVEGCSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H](c1cccc(N)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000104136977 177036462 /nfs/dbraw/zinc/03/64/62/177036462.db2.gz IPDIIXLJKJMVNY-GFCCVEGCSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H](c1cccc(N)c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104136977 177036463 /nfs/dbraw/zinc/03/64/63/177036463.db2.gz IPDIIXLJKJMVNY-GFCCVEGCSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1nc[nH]n1 ZINC000120034341 177063399 /nfs/dbraw/zinc/06/33/99/177063399.db2.gz ZDOQLTHXWWACSR-QWRGUYRKSA-N 1 1 236.363 2.152 10 0 BEAEMO C[C@H]1CCCC[N@H+]1C1(CN)CCSCC1 ZINC000042334898 177074001 /nfs/dbraw/zinc/07/40/01/177074001.db2.gz XGIADZHHOJBSMA-NSHDSACASA-N 1 1 228.405 2.085 10 0 BEAEMO C[C@H]1CCCC[N@H+]1CC1(CO)CCCC1 ZINC000049815050 177075694 /nfs/dbraw/zinc/07/56/94/177075694.db2.gz RBUGFQAYQPRWII-LBPRGKRZSA-N 1 1 211.349 2.414 10 0 BEAEMO C[C@H]1CCCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116174 177079197 /nfs/dbraw/zinc/07/91/97/177079197.db2.gz ZIAJAHNHZIKPEM-LNSITVRQSA-N 1 1 247.338 2.355 10 0 BEAEMO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1ccncc1 ZINC000036775727 177085668 /nfs/dbraw/zinc/08/56/68/177085668.db2.gz ZZDBJKTZMIKCAJ-ZFWWWQNUSA-N 1 1 247.386 2.421 10 0 BEAEMO C[C@H]1CCCC[C@@]1(CN)[N@@H+](C)Cc1ccncc1 ZINC000036775727 177085669 /nfs/dbraw/zinc/08/56/69/177085669.db2.gz ZZDBJKTZMIKCAJ-ZFWWWQNUSA-N 1 1 247.386 2.421 10 0 BEAEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(CN)CCCC1 ZINC000050563969 177096308 /nfs/dbraw/zinc/09/63/08/177096308.db2.gz LJJKYTDIDQHBSQ-NWDGAFQWSA-N 1 1 210.365 2.378 10 0 BEAEMO C[C@H]1CCC[N@@H+](CC(=O)c2ccn(C)c2)CC1 ZINC000104354837 177096557 /nfs/dbraw/zinc/09/65/57/177096557.db2.gz HLTSCKAHTWLDOB-LBPRGKRZSA-N 1 1 234.343 2.330 10 0 BEAEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCNCc1cccnc1 ZINC000053387018 177097412 /nfs/dbraw/zinc/09/74/12/177097412.db2.gz AOARHJQCXCWWKB-UONOGXRCSA-N 1 1 247.386 2.292 10 0 BEAEMO C[C@@H]1[C@@H](C)CCCN1CC[NH2+]Cc1cccnc1 ZINC000053387018 177097413 /nfs/dbraw/zinc/09/74/13/177097413.db2.gz AOARHJQCXCWWKB-UONOGXRCSA-N 1 1 247.386 2.292 10 0 BEAEMO C[C@H]1CCC[N@H+]([C@H](CN)Cc2ccccc2)C1 ZINC000036874652 177105240 /nfs/dbraw/zinc/10/52/40/177105240.db2.gz VIWDYINCGBDMID-ZFWWWQNUSA-N 1 1 232.371 2.288 10 0 BEAEMO C[C@H]1CCCN([C@H](C[NH3+])Cc2ccccc2)C1 ZINC000036874652 177105241 /nfs/dbraw/zinc/10/52/41/177105241.db2.gz VIWDYINCGBDMID-ZFWWWQNUSA-N 1 1 232.371 2.288 10 0 BEAEMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(N)c1 ZINC000037909836 177108587 /nfs/dbraw/zinc/10/85/87/177108587.db2.gz GZFONXVQPGVEKB-NSHDSACASA-N 1 1 247.342 2.082 10 0 BEAEMO C[C@H]1CCC[N@H+]1Cc1cc(N)cc2c1OCOC2 ZINC000037909706 177111134 /nfs/dbraw/zinc/11/11/34/177111134.db2.gz HXEIDRDIVDXGDJ-JTQLQIEISA-N 1 1 248.326 2.120 10 0 BEAEMO C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037910546 177111901 /nfs/dbraw/zinc/11/19/01/177111901.db2.gz QSDUHODVKJKQLU-GLQYFDAESA-N 1 1 230.355 2.486 10 0 BEAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC(N)=S ZINC000019518815 177116355 /nfs/dbraw/zinc/11/63/55/177116355.db2.gz NZSYGLHLRHVWSH-AOOOYVTPSA-N 1 1 214.378 2.316 10 0 BEAEMO C[C@H]1CCC[C@](CN)([N@H+]2CCCSCC2)C1 ZINC000042443560 177143717 /nfs/dbraw/zinc/14/37/17/177143717.db2.gz ZQURSAWNDIIHRF-STQMWFEESA-N 1 1 242.432 2.333 10 0 BEAEMO C[C@H]1CCN(CCc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049667378 177161666 /nfs/dbraw/zinc/16/16/66/177161666.db2.gz MWECQUJMWFOPOW-STQMWFEESA-N 1 1 236.359 2.285 10 0 BEAEMO C[C@@H]1CCN(CCc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666811 177162366 /nfs/dbraw/zinc/16/23/66/177162366.db2.gz BPEJRLWFICLCFM-OKILXGFUSA-N 1 1 247.386 2.087 10 0 BEAEMO C[C@H]1CC[N@H+](Cc2cc(Br)no2)C1 ZINC000276501029 177163968 /nfs/dbraw/zinc/16/39/68/177163968.db2.gz CDBPNUJMCKPXCA-ZETCQYMHSA-N 1 1 245.120 2.279 10 0 BEAEMO C[C@H]1CC[N@@H+](Cc2cc(Br)no2)C1 ZINC000276501029 177163969 /nfs/dbraw/zinc/16/39/69/177163969.db2.gz CDBPNUJMCKPXCA-ZETCQYMHSA-N 1 1 245.120 2.279 10 0 BEAEMO C[C@H]1CC[C@@H]([N@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018873 177192108 /nfs/dbraw/zinc/19/21/08/177192108.db2.gz HFCZIAJOQQASIY-CMPLNLGQSA-N 1 1 232.327 2.334 10 0 BEAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CCS1 ZINC000171688055 177266912 /nfs/dbraw/zinc/26/69/12/177266912.db2.gz BECAORGOWNCBDX-JTQLQIEISA-N 1 1 208.330 2.019 10 0 BEAEMO C[C@H]1C[N@H+](Cc2cncs2)CCS1 ZINC000131325423 177268880 /nfs/dbraw/zinc/26/88/80/177268880.db2.gz BBKSDWLMLQKGFW-QMMMGPOBSA-N 1 1 214.359 2.080 10 0 BEAEMO C[C@H]1C[N@@H+](Cc2cncs2)CCS1 ZINC000131325423 177268882 /nfs/dbraw/zinc/26/88/82/177268882.db2.gz BBKSDWLMLQKGFW-QMMMGPOBSA-N 1 1 214.359 2.080 10 0 BEAEMO C[C@H]1CN([C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000051987312 177274698 /nfs/dbraw/zinc/27/46/98/177274698.db2.gz CGPKWJIFCNYTEK-FPMFFAJLSA-N 1 1 246.354 2.179 10 0 BEAEMO C[C@H]1CNC(C)(C)C[N@H+]1C1CCCCC1 ZINC000041225123 177281834 /nfs/dbraw/zinc/28/18/34/177281834.db2.gz NIJVLEXSFYYLLB-NSHDSACASA-N 1 1 210.365 2.391 10 0 BEAEMO C[C@H]1CNC[C@H](C)[NH+]1CCCc1ccccc1 ZINC000019801304 177286324 /nfs/dbraw/zinc/28/63/24/177286324.db2.gz QSKCRZDQFVKMFM-KBPBESRZSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CN)c2ccccn2)C1 ZINC000019274124 177314103 /nfs/dbraw/zinc/31/41/03/177314103.db2.gz ZUZBGWZLYDNQII-SCRDCRAPSA-N 1 1 233.359 2.059 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](CN)c2ccccn2)C1 ZINC000019274124 177314105 /nfs/dbraw/zinc/31/41/05/177314105.db2.gz ZUZBGWZLYDNQII-SCRDCRAPSA-N 1 1 233.359 2.059 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccoc2CN)C1 ZINC000052420664 177314569 /nfs/dbraw/zinc/31/45/69/177314569.db2.gz KQUWQTLHPQKKMX-PHIMTYICSA-N 1 1 222.332 2.216 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C[C@H](c1ccncc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093952462 537815284 /nfs/dbraw/zinc/81/52/84/537815284.db2.gz MVMIQTZTLIYTRI-UKRRQHHQSA-N 1 1 245.370 2.313 10 0 BEAEMO Nc1ccc[nH+]c1N1CCC(CCF)CC1 ZINC000409425144 343818145 /nfs/dbraw/zinc/81/81/45/343818145.db2.gz FEWMNNPXDVHYGV-UHFFFAOYSA-N 1 1 223.295 2.240 10 0 BEAEMO CC(C)[N@@H+](Cc1cccc(N)c1)[C@H]1CCOC1 ZINC000070533301 187274447 /nfs/dbraw/zinc/27/44/47/187274447.db2.gz SJSADVFSHQNXOO-AWEZNQCLSA-N 1 1 234.343 2.268 10 0 BEAEMO NC(=[NH2+])CCc1c(C2CC2)n[nH]c1C1CCC1 ZINC000409442162 343857378 /nfs/dbraw/zinc/85/73/78/343857378.db2.gz XDNFPNXYMVSQCQ-UHFFFAOYSA-N 1 1 232.331 2.423 10 0 BEAEMO CC(C)Cc1n[nH]c(C2CCC2)c1C[NH3+] ZINC000409441615 343860170 /nfs/dbraw/zinc/86/01/70/343860170.db2.gz SFNDLHPNGHCAOW-UHFFFAOYSA-N 1 1 207.321 2.334 10 0 BEAEMO CCC[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC000082926142 362272184 /nfs/dbraw/zinc/27/21/84/362272184.db2.gz BXEHXSDQYIJADL-ZDUSSCGKSA-N 1 1 204.317 2.043 10 0 BEAEMO CCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000082926142 362272189 /nfs/dbraw/zinc/27/21/89/362272189.db2.gz BXEHXSDQYIJADL-ZDUSSCGKSA-N 1 1 204.317 2.043 10 0 BEAEMO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000335919690 344087060 /nfs/dbraw/zinc/08/70/60/344087060.db2.gz UEVSTUYBTLCFNQ-WDEREUQCSA-N 1 1 249.276 2.484 10 0 BEAEMO C[NH2+][C@@H](C)CCN(C)Cc1ccccc1 ZINC000043816450 344236735 /nfs/dbraw/zinc/23/67/35/344236735.db2.gz KNVLQNQYALCQEX-LBPRGKRZSA-N 1 1 206.333 2.116 10 0 BEAEMO CC[N@H+]1CCC[C@](O)(c2ccc(F)cc2)C1 ZINC000616577443 344200832 /nfs/dbraw/zinc/20/08/32/344200832.db2.gz XCJXWWRRTKJFFN-CYBMUJFWSA-N 1 1 223.291 2.129 10 0 BEAEMO CC(C)(C)c1cc[nH+]c(N2CCC[C@H]2CO)c1 ZINC000641344168 362372374 /nfs/dbraw/zinc/37/23/74/362372374.db2.gz JLHLDCIJWQADCA-LBPRGKRZSA-N 1 1 234.343 2.340 10 0 BEAEMO FC1(Cc2ccccc2Br)C[NH2+]C1 ZINC000158116693 344243327 /nfs/dbraw/zinc/24/33/27/344243327.db2.gz SUBXAJDEPUZNSO-UHFFFAOYSA-N 1 1 244.107 2.303 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)c1ccco1 ZINC000158063275 344363427 /nfs/dbraw/zinc/36/34/27/344363427.db2.gz VSHQLNQGZSCENQ-VHSXEESVSA-N 1 1 207.273 2.193 10 0 BEAEMO CC(C)[N@H+]1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616600405 344444238 /nfs/dbraw/zinc/44/42/38/344444238.db2.gz DSKKHLIFGXGJRE-LLVKDONJSA-N 1 1 207.321 2.388 10 0 BEAEMO CC(C)(C)[N@H+]1CCCC[C@H]1c1conn1 ZINC000616616058 344544595 /nfs/dbraw/zinc/54/45/95/344544595.db2.gz YPIZXFIRJCANBF-JTQLQIEISA-N 1 1 209.293 2.395 10 0 BEAEMO Fc1cccc(Cl)c1CC1(F)C[NH2+]C1 ZINC000158115938 344547354 /nfs/dbraw/zinc/54/73/54/344547354.db2.gz NGBABHASUVKPKY-UHFFFAOYSA-N 1 1 217.646 2.333 10 0 BEAEMO C[C@@H]1CCC[N@@H+](CC(=O)C2CCCC2)C1 ZINC000158169153 344558613 /nfs/dbraw/zinc/55/86/13/344558613.db2.gz MFWDHYIZFWCFQE-LLVKDONJSA-N 1 1 209.333 2.478 10 0 BEAEMO O=C(C[NH+]1CCSCC1)C1CCCCC1 ZINC000158215289 344565923 /nfs/dbraw/zinc/56/59/23/344565923.db2.gz STRFFZWIFGCICD-UHFFFAOYSA-N 1 1 227.373 2.185 10 0 BEAEMO Nc1[nH]c2c([nH+]1)-c1ccc(Cl)cc1C2 ZINC000128051657 344725501 /nfs/dbraw/zinc/72/55/01/344725501.db2.gz KUGGOTVAFBWZDH-UHFFFAOYSA-N 1 1 205.648 2.217 10 0 BEAEMO Oc1ccc2c(c1)C[N@@H+](C1CCC1)CC2 ZINC000221517126 344751948 /nfs/dbraw/zinc/75/19/48/344751948.db2.gz HTCAUWQDCCVNQB-UHFFFAOYSA-N 1 1 203.285 2.303 10 0 BEAEMO CC1=NN(C)C(=O)C1c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000675052795 537860436 /nfs/dbraw/zinc/86/04/36/537860436.db2.gz ASKKOJZYJKXBBT-ZETCQYMHSA-N 1 1 249.289 2.260 10 0 BEAEMO CS[C@@H]1CC[C@@H]([N@H+]2CCC(=O)[C@@H](C)C2)C1 ZINC000235258365 344859996 /nfs/dbraw/zinc/85/99/96/344859996.db2.gz JCJVQOMZVZVDIL-HBNTYKKESA-N 1 1 227.373 2.181 10 0 BEAEMO C[C@@H](Cc1[nH]cc[nH+]1)O[C@@H]1C[C@H](C)CCC1=O ZINC000428190183 345079045 /nfs/dbraw/zinc/07/90/45/345079045.db2.gz XMRDPOXURYNPMM-JFGNBEQYSA-N 1 1 236.315 2.115 10 0 BEAEMO NC[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044469094 345084937 /nfs/dbraw/zinc/08/49/37/345084937.db2.gz AHOCQBHKYVGQMC-HNNXBMFYSA-N 1 1 242.322 2.224 10 0 BEAEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1ccco1 ZINC000130791039 345283212 /nfs/dbraw/zinc/28/32/12/345283212.db2.gz TYJDRBADUBOMTG-CYBMUJFWSA-N 1 1 236.359 2.490 10 0 BEAEMO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000130791039 345283217 /nfs/dbraw/zinc/28/32/17/345283217.db2.gz TYJDRBADUBOMTG-CYBMUJFWSA-N 1 1 236.359 2.490 10 0 BEAEMO CC(=O)CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481101 187302286 /nfs/dbraw/zinc/30/22/86/187302286.db2.gz AFVCEHAAUBMBJE-CQSZACIVSA-N 1 1 232.327 2.152 10 0 BEAEMO CCC(C)(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159118533 345410639 /nfs/dbraw/zinc/41/06/39/345410639.db2.gz ICFHSGDYSTXLDW-RYUDHWBXSA-N 1 1 240.391 2.268 10 0 BEAEMO CCC[C@H](C)C[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000051323776 345401290 /nfs/dbraw/zinc/40/12/90/345401290.db2.gz SCDCKCMMAAOFRY-WDEREUQCSA-N 1 1 215.337 2.164 10 0 BEAEMO CCC[C@@H](C)C[N@@H+](CC(=O)OC)C(C)C ZINC000051323742 345401500 /nfs/dbraw/zinc/40/15/00/345401500.db2.gz KGHARWKIPRPQOJ-LLVKDONJSA-N 1 1 215.337 2.306 10 0 BEAEMO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(C)(F)F)C1(C)C ZINC000378769940 345560627 /nfs/dbraw/zinc/56/06/27/345560627.db2.gz FIMDVCSJOKWBAY-DJLDLDEBSA-N 1 1 221.291 2.291 10 0 BEAEMO O[C@@H]1CC[C@@H]2CC[C@H]1[N@H+]2Cc1ccccc1 ZINC000034431564 345832810 /nfs/dbraw/zinc/83/28/10/345832810.db2.gz FHKHUCUXDIOPGQ-BFHYXJOUSA-N 1 1 217.312 2.174 10 0 BEAEMO COc1ccc(C[C@H]2C=CCC[N@H+]2C)cc1 ZINC000143415100 345865345 /nfs/dbraw/zinc/86/53/45/345865345.db2.gz LIHKEIFCASSTAF-CYBMUJFWSA-N 1 1 217.312 2.498 10 0 BEAEMO CNc1cc(N2CCCC[C@H]2C)[nH+]c(C)n1 ZINC000087805869 345941236 /nfs/dbraw/zinc/94/12/36/345941236.db2.gz ZKVMCOWSXGSFJV-SECBINFHSA-N 1 1 220.320 2.206 10 0 BEAEMO Nc1ccc(N2CCC[C@H](C(F)(F)F)C2)[nH+]c1 ZINC000088417484 345944480 /nfs/dbraw/zinc/94/44/80/345944480.db2.gz JXDQWNWBQDWHAH-QMMMGPOBSA-N 1 1 245.248 2.443 10 0 BEAEMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000286220697 187361744 /nfs/dbraw/zinc/36/17/44/187361744.db2.gz SILWRFCQJUKEQF-ZYHUDNBSSA-N 1 1 225.311 2.336 10 0 BEAEMO Cc1ccc2nc(SCCC[NH3+])[nH]c2c1 ZINC000020396585 178979721 /nfs/dbraw/zinc/97/97/21/178979721.db2.gz WEERUMUSHHKCSD-UHFFFAOYSA-N 1 1 221.329 2.312 10 0 BEAEMO Cc1cccc(C(=O)C[NH+]2CCCC2)c1 ZINC000037332186 179004649 /nfs/dbraw/zinc/00/46/49/179004649.db2.gz VFMAPHRCFINFBR-UHFFFAOYSA-N 1 1 203.285 2.274 10 0 BEAEMO CC(C)(C)C(=O)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000669376696 537962398 /nfs/dbraw/zinc/96/23/98/537962398.db2.gz IQTDVQGBTXZVLQ-JTQLQIEISA-N 1 1 209.264 2.441 10 0 BEAEMO CC(=O)N1CC[N@H+]([C@@H]2CC[C@H](C)C2)C(C)(C)C1 ZINC000336467257 187368556 /nfs/dbraw/zinc/36/85/56/187368556.db2.gz VREXJRVXOAHYHS-WCQYABFASA-N 1 1 238.375 2.118 10 0 BEAEMO CC[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000334185932 346439048 /nfs/dbraw/zinc/43/90/48/346439048.db2.gz FASAKMNJKJWJPF-GFCCVEGCSA-N 1 1 219.332 2.445 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000334185932 346439051 /nfs/dbraw/zinc/43/90/51/346439051.db2.gz FASAKMNJKJWJPF-GFCCVEGCSA-N 1 1 219.332 2.445 10 0 BEAEMO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(C)(F)F)C12CCC2 ZINC000382039110 347093907 /nfs/dbraw/zinc/09/39/07/347093907.db2.gz WXPXQXLYMOXFJQ-OPRDCNLKSA-N 1 1 233.302 2.435 10 0 BEAEMO CC1(C)C[C@@H]([NH2+]C2COC2)c2ccccc2O1 ZINC000163029527 346545729 /nfs/dbraw/zinc/54/57/29/346545729.db2.gz JDHIQKYCYAHHCJ-GFCCVEGCSA-N 1 1 233.311 2.277 10 0 BEAEMO C[C@H]1C[N@@H+](C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779763 346589756 /nfs/dbraw/zinc/58/97/56/346589756.db2.gz WFNALLOMRMDNSP-GXFFZTMASA-N 1 1 239.746 2.499 10 0 BEAEMO CC(C)(C)OC(=O)[C@]1(C)CCCCC[NH2+]1 ZINC000669380141 537984620 /nfs/dbraw/zinc/98/46/20/537984620.db2.gz QSJGWLZUWOBASC-LBPRGKRZSA-N 1 1 213.321 2.250 10 0 BEAEMO Cc1cccc(N[C@@H](C)[C@H]2CCCO2)[nH+]1 ZINC000037670702 179153897 /nfs/dbraw/zinc/15/38/97/179153897.db2.gz IFYNYQYEFNNXAS-WDEREUQCSA-N 1 1 206.289 2.369 10 0 BEAEMO C[C@H](c1ccccc1)[N@@H+]1C[C@H](N)C2(CC2)C1 ZINC000038768145 347163874 /nfs/dbraw/zinc/16/38/74/347163874.db2.gz LQXLEBQQOBROTO-YPMHNXCESA-N 1 1 216.328 2.171 10 0 BEAEMO C[C@H](c1ccccc1)[N@H+]1C[C@H](N)C2(CC2)C1 ZINC000038768145 347163876 /nfs/dbraw/zinc/16/38/76/347163876.db2.gz LQXLEBQQOBROTO-YPMHNXCESA-N 1 1 216.328 2.171 10 0 BEAEMO Cc1nnc(S[C@H](C[NH3+])c2cccc(C)c2)[nH]1 ZINC000042970503 179184806 /nfs/dbraw/zinc/18/48/06/179184806.db2.gz GPDCKJFQMKOBOU-LLVKDONJSA-N 1 1 248.355 2.214 10 0 BEAEMO Cc1n[nH]c(S[C@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042970503 179184808 /nfs/dbraw/zinc/18/48/08/179184808.db2.gz GPDCKJFQMKOBOU-LLVKDONJSA-N 1 1 248.355 2.214 10 0 BEAEMO Cc1cccc([C@@H](C[NH3+])N2CCCC2)c1C ZINC000043314380 179185129 /nfs/dbraw/zinc/18/51/29/179185129.db2.gz WTEAFYNKRAVLNK-CQSZACIVSA-N 1 1 218.344 2.399 10 0 BEAEMO Cc1cccc([C@H](CN)[N@@H+](C)CC2CC2)c1 ZINC000020225518 179199352 /nfs/dbraw/zinc/19/93/52/179199352.db2.gz VXOPYDHBTBNISH-AWEZNQCLSA-N 1 1 218.344 2.337 10 0 BEAEMO Cc1cccc([C@H](C[NH3+])N(C)CC2CC2)c1 ZINC000020225518 179199355 /nfs/dbraw/zinc/19/93/55/179199355.db2.gz VXOPYDHBTBNISH-AWEZNQCLSA-N 1 1 218.344 2.337 10 0 BEAEMO C[C@@H]1C[N@@H+](C(C2CC2)C2CC2)C[C@@]1(C)CN ZINC000380729190 347267692 /nfs/dbraw/zinc/26/76/92/347267692.db2.gz PYRNKNDFFAKANV-QMTHXVAHSA-N 1 1 222.376 2.092 10 0 BEAEMO C[C@@H]1C[N@H+](C(C2CC2)C2CC2)C[C@@]1(C)CN ZINC000380729190 347267696 /nfs/dbraw/zinc/26/76/96/347267696.db2.gz PYRNKNDFFAKANV-QMTHXVAHSA-N 1 1 222.376 2.092 10 0 BEAEMO Cc1cccc2c([C@H](CN)[NH+](C)C)c[nH]c21 ZINC000082596844 179211757 /nfs/dbraw/zinc/21/17/57/179211757.db2.gz CEUIXMIYVWQYKE-LBPRGKRZSA-N 1 1 217.316 2.038 10 0 BEAEMO CCCC[N@@H+](CC)C[C@H](N)CC(C)C ZINC000020072977 347403014 /nfs/dbraw/zinc/40/30/14/347403014.db2.gz MMGJJAGIUWQUPY-GFCCVEGCSA-N 1 1 200.370 2.482 10 0 BEAEMO CCCCN(CC)C[C@H]([NH3+])CC(C)C ZINC000020072977 347403015 /nfs/dbraw/zinc/40/30/15/347403015.db2.gz MMGJJAGIUWQUPY-GFCCVEGCSA-N 1 1 200.370 2.482 10 0 BEAEMO C[C@@]1(CN2CC[N@H+]3CCC[C@H]3C2)CCCS1 ZINC000250789663 362820530 /nfs/dbraw/zinc/82/05/30/362820530.db2.gz IBSDPYGDUNCBNZ-STQMWFEESA-N 1 1 240.416 2.052 10 0 BEAEMO C[C@@]1(C[N@@H+]2CCN3CCC[C@H]3C2)CCCS1 ZINC000250789663 362820536 /nfs/dbraw/zinc/82/05/36/362820536.db2.gz IBSDPYGDUNCBNZ-STQMWFEESA-N 1 1 240.416 2.052 10 0 BEAEMO C[C@@]1(C[N@H+]2CCN3CCC[C@H]3C2)CCCS1 ZINC000250789663 362820540 /nfs/dbraw/zinc/82/05/40/362820540.db2.gz IBSDPYGDUNCBNZ-STQMWFEESA-N 1 1 240.416 2.052 10 0 BEAEMO Cc1cccc2oc([C@H]([NH3+])Cc3c[nH]cn3)nc21 ZINC000038052748 179233453 /nfs/dbraw/zinc/23/34/53/179233453.db2.gz PMZQHSMKHLYOND-SNVBAGLBSA-N 1 1 242.282 2.102 10 0 BEAEMO Cc1ccccc1C(=O)CC[N@H+]1CCCOCC1 ZINC000061934048 179246443 /nfs/dbraw/zinc/24/64/43/179246443.db2.gz SDUQWONIRXWIBP-UHFFFAOYSA-N 1 1 247.338 2.290 10 0 BEAEMO Cc1ccccc1CCC[NH2+]CCCN(C)C ZINC000076284391 179262370 /nfs/dbraw/zinc/26/23/70/179262370.db2.gz FVEUGNBTXZBOPM-UHFFFAOYSA-N 1 1 234.387 2.469 10 0 BEAEMO Cc1ccccc1CN(C)C[C@@H]1C[NH2+]C[C@@H]1C ZINC000104213303 179268989 /nfs/dbraw/zinc/26/89/89/179268989.db2.gz SSVDUVPVOMMYDF-ZFWWWQNUSA-N 1 1 232.371 2.282 10 0 BEAEMO Cc1ccccc1[C@@H](C)N1CCC[NH2+]CC1 ZINC000022100905 179318226 /nfs/dbraw/zinc/31/82/26/179318226.db2.gz WJUIMHAJTSIFDX-CYBMUJFWSA-N 1 1 218.344 2.351 10 0 BEAEMO Cc1conc1C[NH2+]Cc1ccccc1 ZINC000616570188 347914523 /nfs/dbraw/zinc/91/45/23/347914523.db2.gz FLGUJEXYQOIYPF-UHFFFAOYSA-N 1 1 202.257 2.273 10 0 BEAEMO OCC[N@H+]1CC[C@H](c2cccc3cnccc32)C1 ZINC000616613647 349979221 /nfs/dbraw/zinc/97/92/21/349979221.db2.gz OSJQDQYMQWEECR-ZDUSSCGKSA-N 1 1 242.322 2.016 10 0 BEAEMO Cc1cccnc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000227423188 179378814 /nfs/dbraw/zinc/37/88/14/179378814.db2.gz UZRBUSNCIVFJHW-ZIAGYGMSSA-N 1 1 245.370 2.059 10 0 BEAEMO CCOC(=O)[C@H](C)[N@@H+](C)CCCC1CCC1 ZINC000595374676 348232383 /nfs/dbraw/zinc/23/23/83/348232383.db2.gz AZEGYZPLWDQQGJ-NSHDSACASA-N 1 1 227.348 2.450 10 0 BEAEMO Cc1n[nH]c(C)c1C[NH2+]Cc1ncccc1C ZINC000071339669 179383238 /nfs/dbraw/zinc/38/32/38/179383238.db2.gz MOTNDNXKQGUSLK-UHFFFAOYSA-N 1 1 230.315 2.020 10 0 BEAEMO Cc1ccc[nH+]c1N[C@H](CO)Cc1ccccc1 ZINC000063218800 179395469 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C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC1=CCCC1 ZINC000645802697 387940468 /nfs/dbraw/zinc/94/04/68/387940468.db2.gz GGRPFXKIXUMYMC-TZMCWYRMSA-N 1 1 220.360 2.265 10 0 BEAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ncc(C)o1 ZINC000245440117 387946168 /nfs/dbraw/zinc/94/61/68/387946168.db2.gz UFDOKEMNNPUMAC-STQMWFEESA-N 1 1 249.358 2.042 10 0 BEAEMO COC[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000245461988 387948284 /nfs/dbraw/zinc/94/82/84/387948284.db2.gz WRVMWWPXRBFTES-QWRGUYRKSA-N 1 1 209.289 2.451 10 0 BEAEMO CCn1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245545910 387959305 /nfs/dbraw/zinc/95/93/05/387959305.db2.gz UQBYBNRPJXSVNR-ZIAGYGMSSA-N 1 1 249.358 2.046 10 0 BEAEMO CCn1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000245545910 387959309 /nfs/dbraw/zinc/95/93/09/387959309.db2.gz UQBYBNRPJXSVNR-ZIAGYGMSSA-N 1 1 249.358 2.046 10 0 BEAEMO CC[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245640655 387969343 /nfs/dbraw/zinc/96/93/43/387969343.db2.gz DKJRBRZPFMKRAB-BYCMXARLSA-N 1 1 231.339 2.377 10 0 BEAEMO COCCCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245872909 387990678 /nfs/dbraw/zinc/99/06/78/387990678.db2.gz XCCGVGOTAFCVGT-ZIAGYGMSSA-N 1 1 241.375 2.447 10 0 BEAEMO C[N@@H+](Cc1ccco1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245846751 387986054 /nfs/dbraw/zinc/98/60/54/387986054.db2.gz LJBXHOVVNONRET-LSDHHAIUSA-N 1 1 243.306 2.370 10 0 BEAEMO CC[N@H+]1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000246200396 388020627 /nfs/dbraw/zinc/02/06/27/388020627.db2.gz BBBPKCLMMDMKGB-ZIAGYGMSSA-N 1 1 247.338 2.285 10 0 BEAEMO CC[C@@H](C)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246309900 388030588 /nfs/dbraw/zinc/03/05/88/388030588.db2.gz WDNPOXDAPZBVTM-CHWSQXEVSA-N 1 1 236.363 2.036 10 0 BEAEMO CC[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000195007278 388082002 /nfs/dbraw/zinc/08/20/02/388082002.db2.gz ZAJDHDCOWSWRPS-LBPRGKRZSA-N 1 1 248.374 2.457 10 0 BEAEMO CC[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000195007278 388082004 /nfs/dbraw/zinc/08/20/04/388082004.db2.gz ZAJDHDCOWSWRPS-LBPRGKRZSA-N 1 1 248.374 2.457 10 0 BEAEMO c1csc([C@H](C2CCC2)[NH+]2CCNCC2)c1 ZINC000071547502 388098100 /nfs/dbraw/zinc/09/81/00/388098100.db2.gz CCDCKNHUPREZSD-ZDUSSCGKSA-N 1 1 236.384 2.495 10 0 BEAEMO CCOc1cccc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400317825 388111424 /nfs/dbraw/zinc/11/14/24/388111424.db2.gz ADWZYTYVYVIVDH-GXTWGEPZSA-N 1 1 248.370 2.173 10 0 BEAEMO COc1ccc(CC[N@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000296156074 388418024 /nfs/dbraw/zinc/41/80/24/388418024.db2.gz KHVWQAAYMWPBHT-SWLSCSKDSA-N 1 1 249.354 2.083 10 0 BEAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cnn[nH]2)cc1C ZINC000296279410 388420606 /nfs/dbraw/zinc/42/06/06/388420606.db2.gz KVOKGNGEFWCLDR-LLVKDONJSA-N 1 1 230.315 2.272 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1c(F)cccc1F ZINC000296334479 388421447 /nfs/dbraw/zinc/42/14/47/388421447.db2.gz QYEOKHYCDBYWAZ-RNCFNFMXSA-N 1 1 241.281 2.310 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1c(F)cccc1F ZINC000296334479 388421450 /nfs/dbraw/zinc/42/14/50/388421450.db2.gz QYEOKHYCDBYWAZ-RNCFNFMXSA-N 1 1 241.281 2.310 10 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C[C@@H]([NH3+])c1nnc(N2CCCc3ccccc32)o1 ZINC000011570397 132243798 /nfs/dbraw/zinc/24/37/98/132243798.db2.gz AYOIVRRVSQUPOD-SECBINFHSA-N 1 1 244.298 2.174 10 0 BEAEMO CC[C@H]1CCCCN1c1ccc(N)[nH+]c1 ZINC000019952646 132329120 /nfs/dbraw/zinc/32/91/20/132329120.db2.gz QOMXYEBAGOFPCR-JTQLQIEISA-N 1 1 205.305 2.433 10 0 BEAEMO Cc1cc([N@@H+]2CCCC[C@H]2CCO)ccc1N ZINC000057454355 132365963 /nfs/dbraw/zinc/36/59/63/132365963.db2.gz HWABGQBKZWMQDZ-LBPRGKRZSA-N 1 1 234.343 2.319 10 0 BEAEMO Cc1cc([N@H+]2CCCC[C@H]2CCO)ccc1N ZINC000057454355 132365964 /nfs/dbraw/zinc/36/59/64/132365964.db2.gz HWABGQBKZWMQDZ-LBPRGKRZSA-N 1 1 234.343 2.319 10 0 BEAEMO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCCO2)o1 ZINC000220921485 134315060 /nfs/dbraw/zinc/31/50/60/134315060.db2.gz FEETVVHPCHFIKZ-QWRGUYRKSA-N 1 1 224.304 2.203 10 0 BEAEMO c1coc([C@H]2C[N@H+](C3CCC3)CCO2)c1 ZINC000179583895 134321776 /nfs/dbraw/zinc/32/17/76/134321776.db2.gz FZZNZCCDLJTKHY-GFCCVEGCSA-N 1 1 207.273 2.205 10 0 BEAEMO 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CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H](O)COC(C)(C)C ZINC000185591998 134382130 /nfs/dbraw/zinc/38/21/30/134382130.db2.gz ZVTFWQCZOGUEOU-RWMBFGLXSA-N 1 1 243.391 2.283 10 0 BEAEMO OCC[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000227569833 134383301 /nfs/dbraw/zinc/38/33/01/134383301.db2.gz WFDFHJHNHAZEJF-LLVKDONJSA-N 1 1 246.310 2.032 10 0 BEAEMO OCC[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC000227567915 134383517 /nfs/dbraw/zinc/38/35/17/134383517.db2.gz XZHJTSPZVRPRDT-AWEZNQCLSA-N 1 1 249.354 2.160 10 0 BEAEMO Cc1nc(C[N@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762768 134711999 /nfs/dbraw/zinc/71/19/99/134711999.db2.gz UXWLAOLHPVLMBQ-LBPRGKRZSA-N 1 1 240.372 2.188 10 0 BEAEMO CC[C@H](C)C[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248550166 135003637 /nfs/dbraw/zinc/00/36/37/135003637.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 1 1 222.336 2.378 10 0 BEAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000248640254 135016843 /nfs/dbraw/zinc/01/68/43/135016843.db2.gz BQKYVUPLDRYBSD-MGPQQGTHSA-N 1 1 243.391 2.284 10 0 BEAEMO 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224.392 2.495 10 0 BEAEMO CC[C@H]1CCCCC[N@H+]1C[C@H](C)C(=O)OC ZINC000252873111 135115075 /nfs/dbraw/zinc/11/50/75/135115075.db2.gz VJGCYUKUFFCIQP-RYUDHWBXSA-N 1 1 227.348 2.450 10 0 BEAEMO COC[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253086511 135119965 /nfs/dbraw/zinc/11/99/65/135119965.db2.gz BQEUDUGSBOMBDB-IGQOVBAYSA-N 1 1 241.375 2.037 10 0 BEAEMO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088527 135120702 /nfs/dbraw/zinc/12/07/02/135120702.db2.gz FKZKMIAMKZYGPU-UPJWGTAASA-N 1 1 211.349 2.412 10 0 BEAEMO NC[C@H]1CCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533074 135163999 /nfs/dbraw/zinc/16/39/99/135163999.db2.gz FSBRYYUMRHERDW-WDEREUQCSA-N 1 1 232.318 2.235 10 0 BEAEMO [NH3+]C[C@H]1CCCN1C[C@H]1CCCC(F)(F)C1 ZINC000261533074 135164000 /nfs/dbraw/zinc/16/40/00/135164000.db2.gz FSBRYYUMRHERDW-WDEREUQCSA-N 1 1 232.318 2.235 10 0 BEAEMO C[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H](CN)C1CC1 ZINC000261538145 135175225 /nfs/dbraw/zinc/17/52/25/135175225.db2.gz IRSJDDXFEIPUBV-PWSUYJOCSA-N 1 1 246.345 2.481 10 0 BEAEMO CCc1ccc(C[NH+]2CC(O)(CC)C2)cc1 ZINC000084360148 135214130 /nfs/dbraw/zinc/21/41/30/135214130.db2.gz NOOWUWRAODMDPE-UHFFFAOYSA-N 1 1 219.328 2.206 10 0 BEAEMO C([C@@H]1CCC[NH2+]C1)[N@H+]1CCCC2(CCC2)C1 ZINC000261802036 135254645 /nfs/dbraw/zinc/25/46/45/135254645.db2.gz HAAKFTDDPZCJFG-CYBMUJFWSA-N 1 1 222.376 2.252 10 0 BEAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1conc1C ZINC000334174033 135398314 /nfs/dbraw/zinc/39/83/14/135398314.db2.gz BXHRGMODRHTQDB-KGLIPLIRSA-N 1 1 249.358 2.042 10 0 BEAEMO CCC[C@H](C(=O)OCC)[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000348261898 136057802 /nfs/dbraw/zinc/05/78/02/136057802.db2.gz HKHANGVFQGSYKQ-SDDRHHMPSA-N 1 1 225.332 2.203 10 0 BEAEMO Cc1cnc([C@H](C)NCC[C@@H]2CCC[N@H+]2C)o1 ZINC000348361557 136072458 /nfs/dbraw/zinc/07/24/58/136072458.db2.gz SXMRFDFKJJPDRD-RYUDHWBXSA-N 1 1 237.347 2.118 10 0 BEAEMO CCOc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)cc1 ZINC000295118452 397758501 /nfs/dbraw/zinc/75/85/01/397758501.db2.gz 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BEAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000155563334 167028391 /nfs/dbraw/zinc/02/83/91/167028391.db2.gz AJFOQEDAKZSYLT-OCCSQVGLSA-N 1 1 246.354 2.145 10 0 BEAEMO CC(C)[N@H+]1C[C@H](C)NC[C@H]1c1ccccc1 ZINC000062608947 167032281 /nfs/dbraw/zinc/03/22/81/167032281.db2.gz JABAQTDHBSGHPY-JSGCOSHPSA-N 1 1 218.344 2.430 10 0 BEAEMO CC(C)N1C[C@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062608947 167032284 /nfs/dbraw/zinc/03/22/84/167032284.db2.gz JABAQTDHBSGHPY-JSGCOSHPSA-N 1 1 218.344 2.430 10 0 BEAEMO CC(C)[NH2+]C[C@H](C)CN(C)C[C@@H]1CCCCO1 ZINC000052507208 167113222 /nfs/dbraw/zinc/11/32/22/167113222.db2.gz IWZIOXULGKQASP-KBPBESRZSA-N 1 1 242.407 2.121 10 0 BEAEMO CC(C)[NH2+]Cc1c[nH]c(COc2ccccc2)n1 ZINC000062821333 167116464 /nfs/dbraw/zinc/11/64/64/167116464.db2.gz ZBTRDPLSGCJDKY-UHFFFAOYSA-N 1 1 245.326 2.487 10 0 BEAEMO CC(C)N[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000050270787 167139437 /nfs/dbraw/zinc/13/94/37/167139437.db2.gz HIFNDHOONVHYAO-LLVKDONJSA-N 1 1 244.285 2.286 10 0 BEAEMO CC(C)[NH2+][C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711588 167139529 /nfs/dbraw/zinc/13/95/29/167139529.db2.gz TTXJRELZAYEQAN-SNVBAGLBSA-N 1 1 232.249 2.102 10 0 BEAEMO CC(C)[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000051326302 167367593 /nfs/dbraw/zinc/36/75/93/167367593.db2.gz RIJATVOUXAGYFQ-RISCZKNCSA-N 1 1 236.359 2.279 10 0 BEAEMO CC(C)[C@@H](C[NH+](C)C)N[C@H](C)c1ccccn1 ZINC000049195688 167394677 /nfs/dbraw/zinc/39/46/77/167394677.db2.gz GHNVCADAYLPREW-TZMCWYRMSA-N 1 1 235.375 2.318 10 0 BEAEMO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H](C)[C@H]1O ZINC000661620065 411067621 /nfs/dbraw/zinc/06/76/21/411067621.db2.gz FZUBUMOKJFZFRD-FIRUKDTASA-N 1 1 245.366 2.275 10 0 BEAEMO CC(C)c1ccc(CN2CC[NH2+][C@H](C)C2=O)cc1 ZINC000077403413 167596531 /nfs/dbraw/zinc/59/65/31/167596531.db2.gz MAUBIHXVRPOWGZ-GFCCVEGCSA-N 1 1 246.354 2.130 10 0 BEAEMO Cc1cnc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000300711948 411189511 /nfs/dbraw/zinc/18/95/11/411189511.db2.gz 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/nfs/dbraw/zinc/38/72/08/173387208.db2.gz JVMPHPMPAPAHHD-NSHDSACASA-N 1 1 237.347 2.016 10 0 BEAEMO C[NH2+]Cc1nc(C)c(-c2cccs2)[nH]1 ZINC000041062185 173395946 /nfs/dbraw/zinc/39/59/46/173395946.db2.gz ZADUKHNNKFBVKU-UHFFFAOYSA-N 1 1 207.302 2.166 10 0 BEAEMO COC1CC[NH+]([C@@H](CN)c2ccc(C)cc2)CC1 ZINC000037265850 174029992 /nfs/dbraw/zinc/02/99/92/174029992.db2.gz SGSZFRWGDDXRJB-HNNXBMFYSA-N 1 1 248.370 2.106 10 0 BEAEMO COCCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000117876625 174189573 /nfs/dbraw/zinc/18/95/73/174189573.db2.gz NHAHBZDEWJCUOS-UHFFFAOYSA-N 1 1 237.347 2.016 10 0 BEAEMO COCCC[N@H+](C)[C@H](c1ccccc1)[C@H](C)N ZINC000062029283 174220069 /nfs/dbraw/zinc/22/00/69/174220069.db2.gz GUATVCWFYCWGFW-JSGCOSHPSA-N 1 1 236.359 2.043 10 0 BEAEMO COCCC[N@@H+](C)[C@H](c1ccccc1)[C@H](C)N ZINC000062029283 174220073 /nfs/dbraw/zinc/22/00/73/174220073.db2.gz GUATVCWFYCWGFW-JSGCOSHPSA-N 1 1 236.359 2.043 10 0 BEAEMO COCCC[N@@H+](Cc1cccc(N)c1)C1CC1 ZINC000037753932 174225794 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COc1ccccc1[C@@H]1CN(C(C)C)CC[NH2+]1 ZINC000077369936 175348743 /nfs/dbraw/zinc/34/87/43/175348743.db2.gz MWHYQNQYIQIIRZ-ZDUSSCGKSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1ccccc1[C@@H]([C@@H](C)N)[N@@H+]1CC[C@@H](C)C1 ZINC000043097836 175348890 /nfs/dbraw/zinc/34/88/90/175348890.db2.gz NVGVQRHISSGAPP-LALPHHSUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@@H]([C@@H](C)N)[N@H+]1CC[C@@H](C)C1 ZINC000043097836 175348891 /nfs/dbraw/zinc/34/88/91/175348891.db2.gz NVGVQRHISSGAPP-LALPHHSUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1[C@@H]1[C@@H](C[NH3+])CCCN1C ZINC000082334319 175349499 /nfs/dbraw/zinc/34/94/99/175349499.db2.gz ZGJLCYHBTNSBGW-RISCZKNCSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1ccccc1[C@H](C)[NH2+]Cc1cnc[nH]1 ZINC000054763454 175352386 /nfs/dbraw/zinc/35/23/86/175352386.db2.gz IMVPHKJZMPCELN-JTQLQIEISA-N 1 1 231.299 2.269 10 0 BEAEMO COc1ccccc1[C@H]([C@@H](C)N)[NH+]1CCCC1 ZINC000043096598 175354380 /nfs/dbraw/zinc/35/43/80/175354380.db2.gz NDMSVXBADPAGEN-RISCZKNCSA-N 1 1 234.343 2.179 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711455848 /nfs/dbraw/zinc/45/58/48/711455848.db2.gz WWQRALCIKUAKAX-ZJUUUORDSA-N 1 1 233.302 2.125 10 0 BEAEMO CN1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000044535229 640400826 /nfs/dbraw/zinc/40/08/26/640400826.db2.gz BVIBDNVSZMCKPK-HNNXBMFYSA-N 1 1 232.371 2.161 10 0 BEAEMO Cc1ccc([C@H](C)[NH2+]Cc2cncnc2)o1 ZINC000054767410 640409214 /nfs/dbraw/zinc/40/92/14/640409214.db2.gz XFULIZDILVSORG-JTQLQIEISA-N 1 1 217.272 2.229 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCC1CC1 ZINC000157117968 640572595 /nfs/dbraw/zinc/57/25/95/640572595.db2.gz WFXQHBJPFIBXPL-GXTWGEPZSA-N 1 1 222.376 2.345 10 0 BEAEMO c1ccc(C[NH2+][C@H]2CCc3cccnc32)nc1 ZINC000226799798 640796801 /nfs/dbraw/zinc/79/68/01/640796801.db2.gz USGMZLIXKZBZEP-ZDUSSCGKSA-N 1 1 225.295 2.254 10 0 BEAEMO C[N@@H+]1CCC[C@H]1C(=O)c1c[nH]c2ccccc12 ZINC000199620619 640867611 /nfs/dbraw/zinc/86/76/11/640867611.db2.gz UVIBGQDCRGRJQC-ZDUSSCGKSA-N 1 1 228.295 2.445 10 0 BEAEMO C[N@H+]1CCC[C@H]1C(=O)c1c[nH]c2ccccc12 ZINC000199620619 640867614 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COC1(OC)CC[C@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000711042470 712276175 /nfs/dbraw/zinc/27/61/75/712276175.db2.gz QSZKMUUYWAKUCO-ZYHUDNBSSA-N 1 1 239.315 2.390 10 0 BEAEMO C[C@@H](C[N@@H+]1CC2CC1(CN)C2)C(C)(C)C ZINC000711184780 712288299 /nfs/dbraw/zinc/28/82/99/712288299.db2.gz RDTGCTZAKNKXCZ-ZBOXLXRLSA-N 1 1 210.365 2.092 10 0 BEAEMO C[C@@H](C[N@H+]1CC2CC1(CN)C2)C(C)(C)C ZINC000711184780 712288300 /nfs/dbraw/zinc/28/83/00/712288300.db2.gz RDTGCTZAKNKXCZ-ZBOXLXRLSA-N 1 1 210.365 2.092 10 0 BEAEMO C[C@@](O)(C[N@H+]1CC[C@@H](CF)C1)c1ccccc1 ZINC000711466152 712302399 /nfs/dbraw/zinc/30/23/99/712302399.db2.gz DYSBBPQKKXPZSO-GXTWGEPZSA-N 1 1 237.318 2.186 10 0 BEAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CF)C2)C1 ZINC000711450924 712302404 /nfs/dbraw/zinc/30/24/04/712302404.db2.gz MHDXIFDTHIZCBE-YNEHKIRRSA-N 1 1 229.339 2.219 10 0 BEAEMO C=C/C=C/CC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000713646090 712468600 /nfs/dbraw/zinc/46/86/00/712468600.db2.gz PKOQNRGYTSDYKS-MUBLQREKSA-N 1 1 207.317 2.420 10 0 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CC[N@@H+](C)CCNC/C=C\c1ccccc1 ZINC000211519935 1165824066 /nfs/dbraw/zinc/82/40/66/1165824066.db2.gz RCHWWDWYXNFERE-YFHOEESVSA-N 1 1 218.344 2.241 10 0 BEAEMO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)C1(C)CC1 ZINC000037508292 1170953312 /nfs/dbraw/zinc/95/33/12/1170953312.db2.gz ITYXJLXUWUHNOM-MNOVXSKESA-N 1 1 227.348 2.352 10 0 BEAEMO CCc1ccc(CNC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000051724959 1171913896 /nfs/dbraw/zinc/91/38/96/1171913896.db2.gz TZYRYCNENYHRMS-LBPRGKRZSA-N 1 1 236.359 2.416 10 0 BEAEMO CCc1ccc(CNC[C@@H]2CCCC[N@H+]2C)o1 ZINC000051724959 1171913903 /nfs/dbraw/zinc/91/39/03/1171913903.db2.gz TZYRYCNENYHRMS-LBPRGKRZSA-N 1 1 236.359 2.416 10 0 BEAEMO CC[C@@H]1CCCC[N@H+]1Cc1cccnc1N ZINC000052719327 1171984371 /nfs/dbraw/zinc/98/43/71/1171984371.db2.gz JJJYRXWRNMNCDU-GFCCVEGCSA-N 1 1 219.332 2.428 10 0 BEAEMO C[C@H]1C[C@@]2(CC(C)(C)C1)C(=O)CC[N@@H+]2C ZINC000685954578 538899170 /nfs/dbraw/zinc/89/91/70/538899170.db2.gz OHOAXCVQODNSEP-ZWNOBZJWSA-N 1 1 209.333 2.476 10 0 BEAEMO CC[C@@H](C)OCC(F)(F)C[NH2+]C1CC1 ZINC000685956069 538902157 /nfs/dbraw/zinc/90/21/57/538902157.db2.gz WKJQFNAISYMFIH-MRVPVSSYSA-N 1 1 207.264 2.189 10 0 BEAEMO CC[C@@H](C)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961404 538908474 /nfs/dbraw/zinc/90/84/74/538908474.db2.gz HPZTZJKEQFPDGX-OCCSQVGLSA-N 1 1 248.370 2.061 10 0 BEAEMO CC[C@@H](C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961404 538908477 /nfs/dbraw/zinc/90/84/77/538908477.db2.gz HPZTZJKEQFPDGX-OCCSQVGLSA-N 1 1 248.370 2.061 10 0 BEAEMO CC[N@H+]1CCC(=O)[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952636 538896631 /nfs/dbraw/zinc/89/66/31/538896631.db2.gz BHLANSZPUVNLQN-PJXYFTJBSA-N 1 1 209.333 2.476 10 0 BEAEMO CC[N@@H+]1CC[C@@H](N)[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953108 538897364 /nfs/dbraw/zinc/89/73/64/538897364.db2.gz GBUWERBLNYSNPA-XQHKEYJVSA-N 1 1 210.365 2.234 10 0 BEAEMO CC[N@H+]1CC[C@@H](N)[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685953108 538897365 /nfs/dbraw/zinc/89/73/65/538897365.db2.gz GBUWERBLNYSNPA-XQHKEYJVSA-N 1 1 210.365 2.234 10 0 BEAEMO Nc1cn(C[C@H]2CCCC(F)(F)C2)c[nH+]1 ZINC000685964239 538911241 /nfs/dbraw/zinc/91/12/41/538911241.db2.gz UIQDEQZNJIIHSH-QMMMGPOBSA-N 1 1 215.247 2.291 10 0 BEAEMO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000378712575 346812675 /nfs/dbraw/zinc/81/26/75/346812675.db2.gz VDUPWUSEVQNAQH-RFQIPJPRSA-N 1 1 224.392 2.495 10 0 BEAEMO COc1ccc([C@@H]([NH3+])c2nccs2)cc1 ZINC000058432135 187322505 /nfs/dbraw/zinc/32/25/05/187322505.db2.gz APOVPGRHZRJOOD-SNVBAGLBSA-N 1 1 220.297 2.200 10 0 BEAEMO Cc1cc(C[N@H+]2CC[C@@H](CCO)C2)cs1 ZINC000336663629 178000040 /nfs/dbraw/zinc/00/00/40/178000040.db2.gz CQFCJMHPUJYBEK-NSHDSACASA-N 1 1 225.357 2.261 10 0 BEAEMO Cc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1N ZINC000040725290 178001910 /nfs/dbraw/zinc/00/19/10/178001910.db2.gz QVFQWBWOCNOITI-JTQLQIEISA-N 1 1 204.317 2.419 10 0 BEAEMO Cc1nccc(N[C@@H](C)C[C@H](C)[NH3+])c1Cl ZINC000379810879 398169722 /nfs/dbraw/zinc/16/97/22/398169722.db2.gz AEPHLPSTBXDPLD-YUMQZZPRSA-N 1 1 227.739 2.003 10 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[NH2+]=C(NO)[C@@H](c1ccc(F)cc1)n1cccc1 ZINC000409441566 343859693 /nfs/dbraw/zinc/85/96/93/343859693.db2.gz PTWQQLMNROSBIK-LLVKDONJSA-N 1 1 233.246 2.173 10 0 BEAEMO C[NH2+]Cc1c(C2CC2)n[nH]c1C1CCC1 ZINC000409441763 343861082 /nfs/dbraw/zinc/86/10/82/343861082.db2.gz TYHJFEXTGOYAEQ-UHFFFAOYSA-N 1 1 205.305 2.274 10 0 BEAEMO [NH2+]=C(NO)[C@@H](c1cccs1)n1cccc1 ZINC000409442690 343864048 /nfs/dbraw/zinc/86/40/48/343864048.db2.gz ZGZMCAYZWHBGEN-SECBINFHSA-N 1 1 221.285 2.095 10 0 BEAEMO CC(C)(C)OC(=O)CC[N@H+]1CCCSCC1 ZINC000128876819 187285947 /nfs/dbraw/zinc/28/59/47/187285947.db2.gz JAUFEEDEBWXRJI-UHFFFAOYSA-N 1 1 245.388 2.157 10 0 BEAEMO CCC1(C[N@H+]2CCOC[C@@H](C)C2)CCOCC1 ZINC000336443569 168467902 /nfs/dbraw/zinc/46/79/02/168467902.db2.gz IQPVAZZDPCOAAW-ZDUSSCGKSA-N 1 1 241.375 2.162 10 0 BEAEMO CCC[C@@H](C)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000131092909 344229462 /nfs/dbraw/zinc/22/94/62/344229462.db2.gz FRMHTFATAARHDN-VXGBXAGGSA-N 1 1 227.348 2.450 10 0 BEAEMO [NH3+][C@H](c1ccoc1)c1ncccc1Cl ZINC000236331587 344355912 /nfs/dbraw/zinc/35/59/12/344355912.db2.gz FKZKYNXTKIHIFE-SECBINFHSA-N 1 1 208.648 2.376 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C=O)o1 ZINC000158062664 344355969 /nfs/dbraw/zinc/35/59/69/344355969.db2.gz RTNCXOAHXBJOAF-VHSXEESVSA-N 1 1 207.273 2.322 10 0 BEAEMO Cc1[nH+]ccn1-c1cccc(Br)n1 ZINC000044116900 344394155 /nfs/dbraw/zinc/39/41/55/344394155.db2.gz MZRRMVGNEHRLLV-UHFFFAOYSA-N 1 1 238.088 2.338 10 0 BEAEMO Cc1cc[nH+]c(NC2CCC(O)CC2)c1 ZINC000043561393 344528189 /nfs/dbraw/zinc/52/81/89/344528189.db2.gz UNBLMDBHIQJQDJ-UHFFFAOYSA-N 1 1 206.289 2.105 10 0 BEAEMO CSC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000381653280 344530828 /nfs/dbraw/zinc/53/08/28/344530828.db2.gz SFVGMBWCUWBDBQ-FRRDWIJNSA-N 1 1 243.416 2.365 10 0 BEAEMO CC(C)c1[nH+]ccn1C[C@@H](O)C(C)(C)C ZINC000044185248 344538028 /nfs/dbraw/zinc/53/80/28/344538028.db2.gz SMCNWUBFROXVOV-SNVBAGLBSA-N 1 1 210.321 2.414 10 0 BEAEMO CCC1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000127456933 344541831 /nfs/dbraw/zinc/54/18/31/344541831.db2.gz DZLPGZLWZVDHQB-UHFFFAOYSA-N 1 1 240.391 2.412 10 0 BEAEMO C[C@@H]1C[C@@](O)(c2ccc(Cl)s2)C[N@H+]1C ZINC000127474308 344545668 /nfs/dbraw/zinc/54/56/68/344545668.db2.gz DBCWRBNEPSGTCV-XCBNKYQSSA-N 1 1 231.748 2.313 10 0 BEAEMO Cc1nc(C)c([C@@H](C)NCC[C@@H](C)[NH3+])s1 ZINC000049538813 344651754 /nfs/dbraw/zinc/65/17/54/344651754.db2.gz YOPKNSGAUWFPDR-HTQZYQBOSA-N 1 1 227.377 2.148 10 0 BEAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCC1=O ZINC000050132535 344646793 /nfs/dbraw/zinc/64/67/93/344646793.db2.gz CQNKOMMUDNHTQG-LBPRGKRZSA-N 1 1 203.285 2.240 10 0 BEAEMO C[N@H+](Cc1ccsc1)[C@@H]1CCCC1=O ZINC000050134094 344647241 /nfs/dbraw/zinc/64/72/41/344647241.db2.gz FWTPJIBMUKDGDS-SNVBAGLBSA-N 1 1 209.314 2.302 10 0 BEAEMO C[N@@H+](Cc1ccsc1)[C@@H]1CCCC1=O ZINC000050134094 344647242 /nfs/dbraw/zinc/64/72/42/344647242.db2.gz FWTPJIBMUKDGDS-SNVBAGLBSA-N 1 1 209.314 2.302 10 0 BEAEMO Fc1ccc([C@H]2[NH2+]CCS2)cc1F ZINC000050522679 344706063 /nfs/dbraw/zinc/70/60/63/344706063.db2.gz HDGYWGXLFFRQBN-VIFPVBQESA-N 1 1 201.241 2.300 10 0 BEAEMO [NH3+][C@@H](CF)c1c(F)c(F)cc(F)c1F ZINC000238571718 345080528 /nfs/dbraw/zinc/08/05/28/345080528.db2.gz FSQPCCUHEFXHTA-YFKPBYRVSA-N 1 1 211.133 2.212 10 0 BEAEMO CCCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155659627 345095302 /nfs/dbraw/zinc/09/53/02/345095302.db2.gz SGIDSTHMMUDVOD-STQMWFEESA-N 1 1 240.391 2.412 10 0 BEAEMO Cc1ccc(F)c(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634998069 345197038 /nfs/dbraw/zinc/19/70/38/345197038.db2.gz AHFLQVFFPQKLAF-AAEUAGOBSA-N 1 1 236.334 2.161 10 0 BEAEMO CCC(O)(CC)C[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000626112038 345277452 /nfs/dbraw/zinc/27/74/52/345277452.db2.gz LKWHJVILAXWIFY-OLZOCXBDSA-N 1 1 243.391 2.020 10 0 BEAEMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CCO)C1 ZINC000300830817 187302237 /nfs/dbraw/zinc/30/22/37/187302237.db2.gz BZXWEFYOUCOIFX-QWHCGFSZSA-N 1 1 213.365 2.373 10 0 BEAEMO CCC[C@@H](C)C[N@@H+](CCC)CC(=O)OC ZINC000051323756 345401376 /nfs/dbraw/zinc/40/13/76/345401376.db2.gz JJBSQYOZMAGSMW-LLVKDONJSA-N 1 1 215.337 2.308 10 0 BEAEMO CC(C)C(=O)O[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000031560039 345577474 /nfs/dbraw/zinc/57/74/74/345577474.db2.gz AKINKDOLVIOTCB-NWDGAFQWSA-N 1 1 225.332 2.203 10 0 BEAEMO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(C)(F)F)C1(C)C ZINC000378769943 345560864 /nfs/dbraw/zinc/56/08/64/345560864.db2.gz FIMDVCSJOKWBAY-XHNCKOQMSA-N 1 1 221.291 2.291 10 0 BEAEMO COC(=O)[C@@](C)([NH3+])Cc1ccc2ccccc2c1 ZINC000034147244 345818276 /nfs/dbraw/zinc/81/82/76/345818276.db2.gz VQRFJJGBBKYJKC-HNNXBMFYSA-N 1 1 243.306 2.273 10 0 BEAEMO CCCCOC[C@H](O)C[N@H+]1[C@H](C)CC[C@H]1CC ZINC000300296074 345777791 /nfs/dbraw/zinc/77/77/91/345777791.db2.gz VKZSIMGZJSATSN-MGPQQGTHSA-N 1 1 243.391 2.427 10 0 BEAEMO C[C@@H]1C[C@H](C)[C@H](C)[N@H+]([C@@H]2CCCC2=O)C1 ZINC000166774782 345786713 /nfs/dbraw/zinc/78/67/13/345786713.db2.gz SELCBMTWZPYEHH-NOOOWODRSA-N 1 1 209.333 2.474 10 0 BEAEMO OCCC1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000034557983 345831342 /nfs/dbraw/zinc/83/13/42/345831342.db2.gz QRLIBFSEEWFEIN-UHFFFAOYSA-N 1 1 235.302 2.340 10 0 BEAEMO C[NH+](C)Cc1cc(N)ccc1Br ZINC000143686778 345911069 /nfs/dbraw/zinc/91/10/69/345911069.db2.gz FDEBPOHTKNQOPC-UHFFFAOYSA-N 1 1 229.121 2.093 10 0 BEAEMO Nc1ccc[nH+]c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000088417560 345944404 /nfs/dbraw/zinc/94/44/04/345944404.db2.gz ATKGDSZMGXQFBK-MRVPVSSYSA-N 1 1 245.248 2.443 10 0 BEAEMO CC[NH2+]CC(F)(F)COCCCSC ZINC000685957024 537943703 /nfs/dbraw/zinc/94/37/03/537943703.db2.gz KJBDFHZIJHJULR-UHFFFAOYSA-N 1 1 227.320 2.001 10 0 BEAEMO C[NH2+]CC(F)(F)CO[C@H](C)CC(C)C ZINC000685957406 537944146 /nfs/dbraw/zinc/94/41/46/537944146.db2.gz XTZZRDNLPGFEIS-SECBINFHSA-N 1 1 209.280 2.292 10 0 BEAEMO Fc1cc(F)cc([C@@H]2[NH2+]CCS2)c1 ZINC000236154557 346200592 /nfs/dbraw/zinc/20/05/92/346200592.db2.gz BZJPTDFQUDYWHR-SECBINFHSA-N 1 1 201.241 2.300 10 0 BEAEMO C[N@H+]1CCC[C@@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243539 187317731 /nfs/dbraw/zinc/31/77/31/187317731.db2.gz MZUKKEXMKBFVCU-LBPRGKRZSA-N 1 1 210.365 2.251 10 0 BEAEMO CN1CCC[C@@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243539 187317733 /nfs/dbraw/zinc/31/77/33/187317733.db2.gz MZUKKEXMKBFVCU-LBPRGKRZSA-N 1 1 210.365 2.251 10 0 BEAEMO CC(C)[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C ZINC000023068115 187319898 /nfs/dbraw/zinc/31/98/98/187319898.db2.gz WYKGULWZGZPEQZ-QWHCGFSZSA-N 1 1 206.333 2.273 10 0 BEAEMO CCC[C@H](C)C[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000245845485 323124091 /nfs/dbraw/zinc/12/40/91/323124091.db2.gz LANBPBHNSJPDPC-KBPBESRZSA-N 1 1 242.407 2.075 10 0 BEAEMO Cc1ncc(C[NH2+]Cc2cccc(C)n2)s1 ZINC000048329880 179095183 /nfs/dbraw/zinc/09/51/83/179095183.db2.gz IEVSJMAJEZQCOV-UHFFFAOYSA-N 1 1 233.340 2.445 10 0 BEAEMO CSC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000381653262 346567184 /nfs/dbraw/zinc/56/71/84/346567184.db2.gz SFVGMBWCUWBDBQ-AGIUHOORSA-N 1 1 243.416 2.365 10 0 BEAEMO Cc1cccc(N[C@@H](C)[C@@H]2CCCO2)[nH+]1 ZINC000037670698 179152978 /nfs/dbraw/zinc/15/29/78/179152978.db2.gz IFYNYQYEFNNXAS-QWRGUYRKSA-N 1 1 206.289 2.369 10 0 BEAEMO CC1(C)CC[NH+](Cc2nc(CO)cs2)CC1 ZINC000669380223 537986657 /nfs/dbraw/zinc/98/66/57/537986657.db2.gz VTUSXKZMOWJSMI-UHFFFAOYSA-N 1 1 240.372 2.257 10 0 BEAEMO COC[C@H](C)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000187304096 347253256 /nfs/dbraw/zinc/25/32/56/347253256.db2.gz FZPSPAMIGXUFPH-DGCLKSJQSA-N 1 1 237.347 2.219 10 0 BEAEMO CC[N@@H+]1CC[C@H](N)[C@H]1c1ccc(C)s1 ZINC000250266260 362798401 /nfs/dbraw/zinc/79/84/01/362798401.db2.gz KMRQUXJYTMNNNO-ONGXEEELSA-N 1 1 210.346 2.151 10 0 BEAEMO CC[N@H+]1CC[C@H](N)[C@H]1c1ccc(C)s1 ZINC000250266260 362798406 /nfs/dbraw/zinc/79/84/06/362798406.db2.gz KMRQUXJYTMNNNO-ONGXEEELSA-N 1 1 210.346 2.151 10 0 BEAEMO CC(C)N(C)Cc1cc(C[NH3+])c(F)cc1F ZINC000669380449 537989363 /nfs/dbraw/zinc/98/93/63/537989363.db2.gz ZPNWJHYBSWKECD-UHFFFAOYSA-N 1 1 228.286 2.264 10 0 BEAEMO CCCCOC[C@@H](O)C[N@@H+](CC)C1CCCC1 ZINC000193247169 347393026 /nfs/dbraw/zinc/39/30/26/347393026.db2.gz IPYTWRJNCBTDLB-AWEZNQCLSA-N 1 1 243.391 2.429 10 0 BEAEMO Cc1cccc2[nH+]c3c(c(N)c12)CCCO3 ZINC000027405641 179231620 /nfs/dbraw/zinc/23/16/20/179231620.db2.gz BDRIZQJMKALXBR-UHFFFAOYSA-N 1 1 214.268 2.450 10 0 BEAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@H](C)CC1 ZINC000195116994 347442456 /nfs/dbraw/zinc/44/24/56/347442456.db2.gz YKGHXTDLALTKGJ-NSHDSACASA-N 1 1 236.363 2.228 10 0 BEAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000364834462 347557096 /nfs/dbraw/zinc/55/70/96/347557096.db2.gz PZRABDWVUNLXSH-ZIAGYGMSSA-N 1 1 241.375 2.038 10 0 BEAEMO Cc1ccccc1CN(C)C[C@H]1C[NH2+]C[C@@H]1C ZINC000104213308 179270748 /nfs/dbraw/zinc/27/07/48/179270748.db2.gz SSVDUVPVOMMYDF-DZGCQCFKSA-N 1 1 232.371 2.282 10 0 BEAEMO Cc1ccccc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000295109873 179273778 /nfs/dbraw/zinc/27/37/78/179273778.db2.gz VZFMXYCIMMYVEK-GXTWGEPZSA-N 1 1 219.328 2.340 10 0 BEAEMO Cc1ccccc1CN1CC[NH2+]CC[C@@H]1C ZINC000062609129 179274028 /nfs/dbraw/zinc/27/40/28/179274028.db2.gz VTYJGUZRDCWZLM-ZDUSSCGKSA-N 1 1 218.344 2.179 10 0 BEAEMO C[C@@H]1CCC[N@@H+](CC[C@H]2CCC2=O)[C@H]1C ZINC000669381549 537995985 /nfs/dbraw/zinc/99/59/85/537995985.db2.gz NYFNRVZHCZJONM-GRYCIOLGSA-N 1 1 209.333 2.476 10 0 BEAEMO c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168597 348024872 /nfs/dbraw/zinc/02/48/72/348024872.db2.gz SCTRVPQBVADAOD-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168597 348024874 /nfs/dbraw/zinc/02/48/74/348024874.db2.gz SCTRVPQBVADAOD-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO Cc1ccccc1[C@H](N)C[N@@H+]1CC[C@H](C)C1 ZINC000040718014 179343400 /nfs/dbraw/zinc/34/34/00/179343400.db2.gz FIZAPPKMVZSDGS-SMDDNHRTSA-N 1 1 218.344 2.337 10 0 BEAEMO Cc1ccccc1[C@H]([NH3+])CN1CC[C@H](C)C1 ZINC000040718014 179343402 /nfs/dbraw/zinc/34/34/02/179343402.db2.gz FIZAPPKMVZSDGS-SMDDNHRTSA-N 1 1 218.344 2.337 10 0 BEAEMO CS[C@H]1CCCC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000595388024 348242830 /nfs/dbraw/zinc/24/28/30/348242830.db2.gz SHGMIANGIUXSAV-QJPTWQEYSA-N 1 1 229.389 2.117 10 0 BEAEMO Cc1cccnc1CN1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000071345083 179376932 /nfs/dbraw/zinc/37/69/32/179376932.db2.gz KSHXTMXWOINATJ-GXTWGEPZSA-N 1 1 247.386 2.210 10 0 BEAEMO CCOC(=O)[C@@H](C)[N@@H+](C)CCCC1CCC1 ZINC000595374675 348232961 /nfs/dbraw/zinc/23/29/61/348232961.db2.gz AZEGYZPLWDQQGJ-LLVKDONJSA-N 1 1 227.348 2.450 10 0 BEAEMO Cc1ccc[nH+]c1N1Cc2ccc(N)cc2C1 ZINC000036683427 179389490 /nfs/dbraw/zinc/38/94/90/179389490.db2.gz CGICPLHMVZICMS-UHFFFAOYSA-N 1 1 225.295 2.492 10 0 BEAEMO C[NH+](C)Cc1c(N)cccc1Br ZINC000037401838 348421375 /nfs/dbraw/zinc/42/13/75/348421375.db2.gz RVKPYBUBAMQVFV-UHFFFAOYSA-N 1 1 229.121 2.093 10 0 BEAEMO C[N@@H+](Cc1ccsc1)[C@H]1CCC[C@@H]1O ZINC000037489698 348622535 /nfs/dbraw/zinc/62/25/35/348622535.db2.gz GGNODZFCBYZGDB-QWRGUYRKSA-N 1 1 211.330 2.093 10 0 BEAEMO Cc1[nH+]cc(-c2c(C)cncc2C)n1C ZINC000039105046 179663376 /nfs/dbraw/zinc/66/33/76/179663376.db2.gz 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CC[N@H+]1C[C@@H](C)[C@H](Nc2ncccc2Cl)C1 ZINC000309483174 491149574 /nfs/dbraw/zinc/14/95/74/491149574.db2.gz UITQATLUZDSSCK-MWLCHTKSSA-N 1 1 239.750 2.487 10 0 BEAEMO CCc1csc(N[C@H]2C[N@@H+](CC)C[C@@H]2C)n1 ZINC000309463591 491149700 /nfs/dbraw/zinc/14/97/00/491149700.db2.gz OQEOTKCTUINMJL-ONGXEEELSA-N 1 1 239.388 2.458 10 0 BEAEMO CC[N@@H+]1C[C@H](Nc2cc(C)ccn2)[C@@H](C)C1 ZINC000309668620 491154251 /nfs/dbraw/zinc/15/42/51/491154251.db2.gz VEPFCSGTWUEDRY-RYUDHWBXSA-N 1 1 219.332 2.142 10 0 BEAEMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1csc(Cl)c1 ZINC000306628142 361298370 /nfs/dbraw/zinc/29/83/70/361298370.db2.gz JJADSGHYFRLAPI-CBAPKCEASA-N 1 1 231.748 2.357 10 0 BEAEMO C[C@H]1C[C@H](O)C[N@H+]1Cc1csc(Cl)c1 ZINC000306628142 361298373 /nfs/dbraw/zinc/29/83/73/361298373.db2.gz JJADSGHYFRLAPI-CBAPKCEASA-N 1 1 231.748 2.357 10 0 BEAEMO [NH3+]C1(CN2CCCSCC2)CCCCC1 ZINC000042444938 181330776 /nfs/dbraw/zinc/33/07/76/181330776.db2.gz SWUXHTPTXHCVHL-UHFFFAOYSA-N 1 1 228.405 2.087 10 0 BEAEMO CC[N@@H+]1C[C@H](N[C@@H](C)c2cscn2)[C@@H](C)C1 ZINC000309894956 491157958 /nfs/dbraw/zinc/15/79/58/491157958.db2.gz FMUYRRQMOFLWDQ-DCAQKATOSA-N 1 1 239.388 2.134 10 0 BEAEMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cn[nH]c2)o1 ZINC000038005674 361634211 /nfs/dbraw/zinc/63/42/11/361634211.db2.gz AKZAVPUAOWRSOF-BXKDBHETSA-N 1 1 231.299 2.416 10 0 BEAEMO [NH3+]C1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000037482518 181342281 /nfs/dbraw/zinc/34/22/81/181342281.db2.gz IJFYAKTXJFRJGN-UHFFFAOYSA-N 1 1 233.237 2.413 10 0 BEAEMO [NH3+]C1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000011729476 181343900 /nfs/dbraw/zinc/34/39/00/181343900.db2.gz YAXXRTUKMXWTFK-UHFFFAOYSA-N 1 1 238.762 2.306 10 0 BEAEMO Cc1cc(C)cc([C@H]2C[C@H]([NH3+])CCN2C)c1 ZINC000074081415 541313016 /nfs/dbraw/zinc/31/30/16/541313016.db2.gz IOSQOEUPJUENIE-ZIAGYGMSSA-N 1 1 218.344 2.397 10 0 BEAEMO CC(C)CCN[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725272957 541340493 /nfs/dbraw/zinc/34/04/93/541340493.db2.gz WDTFMLGJSGKQSU-QWHCGFSZSA-N 1 1 210.365 2.297 10 0 BEAEMO Cc1nccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1Cl ZINC000630533138 364224260 /nfs/dbraw/zinc/22/42/60/364224260.db2.gz NMHXUVXKQFIGKF-PSASIEDQSA-N 1 1 239.750 2.018 10 0 BEAEMO CC[C@H](C)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246447777 364595126 /nfs/dbraw/zinc/59/51/26/364595126.db2.gz IJUIYGPNACQYFV-XQQFMLRXSA-N 1 1 210.365 2.201 10 0 BEAEMO NCC[N@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000076622618 181390818 /nfs/dbraw/zinc/39/08/18/181390818.db2.gz STNCYDWNJZFAAM-AWEZNQCLSA-N 1 1 240.391 2.006 10 0 BEAEMO NCC[N@@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000076622618 181390819 /nfs/dbraw/zinc/39/08/19/181390819.db2.gz STNCYDWNJZFAAM-AWEZNQCLSA-N 1 1 240.391 2.006 10 0 BEAEMO CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000379797517 365273584 /nfs/dbraw/zinc/27/35/84/365273584.db2.gz KVWGEBMBFWNVRB-QNWHQSFQSA-N 1 1 212.381 2.338 10 0 BEAEMO CC[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000379797517 365273587 /nfs/dbraw/zinc/27/35/87/365273587.db2.gz KVWGEBMBFWNVRB-QNWHQSFQSA-N 1 1 212.381 2.338 10 0 BEAEMO COC(=O)c1cccnc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000380589989 367247864 /nfs/dbraw/zinc/24/78/64/367247864.db2.gz TWYRQCVSXRFTSK-MNOVXSKESA-N 1 1 248.326 2.099 10 0 BEAEMO CC(C)[C@H]1CC[N@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252728014 367900710 /nfs/dbraw/zinc/90/07/10/367900710.db2.gz WDAIUTDFZLACOE-RYUDHWBXSA-N 1 1 209.333 2.476 10 0 BEAEMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(N)cc12 ZINC000038674502 368327182 /nfs/dbraw/zinc/32/71/82/368327182.db2.gz BBSNAHSUZJDFLE-GFCCVEGCSA-N 1 1 229.327 2.387 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000253067883 368444650 /nfs/dbraw/zinc/44/46/50/368444650.db2.gz KIMYANVRAWRQBF-LPEHRKFASA-N 1 1 214.378 2.029 10 0 BEAEMO Cc1ccc(F)cc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837389 369093845 /nfs/dbraw/zinc/09/38/45/369093845.db2.gz BADIHTYRQLVLSP-YPMHNXCESA-N 1 1 236.334 2.161 10 0 BEAEMO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843097 369373199 /nfs/dbraw/zinc/37/31/99/369373199.db2.gz JGCWODWIDVAGJA-HIFRSBDPSA-N 1 1 232.371 2.146 10 0 BEAEMO C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1CO ZINC000621374289 370316531 /nfs/dbraw/zinc/31/65/31/370316531.db2.gz YBRQDAYFFTZGBH-VHDGCEQUSA-N 1 1 245.366 2.277 10 0 BEAEMO C[N@H+]1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000216070233 370592189 /nfs/dbraw/zinc/59/21/89/370592189.db2.gz ZXYKCCIKQBXWFN-AWEZNQCLSA-N 1 1 219.328 2.031 10 0 BEAEMO CC1(C)CS[C@@H](c2cncs2)[NH2+]1 ZINC000161615328 370607119 /nfs/dbraw/zinc/60/71/19/370607119.db2.gz FUAVMSSTTHEGML-ZETCQYMHSA-N 1 1 200.332 2.257 10 0 BEAEMO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000389961603 371183449 /nfs/dbraw/zinc/18/34/49/371183449.db2.gz WAZLYDKAASZLKO-PWSUYJOCSA-N 1 1 207.321 2.468 10 0 BEAEMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](O)C1 ZINC000225739570 371573276 /nfs/dbraw/zinc/57/32/76/371573276.db2.gz JNENMJLNQRZDKG-QWHCGFSZSA-N 1 1 205.301 2.032 10 0 BEAEMO C/C=C/CN(CCC[NH3+])Cc1ccccc1 ZINC000230027873 371637342 /nfs/dbraw/zinc/63/73/42/371637342.db2.gz IMOHZXLWSBQEII-NSCUHMNNSA-N 1 1 218.344 2.414 10 0 BEAEMO Cc1cc(C(F)(F)F)ccc1C(=O)C[NH3+] ZINC000226572560 371699925 /nfs/dbraw/zinc/69/99/25/371699925.db2.gz MNERKXCBWPVEPV-UHFFFAOYSA-N 1 1 217.190 2.155 10 0 BEAEMO CC(=O)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000216128956 371702112 /nfs/dbraw/zinc/70/21/12/371702112.db2.gz AFHZOGSYMSTZRH-TZGMSPROSA-N 1 1 201.697 2.040 10 0 BEAEMO O=C1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCF ZINC000227321526 371832923 /nfs/dbraw/zinc/83/29/23/371832923.db2.gz KFPPBSBDMVQADF-MNOVXSKESA-N 1 1 213.296 2.180 10 0 BEAEMO c1cc(N2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000227425967 371863090 /nfs/dbraw/zinc/86/30/90/371863090.db2.gz NAZKDHOHYOKXFL-JTQLQIEISA-N 1 1 208.330 2.033 10 0 BEAEMO C[C@@H]1SCC[N@@H+](CC(=O)C(C)(C)C)[C@H]1C ZINC000132579544 371864519 /nfs/dbraw/zinc/86/45/19/371864519.db2.gz LFIWGJYQUSBQSK-UWVGGRQHSA-N 1 1 229.389 2.427 10 0 BEAEMO C[C@@H]1SCC[N@H+]([C@@H]2CCCCC2=O)[C@H]1C ZINC000132576230 371864808 /nfs/dbraw/zinc/86/48/08/371864808.db2.gz LLLIYYDNPXRMSY-GARJFASQSA-N 1 1 227.373 2.324 10 0 BEAEMO CC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227821983 371943707 /nfs/dbraw/zinc/94/37/07/371943707.db2.gz SASNTPKUGNGKSX-VXNVDRBHSA-N 1 1 223.238 2.238 10 0 BEAEMO CC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000227821983 371943716 /nfs/dbraw/zinc/94/37/16/371943716.db2.gz SASNTPKUGNGKSX-VXNVDRBHSA-N 1 1 223.238 2.238 10 0 BEAEMO O=C1CCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000228043427 371980987 /nfs/dbraw/zinc/98/09/87/371980987.db2.gz MICSIFOWSHRJRA-GRYCIOLGSA-N 1 1 207.317 2.088 10 0 BEAEMO C[C@@H](NC1=[NH+]C[C@H](C)S1)C(C)(F)F ZINC000306836997 372071924 /nfs/dbraw/zinc/07/19/24/372071924.db2.gz VGGVZYDIRLEGIF-NTSWFWBYSA-N 1 1 208.277 2.111 10 0 BEAEMO Nc1ccc2c(N)nc(-c3ccccc3)[nH+]c2c1 ZINC000606301837 372090981 /nfs/dbraw/zinc/09/09/81/372090981.db2.gz GWFAWMXKXJKSEO-UHFFFAOYSA-N 1 1 236.278 2.292 10 0 BEAEMO C[C@H](c1ccccc1F)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841635 372637886 /nfs/dbraw/zinc/63/78/86/372637886.db2.gz NKARUANFGWFBQI-UTUOFQBUSA-N 1 1 236.334 2.413 10 0 BEAEMO O=C(Cc1ccccc1F)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716424 182045283 /nfs/dbraw/zinc/04/52/83/182045283.db2.gz VPIKTLYSZADDQA-WCQYABFASA-N 1 1 247.313 2.422 10 0 BEAEMO O=C(Cc1ccccc1F)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716424 182045285 /nfs/dbraw/zinc/04/52/85/182045285.db2.gz VPIKTLYSZADDQA-WCQYABFASA-N 1 1 247.313 2.422 10 0 BEAEMO Cc1[nH+]cn(-c2cccc(C=O)c2)c1C ZINC000068983557 373101537 /nfs/dbraw/zinc/10/15/37/373101537.db2.gz XELKKRSUVNQMPF-UHFFFAOYSA-N 1 1 200.241 2.302 10 0 BEAEMO CC[N@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000040503248 373364598 /nfs/dbraw/zinc/36/45/98/373364598.db2.gz XHQFQXQOGQGGRK-SECBINFHSA-N 1 1 211.334 2.039 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1CCCCC[C@@H]1C ZINC000069944915 374090587 /nfs/dbraw/zinc/09/05/87/374090587.db2.gz SYKTTWHMVXGPFQ-VHSXEESVSA-N 1 1 214.378 2.316 10 0 BEAEMO C[C@H](NC1=[NH+][C@H](C)CS1)c1nccs1 ZINC000070734423 374182290 /nfs/dbraw/zinc/18/22/90/374182290.db2.gz QLKDZTVYOWHRIN-RQJHMYQMSA-N 1 1 227.358 2.285 10 0 BEAEMO c1cncc(O[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC000178999206 134313966 /nfs/dbraw/zinc/31/39/66/134313966.db2.gz TXAGYMDFWAWOHX-ZDUSSCGKSA-N 1 1 218.300 2.087 10 0 BEAEMO OCCC[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127606862 183054558 /nfs/dbraw/zinc/05/45/58/183054558.db2.gz XXUIHPLTDJHNPJ-UHFFFAOYSA-N 1 1 235.302 2.297 10 0 BEAEMO OCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000107980858 183095350 /nfs/dbraw/zinc/09/53/50/183095350.db2.gz YQUPUBCLSHWYSO-LBPRGKRZSA-N 1 1 223.291 2.030 10 0 BEAEMO OC[C@@H]1CCCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000367738740 183116006 /nfs/dbraw/zinc/11/60/06/183116006.db2.gz UPPHTDDIEGWAMM-HIFRSBDPSA-N 1 1 245.366 2.421 10 0 BEAEMO OC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000336144746 183116181 /nfs/dbraw/zinc/11/61/81/183116181.db2.gz RBULPSHFVIYHQQ-MNOVXSKESA-N 1 1 233.302 2.269 10 0 BEAEMO OC[C@@H]1CCCC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000367738741 183116649 /nfs/dbraw/zinc/11/66/49/183116649.db2.gz UPPHTDDIEGWAMM-UKRRQHHQSA-N 1 1 245.366 2.421 10 0 BEAEMO OCC[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000353702614 183099328 /nfs/dbraw/zinc/09/93/28/183099328.db2.gz JOSZEHOOJRIJEL-QWHCGFSZSA-N 1 1 209.333 2.047 10 0 BEAEMO OC[C@@H]([NH2+]C1CC1)c1c(F)cccc1Cl ZINC000038124301 183107515 /nfs/dbraw/zinc/10/75/15/183107515.db2.gz NDLWRGZJJTUERI-SNVBAGLBSA-N 1 1 229.682 2.265 10 0 BEAEMO OC[C@@H](Nc1cc[nH+]cc1Cl)c1ccco1 ZINC000301595379 183111305 /nfs/dbraw/zinc/11/13/05/183111305.db2.gz YWZJXKKNNYYBHA-SNVBAGLBSA-N 1 1 238.674 2.474 10 0 BEAEMO CCCC[C@]1(CC)COC(=O)[C@@H]1[NH+](C)C ZINC000039101660 169016575 /nfs/dbraw/zinc/01/65/75/169016575.db2.gz QSNAHENBSYMGGT-CMPLNLGQSA-N 1 1 213.321 2.060 10 0 BEAEMO OC[C@H]1CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000377244097 183146408 /nfs/dbraw/zinc/14/64/08/183146408.db2.gz WIRUSMLYEUAGDH-KBPBESRZSA-N 1 1 223.360 2.437 10 0 BEAEMO OC[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090981427 183148516 /nfs/dbraw/zinc/14/85/16/183148516.db2.gz LCDJWDVRMPBQOG-JSGCOSHPSA-N 1 1 231.339 2.031 10 0 BEAEMO OC[C@H]1CCCC[N@H+]1C[C@H]1CCCC1(F)F ZINC000336144745 183148638 /nfs/dbraw/zinc/14/86/38/183148638.db2.gz RBULPSHFVIYHQQ-GHMZBOCLSA-N 1 1 233.302 2.269 10 0 BEAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000270984955 183188793 /nfs/dbraw/zinc/18/87/93/183188793.db2.gz AJBLDZCLBXEJJM-LSDHHAIUSA-N 1 1 249.329 2.487 10 0 BEAEMO O[C@@]12CCCC[C@H]1C[N@@H+](CCCCF)CC2 ZINC000309352384 183217507 /nfs/dbraw/zinc/21/75/07/183217507.db2.gz XSPOFSYJWVZHKT-QWHCGFSZSA-N 1 1 229.339 2.363 10 0 BEAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccncc1)CC2 ZINC000019405215 183218035 /nfs/dbraw/zinc/21/80/35/183218035.db2.gz DFQPELNVIXKUCR-LSDHHAIUSA-N 1 1 246.354 2.209 10 0 BEAEMO CCC[N@@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761105 169085761 /nfs/dbraw/zinc/08/57/61/169085761.db2.gz WDVYYPRCIJIMPD-LBPRGKRZSA-N 1 1 204.317 2.365 10 0 BEAEMO O[C@H]1CCCC[C@@H]1[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893219 183231571 /nfs/dbraw/zinc/23/15/71/183231571.db2.gz JXISTLHYOWWFOK-GJZGRUSLSA-N 1 1 249.329 2.487 10 0 BEAEMO CCC[N@@H+]([C@@H](C)COC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000053199477 169091731 /nfs/dbraw/zinc/09/17/31/169091731.db2.gz ISAJNQVYKCGEMD-ICIURTGMSA-N 1 1 240.391 2.016 10 0 BEAEMO O[C@H]1CCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000086831353 183237992 /nfs/dbraw/zinc/23/79/92/183237992.db2.gz CBNIWJWTEPHWGK-KWQFWETISA-N 1 1 226.707 2.308 10 0 BEAEMO CCC[N@@H+](CC)C[C@@H](N)c1ccccc1OC ZINC000037094867 169126314 /nfs/dbraw/zinc/12/63/14/169126314.db2.gz NUFMPILKGZNZEC-CYBMUJFWSA-N 1 1 236.359 2.427 10 0 BEAEMO CCC[NH+](CCC)[C@@H](CN)c1ccncc1 ZINC000032021422 169150240 /nfs/dbraw/zinc/15/02/40/169150240.db2.gz NTDMTUMWNSQCFW-ZDUSSCGKSA-N 1 1 221.348 2.203 10 0 BEAEMO CCC[N@H+](CC)Cc1cc(CNC(C)C)no1 ZINC000052448328 169130220 /nfs/dbraw/zinc/13/02/20/169130220.db2.gz QEXNFFUXQGZYRC-UHFFFAOYSA-N 1 1 239.363 2.405 10 0 BEAEMO CCC[N@@H+](CC)Cc1cc(CNC(C)C)no1 ZINC000052448328 169130224 /nfs/dbraw/zinc/13/02/24/169130224.db2.gz QEXNFFUXQGZYRC-UHFFFAOYSA-N 1 1 239.363 2.405 10 0 BEAEMO CCC[N@H+](CCC(=O)C(C)(C)C)CCN(C)C ZINC000054026652 169138596 /nfs/dbraw/zinc/13/85/96/169138596.db2.gz VYCFVTRZZQFINE-UHFFFAOYSA-N 1 1 242.407 2.265 10 0 BEAEMO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1cccnc1 ZINC000020141124 183281120 /nfs/dbraw/zinc/28/11/20/183281120.db2.gz BTVYKEWAMOVDKN-CYBMUJFWSA-N 1 1 242.278 2.011 10 0 BEAEMO Oc1cccc([C@@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000126875666 183294292 /nfs/dbraw/zinc/29/42/92/183294292.db2.gz GBISKGHYNYULSJ-AWEZNQCLSA-N 1 1 233.311 2.176 10 0 BEAEMO Oc1cccc([C@@H]2C[N@@H+](CC3CC3)CCO2)c1 ZINC000126875666 183294294 /nfs/dbraw/zinc/29/42/94/183294294.db2.gz GBISKGHYNYULSJ-AWEZNQCLSA-N 1 1 233.311 2.176 10 0 BEAEMO Oc1cccc2c1CCC[C@@H]2[NH+]1CCOCC1 ZINC000082299790 183294801 /nfs/dbraw/zinc/29/48/01/183294801.db2.gz RMEKLEBQALGKBX-ZDUSSCGKSA-N 1 1 233.311 2.102 10 0 BEAEMO CCC[N@@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062615877 169194324 /nfs/dbraw/zinc/19/43/24/169194324.db2.gz AFNUPNDIYASCSJ-HNNXBMFYSA-N 1 1 232.371 2.303 10 0 BEAEMO CCC[N@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000062615877 169194325 /nfs/dbraw/zinc/19/43/25/169194325.db2.gz AFNUPNDIYASCSJ-HNNXBMFYSA-N 1 1 232.371 2.303 10 0 BEAEMO CCCN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062615877 169194326 /nfs/dbraw/zinc/19/43/26/169194326.db2.gz AFNUPNDIYASCSJ-HNNXBMFYSA-N 1 1 232.371 2.303 10 0 BEAEMO CCC[N@H+]1CCC[C@H](c2csc(N)n2)C1 ZINC000026937349 169198906 /nfs/dbraw/zinc/19/89/06/169198906.db2.gz GOVJAWLZFVFXRD-VIFPVBQESA-N 1 1 225.361 2.315 10 0 BEAEMO CCC[N@@H+]1CCO[C@H](c2cccc3n[nH]cc32)C1 ZINC000089196294 169205886 /nfs/dbraw/zinc/20/58/86/169205886.db2.gz BNGQBVLWWLBHNB-AWEZNQCLSA-N 1 1 245.326 2.346 10 0 BEAEMO CCC[N@H+]1CCO[C@H](c2cccc3n[nH]cc32)C1 ZINC000089196294 169205887 /nfs/dbraw/zinc/20/58/87/169205887.db2.gz BNGQBVLWWLBHNB-AWEZNQCLSA-N 1 1 245.326 2.346 10 0 BEAEMO CCCNCc1cc(C[N@H+](CC)C(C)C)on1 ZINC000052446779 169265879 /nfs/dbraw/zinc/26/58/79/169265879.db2.gz SMGDKDPBXVTKSL-UHFFFAOYSA-N 1 1 239.363 2.405 10 0 BEAEMO CCCNCc1cc(C[N@@H+](CC)C(C)C)on1 ZINC000052446779 169265881 /nfs/dbraw/zinc/26/58/81/169265881.db2.gz SMGDKDPBXVTKSL-UHFFFAOYSA-N 1 1 239.363 2.405 10 0 BEAEMO CCCNc1[nH+]cnc(N2CCCCCC2)c1N ZINC000040707621 169296976 /nfs/dbraw/zinc/29/69/76/169296976.db2.gz XXWRKWGIUPZLOV-UHFFFAOYSA-N 1 1 249.362 2.261 10 0 BEAEMO CCCNc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040707621 169296977 /nfs/dbraw/zinc/29/69/77/169296977.db2.gz XXWRKWGIUPZLOV-UHFFFAOYSA-N 1 1 249.362 2.261 10 0 BEAEMO CCC[C@@H](C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195450848 169354834 /nfs/dbraw/zinc/35/48/34/169354834.db2.gz YFUVQONUIWLISS-CHWSQXEVSA-N 1 1 238.375 2.119 10 0 BEAEMO CCC[C@@H](C)C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000336750781 169360901 /nfs/dbraw/zinc/36/09/01/169360901.db2.gz ZUJSOYFZAVYTEP-MNOVXSKESA-N 1 1 221.348 2.293 10 0 BEAEMO CCC[C@@H](C)C[NH2+][C@H](C(=O)OC)C(C)C ZINC000035346219 169361140 /nfs/dbraw/zinc/36/11/40/169361140.db2.gz UZWJGDUPJSTRLD-MNOVXSKESA-N 1 1 215.337 2.210 10 0 BEAEMO CCC[C@@H](C)OC(=O)c1c[nH+]ccc1N ZINC000039087047 169372509 /nfs/dbraw/zinc/37/25/09/169372509.db2.gz OYHOFJFZOUXYIJ-MRVPVSSYSA-N 1 1 208.261 2.009 10 0 BEAEMO CCC[C@@H]([NH3+])c1ncc(C(F)(F)F)[nH]1 ZINC000036873745 169393893 /nfs/dbraw/zinc/39/38/93/169393893.db2.gz HKQQODNRNQKHEI-RXMQYKEDSA-N 1 1 207.199 2.228 10 0 BEAEMO c1csc(CCCCC[NH+]2CCNCC2)c1 ZINC000049829406 183515401 /nfs/dbraw/zinc/51/54/01/183515401.db2.gz GFYDFTGJAWXIOJ-UHFFFAOYSA-N 1 1 238.400 2.366 10 0 BEAEMO c1nnc([C@H]2CCCC[N@@H+]2C2CCCC2)[nH]1 ZINC000182699006 134346938 /nfs/dbraw/zinc/34/69/38/134346938.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 1 1 220.320 2.274 10 0 BEAEMO C[C@@H](O)[C@H](C)Nc1cc[nH+]cc1Br ZINC000306525781 383842147 /nfs/dbraw/zinc/84/21/47/383842147.db2.gz RIRZVTHMASDRTG-NKWVEPMBSA-N 1 1 245.120 2.025 10 0 BEAEMO c1ncn([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)n1 ZINC000066539524 383869275 /nfs/dbraw/zinc/86/92/75/383869275.db2.gz SQOSOKJVZSZJFB-STQMWFEESA-N 1 1 232.331 2.024 10 0 BEAEMO 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O=C1OCC[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000095937753 384417226 /nfs/dbraw/zinc/41/72/26/384417226.db2.gz VFWDEMGXCRXMJU-OAHLLOKOSA-N 1 1 245.322 2.216 10 0 BEAEMO CC1(C)C[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309101445 384422712 /nfs/dbraw/zinc/42/27/12/384422712.db2.gz FYDCFJDUBXQLGD-GXSJLCMTSA-N 1 1 205.305 2.175 10 0 BEAEMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(F)c2F)C1 ZINC000334745742 384487571 /nfs/dbraw/zinc/48/75/71/384487571.db2.gz KGOYOAWIEUPPNS-MWLCHTKSSA-N 1 1 241.281 2.168 10 0 BEAEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(F)c2F)C1 ZINC000334745742 384487576 /nfs/dbraw/zinc/48/75/76/384487576.db2.gz KGOYOAWIEUPPNS-MWLCHTKSSA-N 1 1 241.281 2.168 10 0 BEAEMO C[C@H](NCCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000037713439 384513220 /nfs/dbraw/zinc/51/32/20/384513220.db2.gz GYGJVMRKQBJKNR-QMMMGPOBSA-N 1 1 230.714 2.479 10 0 BEAEMO CC[NH+](CC)c1ccc(N2CC[C@@H](CO)C2)cc1 ZINC000011736402 384535941 /nfs/dbraw/zinc/53/59/41/384535941.db2.gz MGZPLHNDNDDMAP-CYBMUJFWSA-N 1 1 248.370 2.351 10 0 BEAEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C1 ZINC000334745998 384559209 /nfs/dbraw/zinc/55/92/09/384559209.db2.gz MQRFFHIJIGLGHS-GXFFZTMASA-N 1 1 223.291 2.028 10 0 BEAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccn1C ZINC000184055630 384559997 /nfs/dbraw/zinc/55/99/97/384559997.db2.gz SSYWWIFEDYSWOC-DZGCQCFKSA-N 1 1 247.386 2.084 10 0 BEAEMO O=C(CCC[N@@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000049773420 384565310 /nfs/dbraw/zinc/56/53/10/384565310.db2.gz LTOFTYZTPKPFAV-CQSZACIVSA-N 1 1 247.338 2.106 10 0 BEAEMO CC[N@@H+](CCc1nccs1)C[C@@](C)(O)CC ZINC000162058668 384566069 /nfs/dbraw/zinc/56/60/69/384566069.db2.gz VPEQCEFWIODRLJ-LBPRGKRZSA-N 1 1 242.388 2.169 10 0 BEAEMO Cc1ccc(CCN2CC[NH+](C3CC3)CC2)cc1 ZINC000124110699 384614984 /nfs/dbraw/zinc/61/49/84/384614984.db2.gz CQQOYJLCJJBXNT-UHFFFAOYSA-N 1 1 244.382 2.318 10 0 BEAEMO [NH3+][C@H]1c2cc(F)ccc2N(C2CCCC2)C1=O ZINC000100236584 384626402 /nfs/dbraw/zinc/62/64/02/384626402.db2.gz JURVBVFQBLFRLX-LBPRGKRZSA-N 1 1 234.274 2.115 10 0 BEAEMO CC(C)(C)OCC[N@H+]1CCC[C@H]1CCCO ZINC000104956843 384725685 /nfs/dbraw/zinc/72/56/85/384725685.db2.gz TXSLPPQYEARUCK-LBPRGKRZSA-N 1 1 229.364 2.038 10 0 BEAEMO CC[C@H](C)C[N@H+](C)Cc1nnc(C)n1CC ZINC000171950121 384681580 /nfs/dbraw/zinc/68/15/80/384681580.db2.gz UWRWWCUXMLMIGE-JTQLQIEISA-N 1 1 224.352 2.084 10 0 BEAEMO CC[C@H](C)C[N@@H+](C)Cc1nnc(C)n1CC ZINC000171950121 384681585 /nfs/dbraw/zinc/68/15/85/384681585.db2.gz UWRWWCUXMLMIGE-JTQLQIEISA-N 1 1 224.352 2.084 10 0 BEAEMO CSCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173650711 384706381 /nfs/dbraw/zinc/70/63/81/384706381.db2.gz IINJVQYAWYPBJC-LBPRGKRZSA-N 1 1 239.388 2.310 10 0 BEAEMO CC[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000104866921 384715575 /nfs/dbraw/zinc/71/55/75/384715575.db2.gz BRFRYMHULIPECP-STQMWFEESA-N 1 1 240.391 2.269 10 0 BEAEMO CC(C)n1nnnc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000108864376 384755651 /nfs/dbraw/zinc/75/56/51/384755651.db2.gz KAOAKSOBCMXKAU-PHIMTYICSA-N 1 1 237.351 2.017 10 0 BEAEMO CC(C)n1nnnc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000108864376 384755661 /nfs/dbraw/zinc/75/56/61/384755661.db2.gz KAOAKSOBCMXKAU-PHIMTYICSA-N 1 1 237.351 2.017 10 0 BEAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC000101564452 384797851 /nfs/dbraw/zinc/79/78/51/384797851.db2.gz WZVUNCJKWVHDAR-CYBMUJFWSA-N 1 1 238.375 2.333 10 0 BEAEMO C[N@@H+](CCc1ccncc1)C[C@H]1CCCC[C@@H]1O ZINC000053884117 384810811 /nfs/dbraw/zinc/81/08/11/384810811.db2.gz MIKWGPONJJKQSG-CABCVRRESA-N 1 1 248.370 2.107 10 0 BEAEMO Cc1cnc([C@@H](C)[NH2+]CCc2cscn2)o1 ZINC000336757472 384876106 /nfs/dbraw/zinc/87/61/06/384876106.db2.gz ZCHYPOIUUXSXCI-SECBINFHSA-N 1 1 237.328 2.333 10 0 BEAEMO CC(C)(C)CC[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000365615653 384907485 /nfs/dbraw/zinc/90/74/85/384907485.db2.gz YZNBVBYUBUFUNR-SNVBAGLBSA-N 1 1 221.348 2.293 10 0 BEAEMO C[N@@H+](CCO)Cc1ccc(C(C)(C)C)s1 ZINC000127924344 384921486 /nfs/dbraw/zinc/92/14/86/384921486.db2.gz BYUGKLFRLBZKJZ-UHFFFAOYSA-N 1 1 227.373 2.470 10 0 BEAEMO C[C@H]([N@H+](C)Cc1nnc(C2CC2)n1C)C1(C)CC1 ZINC000177239371 384927361 /nfs/dbraw/zinc/92/73/61/384927361.db2.gz LESHKGADHAXUFG-JTQLQIEISA-N 1 1 248.374 2.313 10 0 BEAEMO C[C@H]([N@@H+](C)Cc1nnc(C2CC2)n1C)C1(C)CC1 ZINC000177239371 384927367 /nfs/dbraw/zinc/92/73/67/384927367.db2.gz LESHKGADHAXUFG-JTQLQIEISA-N 1 1 248.374 2.313 10 0 BEAEMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccoc2)C1 ZINC000087289964 384938587 /nfs/dbraw/zinc/93/85/87/384938587.db2.gz BDRFIKHOALFYLS-AAEUAGOBSA-N 1 1 222.332 2.415 10 0 BEAEMO CC(C)(CN[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000258910550 384942831 /nfs/dbraw/zinc/94/28/31/384942831.db2.gz IFHVIQRGCNKDGL-LBPRGKRZSA-N 1 1 210.365 2.154 10 0 BEAEMO Cc1ccncc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128038489 384981838 /nfs/dbraw/zinc/98/18/38/384981838.db2.gz FBPKKIOGQGLNBJ-CHWSQXEVSA-N 1 1 231.343 2.429 10 0 BEAEMO C[N@@H+](Cc1cccc2c1NCC2)C1CC1 ZINC000130478129 385044074 /nfs/dbraw/zinc/04/40/74/385044074.db2.gz SCLHMFZPKRXGLO-UHFFFAOYSA-N 1 1 202.301 2.249 10 0 BEAEMO CC[C@H](C)C[N@H+](CC)Cc1nnnn1C(C)C ZINC000177854329 385130391 /nfs/dbraw/zinc/13/03/91/385130391.db2.gz PGLCGISWBHWWQM-NSHDSACASA-N 1 1 239.367 2.122 10 0 BEAEMO CC[C@H](C)C[N@@H+](CC)Cc1nnnn1C(C)C ZINC000177854329 385130397 /nfs/dbraw/zinc/13/03/97/385130397.db2.gz PGLCGISWBHWWQM-NSHDSACASA-N 1 1 239.367 2.122 10 0 BEAEMO CC[C@](C)(O)C[N@@H+](C)Cc1ccoc1C ZINC000119409782 385094954 /nfs/dbraw/zinc/09/49/54/385094954.db2.gz MBJCDPFBTMFXEE-LBPRGKRZSA-N 1 1 211.305 2.181 10 0 BEAEMO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)[C@H]1C ZINC000305780623 385227068 /nfs/dbraw/zinc/22/70/68/385227068.db2.gz OGTRPERLIVLFHB-BVIHXZOGSA-N 1 1 231.339 2.375 10 0 BEAEMO COC[C@H]1CCCC[N@@H+](C[C@@](C)(O)C(C)C)C1 ZINC000364357358 385383723 /nfs/dbraw/zinc/38/37/23/385383723.db2.gz RLUUSMDZFQRTIR-UONOGXRCSA-N 1 1 243.391 2.142 10 0 BEAEMO Cc1cnc(C2CC2)n1CC1CC[NH2+]CC1 ZINC000169676756 385416722 /nfs/dbraw/zinc/41/67/22/385416722.db2.gz PYFPFHIUUDSYBV-UHFFFAOYSA-N 1 1 219.332 2.069 10 0 BEAEMO COCc1cccc(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000179222013 385452089 /nfs/dbraw/zinc/45/20/89/385452089.db2.gz DPGMBBAYMDMPIK-CHWSQXEVSA-N 1 1 249.354 2.442 10 0 BEAEMO C[C@H]1C[C@@](O)(c2ccsc2)CC[N@H+]1C ZINC000156794667 385469706 /nfs/dbraw/zinc/46/97/06/385469706.db2.gz SQMXRNSICPZYLX-GXSJLCMTSA-N 1 1 211.330 2.050 10 0 BEAEMO CCOC(=O)c1cccc([C@H]2CC[N@@H+](C)C2)c1 ZINC000259524264 385546623 /nfs/dbraw/zinc/54/66/23/385546623.db2.gz PWEBFCFMPWUSRL-ZDUSSCGKSA-N 1 1 233.311 2.282 10 0 BEAEMO COC(=O)[C@@H]1CCCC[N@H+](C(C)(C)C)C1 ZINC000260087749 385666310 /nfs/dbraw/zinc/66/63/10/385666310.db2.gz NUVJXJVXWVBKGB-SNVBAGLBSA-N 1 1 213.321 2.060 10 0 BEAEMO Cc1c[nH]nc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000284024644 385847671 /nfs/dbraw/zinc/84/76/71/385847671.db2.gz LXXAWSOEBRHFMR-GFCCVEGCSA-N 1 1 243.310 2.332 10 0 BEAEMO CCOC(=O)[C@H]1CCC[N@H+](C(C)(C)C)CC1 ZINC000261002243 386001289 /nfs/dbraw/zinc/00/12/89/386001289.db2.gz SYKSMLLBNWFFMT-NSHDSACASA-N 1 1 227.348 2.450 10 0 BEAEMO Cn1cccc1C(=O)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000366100295 386079043 /nfs/dbraw/zinc/07/90/43/386079043.db2.gz YEECOEKJVDVLDL-STQMWFEESA-N 1 1 246.354 2.472 10 0 BEAEMO Cn1cccc1C(=O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000366100295 386079051 /nfs/dbraw/zinc/07/90/51/386079051.db2.gz YEECOEKJVDVLDL-STQMWFEESA-N 1 1 246.354 2.472 10 0 BEAEMO CC[C@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CCO1 ZINC000226148826 386238670 /nfs/dbraw/zinc/23/86/70/386238670.db2.gz FUFIOKMXZPWJQG-LSDHHAIUSA-N 1 1 249.354 2.005 10 0 BEAEMO C[C@H]1C[NH2+][C@@H](c2cncc(Cl)c2)S1 ZINC000575576251 386192480 /nfs/dbraw/zinc/19/24/80/386192480.db2.gz LNFWOJRBDXOZPB-IMTBSYHQSA-N 1 1 214.721 2.459 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1F ZINC000399164007 386427568 /nfs/dbraw/zinc/42/75/68/386427568.db2.gz CQFSDOCEJYZTSL-JQWIXIFHSA-N 1 1 223.291 2.171 10 0 BEAEMO CC(C)C1(C[N@H+]2CCN3CCC[C@H]3C2)CC1 ZINC000300363281 386591377 /nfs/dbraw/zinc/59/13/77/386591377.db2.gz HFMLJOMUEUCRRP-ZDUSSCGKSA-N 1 1 222.376 2.203 10 0 BEAEMO CC(C)C1(CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300363281 386591384 /nfs/dbraw/zinc/59/13/84/386591384.db2.gz HFMLJOMUEUCRRP-ZDUSSCGKSA-N 1 1 222.376 2.203 10 0 BEAEMO CC(C)C1(CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300363281 386591387 /nfs/dbraw/zinc/59/13/87/386591387.db2.gz HFMLJOMUEUCRRP-ZDUSSCGKSA-N 1 1 222.376 2.203 10 0 BEAEMO Cc1ccc(CN(C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062911009 386532588 /nfs/dbraw/zinc/53/25/88/386532588.db2.gz IQVYDUXUHXYXJD-OAHLLOKOSA-N 1 1 232.371 2.426 10 0 BEAEMO C[C@@H]1CC2(CCC2)C[N@H+]1CCC(C)(C)O ZINC000335521340 386662012 /nfs/dbraw/zinc/66/20/12/386662012.db2.gz QSCHSPIDYMOHGZ-LLVKDONJSA-N 1 1 211.349 2.412 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccs1 ZINC000295113406 386692440 /nfs/dbraw/zinc/69/24/40/386692440.db2.gz WKJAITHCKNLPGD-KOLCDFICSA-N 1 1 211.330 2.093 10 0 BEAEMO C[C@@H](COCc1ccccc1)[NH2+]Cc1cocn1 ZINC000192319904 386765215 /nfs/dbraw/zinc/76/52/15/386765215.db2.gz HEHHVMYTDBLZJG-LBPRGKRZSA-N 1 1 246.310 2.370 10 0 BEAEMO C[C@H]([NH2+][C@H]1CCCN[C@H]1C)c1ccccc1 ZINC000396589031 386779063 /nfs/dbraw/zinc/77/90/63/386779063.db2.gz SLMLYLKXUWLUMH-OBJOEFQTSA-N 1 1 218.344 2.478 10 0 BEAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000114484089 386784240 /nfs/dbraw/zinc/78/42/40/386784240.db2.gz MIPMHIUCNIFMTH-STQMWFEESA-N 1 1 235.331 2.116 10 0 BEAEMO Cc1cccc(CNC[C@H]2CC[NH2+]C2)c1C ZINC000398372024 386818647 /nfs/dbraw/zinc/81/86/47/386818647.db2.gz QQGXDMJYUZCLJI-ZDUSSCGKSA-N 1 1 218.344 2.003 10 0 BEAEMO COC1(C[N@H+]2C[C@H]3CCC[C@@H]32)CCCC1 ZINC000335709837 386843437 /nfs/dbraw/zinc/84/34/37/386843437.db2.gz QNUWEVPEWJFRKO-NEPJUHHUSA-N 1 1 209.333 2.430 10 0 BEAEMO CC[C@](C)(O)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335710240 386843824 /nfs/dbraw/zinc/84/38/24/386843824.db2.gz QGUIAIZXRMTCBU-KBPBESRZSA-N 1 1 241.375 2.040 10 0 BEAEMO COC1(C[N@H+]2C[C@H]3CCC[C@H]32)CCCC1 ZINC000335709840 386843915 /nfs/dbraw/zinc/84/39/15/386843915.db2.gz QNUWEVPEWJFRKO-VXGBXAGGSA-N 1 1 209.333 2.430 10 0 BEAEMO 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C[C@@H]1CCC[N@H+]1CCOc1ccccc1N ZINC000037909947 176107911 /nfs/dbraw/zinc/10/79/11/176107911.db2.gz KTXPSTGWPMTWSK-LLVKDONJSA-N 1 1 220.316 2.132 10 0 BEAEMO C[C@@H]1CC[N@@H+](C[C@H]2Cc3ccccc32)[C@@H]1CO ZINC000287724004 176174175 /nfs/dbraw/zinc/17/41/75/176174175.db2.gz KHADEKRYMCBJTB-UXIGCNINSA-N 1 1 231.339 2.029 10 0 BEAEMO C[C@@H]1C[N@@H+](C2CCCCC2)C(C)(C)CN1 ZINC000062570344 176283471 /nfs/dbraw/zinc/28/34/71/176283471.db2.gz QBUZAVWNLBPPHB-LLVKDONJSA-N 1 1 210.365 2.391 10 0 BEAEMO C[C@@H]1CN(CCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049711342 176294266 /nfs/dbraw/zinc/29/42/66/176294266.db2.gz XJIIIDAGCBVIMP-RISCZKNCSA-N 1 1 236.334 2.037 10 0 BEAEMO C[C@@H]1C[N@@H+](C[C@H]2Cc3ccccc32)CCC1=O ZINC000251861442 176299696 /nfs/dbraw/zinc/29/96/96/176299696.db2.gz SNAVTYDAIZRQPY-DGCLKSJQSA-N 1 1 229.323 2.237 10 0 BEAEMO C[C@@H]1CCCC[C@@]1(CN)[N@H+]1CCCO[C@H](C)C1 ZINC000061916239 176318624 /nfs/dbraw/zinc/31/86/24/176318624.db2.gz OJTCOTWJVZVHCU-MCIONIFRSA-N 1 1 240.391 2.005 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(O)c1 ZINC000156077300 176322534 /nfs/dbraw/zinc/32/25/34/176322534.db2.gz UKDKJLAHJWLIGH-TZMCWYRMSA-N 1 1 246.354 2.061 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1 ZINC000083550967 176322726 /nfs/dbraw/zinc/32/27/26/176322726.db2.gz ISEDLVKAXBTSJT-UKRRQHHQSA-N 1 1 230.355 2.355 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083550723 176323337 /nfs/dbraw/zinc/32/33/37/176323337.db2.gz WHGZXGFIICZOAB-IUODEOHRSA-N 1 1 248.345 2.494 10 0 BEAEMO C[C@@H]1CNC(C)(C)C[N@H+]1C1CCCCC1 ZINC000041225121 176324590 /nfs/dbraw/zinc/32/45/90/176324590.db2.gz NIJVLEXSFYYLLB-LLVKDONJSA-N 1 1 210.365 2.391 10 0 BEAEMO C[C@@H]1CNC[C@@H](C)[NH+]1CCCc1ccccc1 ZINC000019801303 176328682 /nfs/dbraw/zinc/32/86/82/176328682.db2.gz QSKCRZDQFVKMFM-ZIAGYGMSSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@@H]1C[NH2+]C[C@H]1c1nc(C2CCCCC2)n[nH]1 ZINC000104211222 176330241 /nfs/dbraw/zinc/33/02/41/176330241.db2.gz ABVMFGAMMKOXRE-MWLCHTKSSA-N 1 1 234.347 2.175 10 0 BEAEMO C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CC[N@H+]1C ZINC000123943198 176370433 /nfs/dbraw/zinc/37/04/33/176370433.db2.gz VCHGUWOUJUHHKI-NEPJUHHUSA-N 1 1 240.391 2.364 10 0 BEAEMO C[C@H]([N@H+](C)CCNC[C@@H]1CCCO1)C(C)(C)C ZINC000053390888 176745202 /nfs/dbraw/zinc/74/52/02/176745202.db2.gz FCZHTCPMVYFESE-STQMWFEESA-N 1 1 242.407 2.121 10 0 BEAEMO C[C@H]([N@@H+](C)CCNC[C@@H]1CCCO1)C(C)(C)C ZINC000053390888 176745204 /nfs/dbraw/zinc/74/52/04/176745204.db2.gz FCZHTCPMVYFESE-STQMWFEESA-N 1 1 242.407 2.121 10 0 BEAEMO C[C@H](c1ccc(N)cc1)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053205339 177033819 /nfs/dbraw/zinc/03/38/19/177033819.db2.gz CNHSAXHCTSNJRY-IUODEOHRSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H](c1ccc(N)cc1)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205339 177033820 /nfs/dbraw/zinc/03/38/20/177033820.db2.gz CNHSAXHCTSNJRY-IUODEOHRSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H](c1ccc(N)cc1)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205339 177033822 /nfs/dbraw/zinc/03/38/22/177033822.db2.gz 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C[C@H]1[C@H](O)CCC[N@H+]1CCCC(C)(F)F ZINC000718686603 712777114 /nfs/dbraw/zinc/77/71/14/712777114.db2.gz IAGVCMDBXFOCBJ-VHSXEESVSA-N 1 1 221.291 2.267 10 0 BEAEMO CC(C)[C@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978315 712790805 /nfs/dbraw/zinc/79/08/05/712790805.db2.gz CGIDTYBBXKGKSM-NWDGAFQWSA-N 1 1 227.348 2.116 10 0 BEAEMO CC(C)c1nccnc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719780527 712824806 /nfs/dbraw/zinc/82/48/06/712824806.db2.gz GVWWHDQUAIYMII-QWRGUYRKSA-N 1 1 234.347 2.105 10 0 BEAEMO Cc1ccc(C)c(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000720595770 712856351 /nfs/dbraw/zinc/85/63/51/712856351.db2.gz NFMIKZOSLMCXSL-LBPRGKRZSA-N 1 1 244.342 2.283 10 0 BEAEMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N)nc1 ZINC000136532388 960767983 /nfs/dbraw/zinc/76/79/83/960767983.db2.gz BHNONYHOYHZMGJ-CMPLNLGQSA-N 1 1 219.332 2.427 10 0 BEAEMO CC[N@@H+]1CC[C@@H](N)C12CCC(C)(C)CC2 ZINC000685955100 538900237 /nfs/dbraw/zinc/90/02/37/538900237.db2.gz SXJKNXOBSAGZPL-LLVKDONJSA-N 1 1 210.365 2.378 10 0 BEAEMO CC[N@H+]1CC[C@@H](N)C12CCC(C)(C)CC2 ZINC000685955100 538900238 /nfs/dbraw/zinc/90/02/38/538900238.db2.gz SXJKNXOBSAGZPL-LLVKDONJSA-N 1 1 210.365 2.378 10 0 BEAEMO CCC[N@@H+]1CC[C@@H](N)C12CCC(C)CC2 ZINC000685955134 538900621 /nfs/dbraw/zinc/90/06/21/538900621.db2.gz UGTHRFWKICWCAP-OTTFEQOBSA-N 1 1 210.365 2.378 10 0 BEAEMO CCC[N@H+]1CC[C@@H](N)C12CCC(C)CC2 ZINC000685955134 538900622 /nfs/dbraw/zinc/90/06/22/538900622.db2.gz UGTHRFWKICWCAP-OTTFEQOBSA-N 1 1 210.365 2.378 10 0 BEAEMO C[NH2+]CC(F)(F)CO[C@H](C)C1CCC1 ZINC000685956855 538901396 /nfs/dbraw/zinc/90/13/96/538901396.db2.gz LOGQGLRGGQIUDM-MRVPVSSYSA-N 1 1 207.264 2.046 10 0 BEAEMO C[C@@H]([NH3+])c1cnc(C(Cl)(Cl)Cl)[nH]1 ZINC000685956457 538903008 /nfs/dbraw/zinc/90/30/08/538903008.db2.gz UQCNYMZEGHGIFX-GSVOUGTGSA-N 1 1 228.510 2.256 10 0 BEAEMO C[C@H]([NH3+])c1cnc(C(Cl)(Cl)Cl)[nH]1 ZINC000685956461 538903125 /nfs/dbraw/zinc/90/31/25/538903125.db2.gz UQCNYMZEGHGIFX-VKHMYHEASA-N 1 1 228.510 2.256 10 0 BEAEMO CC[NH2+]CC(F)(F)CO[C@@H](C)C(C)C ZINC000685957111 538903346 /nfs/dbraw/zinc/90/33/46/538903346.db2.gz MVWHWYVXQGGGCO-VIFPVBQESA-N 1 1 209.280 2.292 10 0 BEAEMO C[NH2+]CC(F)(F)COCc1cccs1 ZINC000685957193 538904501 /nfs/dbraw/zinc/90/45/01/538904501.db2.gz UIJSKXMRCOLSIJ-UHFFFAOYSA-N 1 1 221.272 2.119 10 0 BEAEMO CC[NH2+]CC(F)(F)COC(CC)CC ZINC000685957733 538904936 /nfs/dbraw/zinc/90/49/36/538904936.db2.gz ZLIQZNOQMXVYJS-UHFFFAOYSA-N 1 1 209.280 2.436 10 0 BEAEMO CC(C)[C@@]1(CO)C[C@H]1C[N@H+]1CCC[C@@H](C)C1 ZINC000685961403 538908432 /nfs/dbraw/zinc/90/84/32/538908432.db2.gz REOKHUNAXHKBAS-RDBSUJKOSA-N 1 1 225.376 2.373 10 0 BEAEMO CC(C)[C@]1(CO)C[C@H]1C[N@H+]1CCC[C@@H](C)C1 ZINC000685961399 538908550 /nfs/dbraw/zinc/90/85/50/538908550.db2.gz REOKHUNAXHKBAS-HZSPNIEDSA-N 1 1 225.376 2.373 10 0 BEAEMO CC(C)[N@@H+]1CC[C@H](N)[C@]12CCCC[C@@H]2C ZINC000685952780 538896887 /nfs/dbraw/zinc/89/68/87/538896887.db2.gz CUAIQZBKRPFHCF-RWMBFGLXSA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@H](N)[C@]12CCCC[C@@H]2C ZINC000685952780 538896888 /nfs/dbraw/zinc/89/68/88/538896888.db2.gz CUAIQZBKRPFHCF-RWMBFGLXSA-N 1 1 210.365 2.377 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616611694 349467132 /nfs/dbraw/zinc/46/71/32/349467132.db2.gz UEVKIBRLNQZCJO-LLVKDONJSA-N 1 1 227.311 2.439 10 0 BEAEMO CCC(CC)(CN)C[N@@H+]1CCC[C@H](C)C1 ZINC000051210123 168322905 /nfs/dbraw/zinc/32/29/05/168322905.db2.gz VJZSRFRWQDFTEC-LBPRGKRZSA-N 1 1 212.381 2.483 10 0 BEAEMO CCC(CC)(CN)C[N@H+]1CCC[C@H](C)C1 ZINC000051210123 168322907 /nfs/dbraw/zinc/32/29/07/168322907.db2.gz VJZSRFRWQDFTEC-LBPRGKRZSA-N 1 1 212.381 2.483 10 0 BEAEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616588329 349490517 /nfs/dbraw/zinc/49/05/17/349490517.db2.gz QGGGVKWNUHUANK-CQSZACIVSA-N 1 1 225.295 2.054 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616617177 398180326 /nfs/dbraw/zinc/18/03/26/398180326.db2.gz LRBJLQYIOCYIIY-CYBMUJFWSA-N 1 1 219.328 2.031 10 0 BEAEMO CCC[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696340 259302442 /nfs/dbraw/zinc/30/24/42/259302442.db2.gz WGVPJGOYCWNLBP-NEPJUHHUSA-N 1 1 221.348 2.398 10 0 BEAEMO Cc1cc([C@H](C)N2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000044730732 178243991 /nfs/dbraw/zinc/24/39/91/178243991.db2.gz MGJMRJWLWOEYEF-CMPLNLGQSA-N 1 1 222.332 2.238 10 0 BEAEMO CC[C@H](NC[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000386271746 398264066 /nfs/dbraw/zinc/26/40/66/398264066.db2.gz ZUZNXYYQDJKHEM-MNOVXSKESA-N 1 1 239.388 2.278 10 0 BEAEMO CC[C@H](NC[C@H]1CCC[N@H+]1C)c1nccs1 ZINC000386271746 398264067 /nfs/dbraw/zinc/26/40/67/398264067.db2.gz ZUZNXYYQDJKHEM-MNOVXSKESA-N 1 1 239.388 2.278 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@@H](CN)CC(C)C ZINC000042615057 168374446 /nfs/dbraw/zinc/37/44/46/168374446.db2.gz IHYQESSMKZMEEO-CQSZACIVSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)C[C@@H]([NH3+])C(C)(C)C ZINC000042616077 168373956 /nfs/dbraw/zinc/37/39/56/168373956.db2.gz HCHZCUZTRIBRTR-CYBMUJFWSA-N 1 1 244.423 2.497 10 0 BEAEMO CCC(CC)N(CCOC)c1ccc(N)c[nH+]1 ZINC000042614494 168375865 /nfs/dbraw/zinc/37/58/65/168375865.db2.gz GMURCDSJZKDUEG-UHFFFAOYSA-N 1 1 237.347 2.305 10 0 BEAEMO C[NH2+]C1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000381647138 398268576 /nfs/dbraw/zinc/26/85/76/398268576.db2.gz XZGLUYWDCRDWEH-LLVKDONJSA-N 1 1 246.345 2.496 10 0 BEAEMO OCC[N@H+]1CC[C@H](c2nccc3ccccc32)C1 ZINC000616613009 349601343 /nfs/dbraw/zinc/60/13/43/349601343.db2.gz GLZPZERKFLEZRW-ZDUSSCGKSA-N 1 1 242.322 2.016 10 0 BEAEMO C[N@H+]1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616613072 349605610 /nfs/dbraw/zinc/60/56/10/349605610.db2.gz KQFSBDNAMRRUBV-GFCCVEGCSA-N 1 1 213.284 2.049 10 0 BEAEMO c1nn(Cc2ccccc2)cc1[C@H]1[NH2+]CCS1 ZINC000306650301 361843783 /nfs/dbraw/zinc/84/37/83/361843783.db2.gz HICDCJBMLCPBTB-ZDUSSCGKSA-N 1 1 245.351 2.266 10 0 BEAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)C2=O ZINC000035962662 342811414 /nfs/dbraw/zinc/81/14/14/342811414.db2.gz TWMONWHWHWPJFW-YNEHKIRRSA-N 1 1 215.296 2.206 10 0 BEAEMO Brc1c[nH+]ccc1N1CC=CC1 ZINC000126995124 342811892 /nfs/dbraw/zinc/81/18/92/342811892.db2.gz ZXEVGTVPMLMGAZ-UHFFFAOYSA-N 1 1 225.089 2.220 10 0 BEAEMO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2nccs2)C1 ZINC000381568361 539004380 /nfs/dbraw/zinc/00/43/80/539004380.db2.gz VSFMCONWJZSQII-HBNTYKKESA-N 1 1 239.388 2.134 10 0 BEAEMO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000381568361 539004381 /nfs/dbraw/zinc/00/43/81/539004381.db2.gz VSFMCONWJZSQII-HBNTYKKESA-N 1 1 239.388 2.134 10 0 BEAEMO CC[N@H+]1C[C@H](N[C@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739428 539006345 /nfs/dbraw/zinc/00/63/45/539006345.db2.gz ORCCGOZKFQTYCP-TUAOUCFPSA-N 1 1 222.332 2.270 10 0 BEAEMO CC[N@@H+]1C[C@H](N[C@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739428 539006346 /nfs/dbraw/zinc/00/63/46/539006346.db2.gz ORCCGOZKFQTYCP-TUAOUCFPSA-N 1 1 222.332 2.270 10 0 BEAEMO C[C@H]([NH3+])c1nnc([C@]2(C)CCCS2)s1 ZINC000164993168 342864104 /nfs/dbraw/zinc/86/41/04/342864104.db2.gz UYNCQRMAXFWFDD-RCOVLWMOSA-N 1 1 229.374 2.300 10 0 BEAEMO CC(C)(CO)Nc1cc[nH+]cc1Br ZINC000165046729 342872415 /nfs/dbraw/zinc/87/24/15/342872415.db2.gz BFPLCZNOSQCEOI-UHFFFAOYSA-N 1 1 245.120 2.027 10 0 BEAEMO C[N@H+]1CCC[C@@H]1[C@@H]1CCc2ccc(O)cc2O1 ZINC000034006218 342878389 /nfs/dbraw/zinc/87/83/89/342878389.db2.gz ZNYNSJDQHMXNFR-OLZOCXBDSA-N 1 1 233.311 2.180 10 0 BEAEMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000134773054 342884239 /nfs/dbraw/zinc/88/42/39/342884239.db2.gz AUVHCKVUPCCCRN-VIFPVBQESA-N 1 1 249.289 2.408 10 0 BEAEMO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)C(C)C ZINC000036980819 342915291 /nfs/dbraw/zinc/91/52/91/342915291.db2.gz UFTRVJLFQQSVBA-GHMZBOCLSA-N 1 1 215.337 2.208 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1CN(C)CCc1ccccn1 ZINC000175340794 346893955 /nfs/dbraw/zinc/89/39/55/346893955.db2.gz BHUSGDHARGDXHQ-OAHLLOKOSA-N 1 1 247.386 2.040 10 0 BEAEMO CCN1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000040502568 346901819 /nfs/dbraw/zinc/90/18/19/346901819.db2.gz QQSMLSDALXWXNW-LLVKDONJSA-N 1 1 239.388 2.025 10 0 BEAEMO CSc1ccc(CNC[C@@H]2CC[NH2+]C2)cc1 ZINC000259000155 343129007 /nfs/dbraw/zinc/12/90/07/343129007.db2.gz WSRZBLWCVCQOKD-GFCCVEGCSA-N 1 1 236.384 2.108 10 0 BEAEMO CC1(C)C[C@@H](CO)C[N@H+]1Cc1ccccc1 ZINC000259478555 343130027 /nfs/dbraw/zinc/13/00/27/343130027.db2.gz RFTGBAOGTLSXQW-CYBMUJFWSA-N 1 1 219.328 2.279 10 0 BEAEMO CCCCC[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000036907536 343327496 /nfs/dbraw/zinc/32/74/96/343327496.db2.gz YUXAOOKQNMXUKB-AVGNSLFASA-N 1 1 212.381 2.495 10 0 BEAEMO COC(=O)C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000035751858 343303804 /nfs/dbraw/zinc/30/38/04/343303804.db2.gz QHPOOEXYBVPKDB-LLVKDONJSA-N 1 1 221.300 2.070 10 0 BEAEMO COCCCCC[N@H+]1CCS[C@@H](C)C1 ZINC000170901311 536873115 /nfs/dbraw/zinc/87/31/15/536873115.db2.gz RPPOEBZBHVASQM-NSHDSACASA-N 1 1 217.378 2.240 10 0 BEAEMO CCOc1cccc(C[NH2+]Cc2nccn2C)c1 ZINC000037679917 343351294 /nfs/dbraw/zinc/35/12/94/343351294.db2.gz DNTGCRSTKUELIE-UHFFFAOYSA-N 1 1 245.326 2.109 10 0 BEAEMO [NH3+][C@@H](c1cnc2ccccc2c1)c1cnccn1 ZINC000037761877 343353998 /nfs/dbraw/zinc/35/39/98/343353998.db2.gz VPODSAXKJBLBHK-AWEZNQCLSA-N 1 1 236.278 2.073 10 0 BEAEMO C[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1F ZINC000037764624 343354316 /nfs/dbraw/zinc/35/43/16/343354316.db2.gz PZPSQEACVMVISR-SNVBAGLBSA-N 1 1 233.290 2.410 10 0 BEAEMO COC(=O)[C@@H](CC(C)(C)C)[NH2+]CC(C)C ZINC000061840417 344032210 /nfs/dbraw/zinc/03/22/10/344032210.db2.gz VLGPZXZRXABTQC-SNVBAGLBSA-N 1 1 215.337 2.210 10 0 BEAEMO C[C@@]12CC[N@@H+](CC3(O)CCCC3)C[C@@H]1C2(F)F ZINC000335731834 136349042 /nfs/dbraw/zinc/34/90/42/136349042.db2.gz FOGYLHCRMZVLIN-WDEREUQCSA-N 1 1 245.313 2.269 10 0 BEAEMO CCC(CC)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177741784 346938177 /nfs/dbraw/zinc/93/81/77/346938177.db2.gz ADMNQHTZPZZPEY-CYBMUJFWSA-N 1 1 238.375 2.119 10 0 BEAEMO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000308733913 488220842 /nfs/dbraw/zinc/22/08/42/488220842.db2.gz XXLYCBMMSCMYAU-YVECIDJPSA-N 1 1 209.333 2.022 10 0 BEAEMO CC(C)(C)[N@H+]1CC[C@H](OC(F)(F)F)C1 ZINC000616613854 343520877 /nfs/dbraw/zinc/52/08/77/343520877.db2.gz STTWNJZAXQNISR-ZETCQYMHSA-N 1 1 211.227 2.396 10 0 BEAEMO OCC[N@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616656338 343531910 /nfs/dbraw/zinc/53/19/10/343531910.db2.gz VUWAGVWNENBIEJ-GFCCVEGCSA-N 1 1 237.318 2.388 10 0 BEAEMO CC(C)[N@H+]1CCOC[C@@H](c2ccc(N)cc2)C1 ZINC000616660502 343532919 /nfs/dbraw/zinc/53/29/19/343532919.db2.gz LUUACSOFHIKCTB-ZDUSSCGKSA-N 1 1 234.343 2.093 10 0 BEAEMO C[N@@H+](CCO)C[C@@H]1CCc2ccc(Cl)cc21 ZINC000163962961 343533569 /nfs/dbraw/zinc/53/35/69/343533569.db2.gz IDCNHGMCXHVFAG-NSHDSACASA-N 1 1 239.746 2.294 10 0 BEAEMO [NH3+][C@@H](c1cnns1)c1ccc(Cl)cc1 ZINC000135042508 343587349 /nfs/dbraw/zinc/58/73/49/343587349.db2.gz RXZJBEJVPASMDB-SECBINFHSA-N 1 1 225.704 2.240 10 0 BEAEMO c1cc2c(s1)[C@H](c1cscn1)[NH2+]CC2 ZINC000712526237 537790599 /nfs/dbraw/zinc/79/05/99/537790599.db2.gz IISXSFKNEVONOB-VIFPVBQESA-N 1 1 222.338 2.440 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000221688422 346953027 /nfs/dbraw/zinc/95/30/27/346953027.db2.gz KIMYANVRAWRQBF-KXUCPTDWSA-N 1 1 214.378 2.029 10 0 BEAEMO Cc1nc(N)c(C)c(NCc2ccccc2)[nH+]1 ZINC000128360809 346954172 /nfs/dbraw/zinc/95/41/72/346954172.db2.gz MQDQPLBQWDTUEP-UHFFFAOYSA-N 1 1 228.299 2.288 10 0 BEAEMO O[C@@H]1C[N@@H+](Cc2ccccc2)CCC12CC2 ZINC000059068305 343704900 /nfs/dbraw/zinc/70/49/00/343704900.db2.gz JWSLQKOQLDDQHH-CYBMUJFWSA-N 1 1 217.312 2.033 10 0 BEAEMO Nc1ccc[nH+]c1N1CCC[C@H]1c1cccnc1 ZINC000036132043 343681817 /nfs/dbraw/zinc/68/18/17/343681817.db2.gz WBBZCFJDYHAAGZ-ZDUSSCGKSA-N 1 1 240.310 2.400 10 0 BEAEMO COc1cc(OC)cc([C@H]2[NH2+]CCS2)c1 ZINC000035416541 343779769 /nfs/dbraw/zinc/77/97/69/343779769.db2.gz SWDFKTPJWKUBOS-NSHDSACASA-N 1 1 225.313 2.039 10 0 BEAEMO C[C@H]1CCCCN1c1cc(N)nc(C2CC2)[nH+]1 ZINC000126858911 343786612 /nfs/dbraw/zinc/78/66/12/343786612.db2.gz NNWSRUQEKHUIMB-VIFPVBQESA-N 1 1 232.331 2.315 10 0 BEAEMO CNc1cc(N2CCCCC2)[nH+]c(C2CC2)n1 ZINC000126871586 343786626 /nfs/dbraw/zinc/78/66/26/343786626.db2.gz PVGIVQPAMQKWHH-UHFFFAOYSA-N 1 1 232.331 2.386 10 0 BEAEMO CCOC[C@@H]1CCCCN1c1[nH+]cccc1N ZINC000313233653 343791454 /nfs/dbraw/zinc/79/14/54/343791454.db2.gz CETALFSSBXRFDK-NSHDSACASA-N 1 1 235.331 2.059 10 0 BEAEMO Nc1ccc(N2CC[C@@H](C(F)(F)F)C2)[nH+]c1 ZINC000304399237 343796882 /nfs/dbraw/zinc/79/68/82/343796882.db2.gz MKFDGQQTFATWIN-SSDOTTSWSA-N 1 1 231.221 2.052 10 0 BEAEMO CC(C)Cn1cccc1-c1noc([C@@H](C)[NH3+])n1 ZINC000409421986 343812278 /nfs/dbraw/zinc/81/22/78/343812278.db2.gz AXGKCGVPPLGQLB-SECBINFHSA-N 1 1 234.303 2.214 10 0 BEAEMO CC(C)Cn1cccc1-c1noc([C@H](C)[NH3+])n1 ZINC000409421987 343812351 /nfs/dbraw/zinc/81/23/51/343812351.db2.gz AXGKCGVPPLGQLB-VIFPVBQESA-N 1 1 234.303 2.214 10 0 BEAEMO CC(F)(F)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000409433742 343830164 /nfs/dbraw/zinc/83/01/64/343830164.db2.gz ZCLVLDDEXOKHAG-JTQLQIEISA-N 1 1 232.318 2.106 10 0 BEAEMO [NH3+]Cc1noc([C@@H](C2CCCC2)n2cccc2)n1 ZINC000409439217 343847139 /nfs/dbraw/zinc/84/71/39/343847139.db2.gz GDBGHZREJXTMTM-GFCCVEGCSA-N 1 1 246.314 2.109 10 0 BEAEMO c1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c[nH]1 ZINC000179855207 347000050 /nfs/dbraw/zinc/00/00/50/347000050.db2.gz UZYGSNDQGGFKJH-GFCCVEGCSA-N 1 1 230.315 2.117 10 0 BEAEMO c1cc([C@@H]2CCC[N@@H+](Cc3cc[nH]c3)C2)[nH]n1 ZINC000179855207 347000053 /nfs/dbraw/zinc/00/00/53/347000053.db2.gz UZYGSNDQGGFKJH-GFCCVEGCSA-N 1 1 230.315 2.117 10 0 BEAEMO c1cc([C@@H]2CCC[N@H+](Cc3cc[nH]c3)C2)[nH]n1 ZINC000179855207 347000056 /nfs/dbraw/zinc/00/00/56/347000056.db2.gz UZYGSNDQGGFKJH-GFCCVEGCSA-N 1 1 230.315 2.117 10 0 BEAEMO CC(C)[C@@H]1CC[N@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000159062748 347000460 /nfs/dbraw/zinc/00/04/60/347000460.db2.gz WDAIUTDFZLACOE-VXGBXAGGSA-N 1 1 209.333 2.476 10 0 BEAEMO CC[N@H+]1CCC[C@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641303416 362352024 /nfs/dbraw/zinc/35/20/24/362352024.db2.gz DEELFGBBVXBVHF-LBPRGKRZSA-N 1 1 246.358 2.250 10 0 BEAEMO Clc1ccc(CNc2[nH+]cnc3[nH]ccc32)o1 ZINC000588894984 344199482 /nfs/dbraw/zinc/19/94/82/344199482.db2.gz LHVUQDNYFSPXAR-UHFFFAOYSA-N 1 1 248.673 2.238 10 0 BEAEMO CC[C@@H](OCCC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000219842601 344300119 /nfs/dbraw/zinc/30/01/19/344300119.db2.gz LLVQZOAPNWJUOB-QWHCGFSZSA-N 1 1 228.380 2.081 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(F)n1 ZINC000092665303 344300659 /nfs/dbraw/zinc/30/06/59/344300659.db2.gz HKFQMQGERCFMGJ-LLVKDONJSA-N 1 1 237.322 2.141 10 0 BEAEMO C[N@H+]1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616607958 344466511 /nfs/dbraw/zinc/46/65/11/344466511.db2.gz ZIDOHKTYSKUADL-ZDUSSCGKSA-N 1 1 213.284 2.397 10 0 BEAEMO CC(=O)Nc1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC000616613193 344515780 /nfs/dbraw/zinc/51/57/80/344515780.db2.gz PUFHGYZARKZONK-GFCCVEGCSA-N 1 1 218.300 2.064 10 0 BEAEMO CSC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000381653269 344530985 /nfs/dbraw/zinc/53/09/85/344530985.db2.gz SFVGMBWCUWBDBQ-AVGNSLFASA-N 1 1 243.416 2.365 10 0 BEAEMO C[C@H]1C[C@@](O)(c2ccc(Cl)s2)C[N@H+]1C ZINC000127474588 344545465 /nfs/dbraw/zinc/54/54/65/344545465.db2.gz DBCWRBNEPSGTCV-XVKPBYJWSA-N 1 1 231.748 2.313 10 0 BEAEMO C[C@@H]1CSCC[N@@H+]1CC(=O)C1CCCC1 ZINC000158257315 344575738 /nfs/dbraw/zinc/57/57/38/344575738.db2.gz LZMBNSASUCPBLG-SNVBAGLBSA-N 1 1 227.373 2.183 10 0 BEAEMO C[C@@H]1CSCC[N@H+]1CC(=O)C1CCCC1 ZINC000158257315 344575739 /nfs/dbraw/zinc/57/57/39/344575739.db2.gz LZMBNSASUCPBLG-SNVBAGLBSA-N 1 1 227.373 2.183 10 0 BEAEMO Cc1ccncc1[C@@H]1[NH2+]C[C@H](C)CS1 ZINC000135523703 344741874 /nfs/dbraw/zinc/74/18/74/344741874.db2.gz DMIJTWBGLWNXTE-GZMMTYOYSA-N 1 1 208.330 2.361 10 0 BEAEMO C[C@H]1C[C@@H](Nc2nsnc2Cl)CC[N@H+]1C ZINC000158598467 344687764 /nfs/dbraw/zinc/68/77/64/344687764.db2.gz CECONFHYKQHXGL-BQBZGAKWSA-N 1 1 246.767 2.086 10 0 BEAEMO CC[C@H]1CC[N@@H+](C[C@@H]2CCCCC2=O)C1 ZINC000166651606 344950443 /nfs/dbraw/zinc/95/04/43/344950443.db2.gz FTYOUKMSHYOGDD-RYUDHWBXSA-N 1 1 209.333 2.478 10 0 BEAEMO Cc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)on1 ZINC000044300902 345015396 /nfs/dbraw/zinc/01/53/96/345015396.db2.gz FWNCFLILZMGSIX-UHFFFAOYSA-N 1 1 246.266 2.002 10 0 BEAEMO Cc1nnc([C@@H]([NH2+]C(C)C)c2ccccc2)[nH]1 ZINC000154161543 345015479 /nfs/dbraw/zinc/01/54/79/345015479.db2.gz ULWBPRKSZDFWIR-LBPRGKRZSA-N 1 1 230.315 2.201 10 0 BEAEMO C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000230903942 349922284 /nfs/dbraw/zinc/92/22/84/349922284.db2.gz DTDOFYNAYVGQID-CQSZACIVSA-N 1 1 218.344 2.118 10 0 BEAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CC(C)(C)C)C1 ZINC000155659764 345095307 /nfs/dbraw/zinc/09/53/07/345095307.db2.gz DDRLQCLSRDGNOQ-NEPJUHHUSA-N 1 1 240.391 2.268 10 0 BEAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000156228560 345140923 /nfs/dbraw/zinc/14/09/23/345140923.db2.gz KTQVYXOWFCGNCV-CYBMUJFWSA-N 1 1 233.359 2.492 10 0 BEAEMO CCC[C@H](C)C[N@@H+](CC(=O)OC)C(C)C ZINC000051323743 345401284 /nfs/dbraw/zinc/40/12/84/345401284.db2.gz KGHARWKIPRPQOJ-NSHDSACASA-N 1 1 215.337 2.306 10 0 BEAEMO C[C@@H](c1cccs1)[N@H+]1CCC[C@H]1CO ZINC000253605911 345692276 /nfs/dbraw/zinc/69/22/76/345692276.db2.gz FOSBXQVJASKAAC-UWVGGRQHSA-N 1 1 211.330 2.266 10 0 BEAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000308876501 537908919 /nfs/dbraw/zinc/90/89/19/537908919.db2.gz DAYSBAJLIZBTDD-JHJVBQTASA-N 1 1 211.349 2.269 10 0 BEAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000308876504 537909049 /nfs/dbraw/zinc/90/90/49/537909049.db2.gz DAYSBAJLIZBTDD-UPJWGTAASA-N 1 1 211.349 2.269 10 0 BEAEMO CCOC(=O)/C=C/C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000250140318 537909835 /nfs/dbraw/zinc/90/98/35/537909835.db2.gz NQQKOMFBTXCISN-RQDOONKYSA-N 1 1 225.332 2.226 10 0 BEAEMO Nc1ccc2sc(C[NH+]3CCOCC3)cc2c1 ZINC000136272314 345810463 /nfs/dbraw/zinc/81/04/63/345810463.db2.gz FSZCVSHQVWJBGB-UHFFFAOYSA-N 1 1 248.351 2.316 10 0 BEAEMO CC[C@@H](C)[N@H+]1CCc2ccc(N)c(N)c2C1 ZINC000034116921 345817274 /nfs/dbraw/zinc/81/72/74/345817274.db2.gz KKVQFAPTILLXEU-SECBINFHSA-N 1 1 219.332 2.008 10 0 BEAEMO COC(=O)[C@](C)([NH3+])Cc1cccc2ccccc21 ZINC000034147241 345818332 /nfs/dbraw/zinc/81/83/32/345818332.db2.gz DSVUEEGFTQCBSR-OAHLLOKOSA-N 1 1 243.306 2.273 10 0 BEAEMO [NH2+]=C1N[C@H]2CCCC[C@H]2Oc2ccsc21 ZINC000142529492 345863286 /nfs/dbraw/zinc/86/32/86/345863286.db2.gz HIFDQIOQNLMRHW-JGVFFNPUSA-N 1 1 222.313 2.157 10 0 BEAEMO CNc1cc(NCC2CC2)[nH+]c(C2CC2)n1 ZINC000087908981 345939921 /nfs/dbraw/zinc/93/99/21/345939921.db2.gz PCJZSBCWZYNVDK-UHFFFAOYSA-N 1 1 218.304 2.218 10 0 BEAEMO Cc1ccc2oc(-c3nc(C[NH3+])no3)cc2c1 ZINC000042894296 178985776 /nfs/dbraw/zinc/98/57/76/178985776.db2.gz YAKRJZPJQRWHTH-UHFFFAOYSA-N 1 1 229.239 2.250 10 0 BEAEMO [NH3+][C@H](C1=CCCO1)c1ncccc1Cl ZINC000236317410 346224874 /nfs/dbraw/zinc/22/48/74/346224874.db2.gz RYMRACBOCXAKRD-SECBINFHSA-N 1 1 210.664 2.039 10 0 BEAEMO COc1ccc([C@@H]([NH3+])C(=O)C2CCC2)cc1 ZINC000669376655 537962790 /nfs/dbraw/zinc/96/27/90/537962790.db2.gz FTKHJPOGXXXXOM-GFCCVEGCSA-N 1 1 219.284 2.064 10 0 BEAEMO Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000294718541 179075874 /nfs/dbraw/zinc/07/58/74/179075874.db2.gz CJKBQUBQJLILNA-JSGCOSHPSA-N 1 1 219.328 2.340 10 0 BEAEMO Cc1cccc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000048329634 179096235 /nfs/dbraw/zinc/09/62/35/179096235.db2.gz VKMQPHALCKXGOR-UHFFFAOYSA-N 1 1 228.295 2.385 10 0 BEAEMO Cc1cccc(N)c1NC(=O)C[N@H+](C)CC(C)C ZINC000037273365 179119664 /nfs/dbraw/zinc/11/96/64/179119664.db2.gz RNBYLFVYYSXDCJ-UHFFFAOYSA-N 1 1 249.358 2.104 10 0 BEAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@@H]1O ZINC000585655987 346653084 /nfs/dbraw/zinc/65/30/84/346653084.db2.gz UDYDEKZXNWJGHP-DABQJJPHSA-N 1 1 219.328 2.135 10 0 BEAEMO Cc1cccc(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000053343874 179145403 /nfs/dbraw/zinc/14/54/03/179145403.db2.gz KRFQBHVEGVBVED-CYBMUJFWSA-N 1 1 234.343 2.128 10 0 BEAEMO Cc1cccc(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000053343874 179145406 /nfs/dbraw/zinc/14/54/06/179145406.db2.gz KRFQBHVEGVBVED-CYBMUJFWSA-N 1 1 234.343 2.128 10 0 BEAEMO Cc1cccc(N[C@@H]2CC[N@H+](C)C2)c1C ZINC000061984687 179155286 /nfs/dbraw/zinc/15/52/86/179155286.db2.gz FYRMKZVERIAOMZ-GFCCVEGCSA-N 1 1 204.317 2.419 10 0 BEAEMO Cc1cccc(OCCCN2CCC([NH3+])CC2)c1 ZINC000020266875 179165048 /nfs/dbraw/zinc/16/50/48/179165048.db2.gz MTRQENKSGLMQQC-UHFFFAOYSA-N 1 1 248.370 2.187 10 0 BEAEMO Cc1cccc(OCC[N@H+](C)[C@@H]2CCC[C@@H]2O)c1 ZINC000352691301 179165938 /nfs/dbraw/zinc/16/59/38/179165938.db2.gz GCBBQBFGGOAMAH-CABCVRRESA-N 1 1 249.354 2.219 10 0 BEAEMO CCC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)OCC ZINC000592182386 347759536 /nfs/dbraw/zinc/75/95/36/347759536.db2.gz SLTIAPVEVYAXBR-LOWDOPEQSA-N 1 1 239.359 2.496 10 0 BEAEMO CCCC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)OC ZINC000592182806 347759822 /nfs/dbraw/zinc/75/98/22/347759822.db2.gz VNJAQGKLTUGBOG-LOWDOPEQSA-N 1 1 239.359 2.496 10 0 BEAEMO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCCC1 ZINC000043033255 179328681 /nfs/dbraw/zinc/32/86/81/179328681.db2.gz WAFPXFYLPSMKFY-TZMCWYRMSA-N 1 1 218.344 2.479 10 0 BEAEMO C(C[N@H+]1C[C@@H]2CCCCC[C@H]21)C1OCCO1 ZINC000368437832 187384720 /nfs/dbraw/zinc/38/47/20/187384720.db2.gz XCHBIBZUOKFMJT-NWDGAFQWSA-N 1 1 225.332 2.014 10 0 BEAEMO c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168596 348024922 /nfs/dbraw/zinc/02/49/22/348024922.db2.gz SCTRVPQBVADAOD-ZIAGYGMSSA-N 1 1 216.328 2.013 10 0 BEAEMO c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168596 348024924 /nfs/dbraw/zinc/02/49/24/348024924.db2.gz SCTRVPQBVADAOD-ZIAGYGMSSA-N 1 1 216.328 2.013 10 0 BEAEMO Cc1ccccc1[C@H](CN)[N@H+](C)C(C)C ZINC000022166293 179342751 /nfs/dbraw/zinc/34/27/51/179342751.db2.gz JGHCWMDVXYPIAR-ZDUSSCGKSA-N 1 1 206.333 2.335 10 0 BEAEMO Cc1ccccc1[C@H](C[NH3+])N(C)C(C)C ZINC000022166293 179342754 /nfs/dbraw/zinc/34/27/54/179342754.db2.gz JGHCWMDVXYPIAR-ZDUSSCGKSA-N 1 1 206.333 2.335 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000251321199 362862262 /nfs/dbraw/zinc/86/22/62/362862262.db2.gz VISPCPNFTUARIZ-OPRDCNLKSA-N 1 1 214.378 2.172 10 0 BEAEMO 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CCCC[C@H](N)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689444 169009358 /nfs/dbraw/zinc/00/93/58/169009358.db2.gz JJGIMHFNXHZNQU-JSGCOSHPSA-N 1 1 242.407 2.251 10 0 BEAEMO OC[C@@H](C=C(Cl)Cl)[NH+]1CCCCC1 ZINC000062721951 183103264 /nfs/dbraw/zinc/10/32/64/183103264.db2.gz OIQFCMQNAQXWIT-MRVPVSSYSA-N 1 1 224.131 2.152 10 0 BEAEMO OC[C@H]1CCCC[N@@H+](Cc2cccs2)C1 ZINC000377243305 183147291 /nfs/dbraw/zinc/14/72/91/183147291.db2.gz UUDKKNXWIDWANP-NSHDSACASA-N 1 1 225.357 2.343 10 0 BEAEMO OC[C@H]1CCCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000374054688 183147558 /nfs/dbraw/zinc/14/75/58/183147558.db2.gz ZRBZIEVYXWPYMQ-QWHCGFSZSA-N 1 1 209.333 2.190 10 0 BEAEMO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccco1)C(F)(F)F ZINC000121339348 183175658 /nfs/dbraw/zinc/17/56/58/183175658.db2.gz MYABMIOBLYXTDW-SCZZXKLOSA-N 1 1 249.232 2.340 10 0 BEAEMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccco1)C(F)(F)F ZINC000121339348 183175661 /nfs/dbraw/zinc/17/56/61/183175661.db2.gz MYABMIOBLYXTDW-SCZZXKLOSA-N 1 1 249.232 2.340 10 0 BEAEMO O[C@@H]1CCC2=C(C[N@H+](C3CCCCC3)C2)C1 ZINC000169343120 183187242 /nfs/dbraw/zinc/18/72/42/183187242.db2.gz JJCCLKZHOWCWKJ-CQSZACIVSA-N 1 1 221.344 2.476 10 0 BEAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCc2ccsc2C1 ZINC000270885115 183189049 /nfs/dbraw/zinc/18/90/49/183189049.db2.gz KPXVISRMERGSHH-NWDGAFQWSA-N 1 1 237.368 2.410 10 0 BEAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCc2ccccc2C1 ZINC000028232202 183189491 /nfs/dbraw/zinc/18/94/91/183189491.db2.gz TYFVIIFOPODLOW-LSDHHAIUSA-N 1 1 231.339 2.348 10 0 BEAEMO O[C@@H]1CCC[N@@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000336144741 183192139 /nfs/dbraw/zinc/19/21/39/183192139.db2.gz RBNWSEAZJRCMJY-GHMZBOCLSA-N 1 1 233.302 2.269 10 0 BEAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cccnc1)CC2 ZINC000019338998 183218347 /nfs/dbraw/zinc/21/83/47/183218347.db2.gz YLXVDEWNLHNDPV-HUUCEWRRSA-N 1 1 246.354 2.209 10 0 BEAEMO CCC[N@@H+](C)Cc1nc2sccc2c(N)n1 ZINC000050813178 169082021 /nfs/dbraw/zinc/08/20/21/169082021.db2.gz KOECKQWEONGMIP-UHFFFAOYSA-N 1 1 236.344 2.115 10 0 BEAEMO CCC[N@H+](C)[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596566 169086571 /nfs/dbraw/zinc/08/65/71/169086571.db2.gz ZKPWHNPUMUPDCA-ZDUSSCGKSA-N 1 1 236.359 2.345 10 0 BEAEMO CCC[N@@H+](C)[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596566 169086574 /nfs/dbraw/zinc/08/65/74/169086574.db2.gz ZKPWHNPUMUPDCA-ZDUSSCGKSA-N 1 1 236.359 2.345 10 0 BEAEMO CCC[N@H+](C)[C@H](CN)c1ccc(OC)cc1 ZINC000020225877 169087075 /nfs/dbraw/zinc/08/70/75/169087075.db2.gz UUHDGOHMSVLBSK-CYBMUJFWSA-N 1 1 222.332 2.037 10 0 BEAEMO CCC[N@@H+](C)[C@H](CN)c1ccc(OC)cc1 ZINC000020225877 169087077 /nfs/dbraw/zinc/08/70/77/169087077.db2.gz UUHDGOHMSVLBSK-CYBMUJFWSA-N 1 1 222.332 2.037 10 0 BEAEMO O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CC[C@H](C2CC2)C1 ZINC000371473120 183214340 /nfs/dbraw/zinc/21/43/40/183214340.db2.gz LIJHPGVAZOMOOV-NUEKZKHPSA-N 1 1 243.350 2.377 10 0 BEAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCCCF)CC2 ZINC000309352379 183217406 /nfs/dbraw/zinc/21/74/06/183217406.db2.gz XSPOFSYJWVZHKT-CHWSQXEVSA-N 1 1 229.339 2.363 10 0 BEAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccncc1)CC2 ZINC000019405217 183253006 /nfs/dbraw/zinc/25/30/06/183253006.db2.gz DFQPELNVIXKUCR-GJZGRUSLSA-N 1 1 246.354 2.209 10 0 BEAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccnc1)CC2 ZINC000019339003 183253019 /nfs/dbraw/zinc/25/30/19/183253019.db2.gz YLXVDEWNLHNDPV-CABCVRRESA-N 1 1 246.354 2.209 10 0 BEAEMO CCCN(CCC)C[C@H]([NH3+])CC(C)C ZINC000020072224 169148753 /nfs/dbraw/zinc/14/87/53/169148753.db2.gz ORNBJSRGPVXGEI-GFCCVEGCSA-N 1 1 200.370 2.482 10 0 BEAEMO Oc1ccc2c(c1)OC[C@@H]2[NH2+]Cc1ccccn1 ZINC000019957836 183281589 /nfs/dbraw/zinc/28/15/89/183281589.db2.gz NPLBSORIXMYRGE-ZDUSSCGKSA-N 1 1 242.278 2.011 10 0 BEAEMO CCC[N@@H+](C[C@H](N)CC(C)C)CC1CC1 ZINC000042491172 169138606 /nfs/dbraw/zinc/13/86/06/169138606.db2.gz KQTKIUKWZJOHSA-CYBMUJFWSA-N 1 1 212.381 2.482 10 0 BEAEMO CCCN(C[C@H]([NH3+])CC(C)C)CC1CC1 ZINC000042491172 169138607 /nfs/dbraw/zinc/13/86/07/169138607.db2.gz KQTKIUKWZJOHSA-CYBMUJFWSA-N 1 1 212.381 2.482 10 0 BEAEMO CCC[NH+](CCC)[C@H](CN)c1ccncc1 ZINC000032021423 169152733 /nfs/dbraw/zinc/15/27/33/169152733.db2.gz NTDMTUMWNSQCFW-CYBMUJFWSA-N 1 1 221.348 2.203 10 0 BEAEMO CCC[N@@H+](CCO)CCCC(=O)c1ccccc1 ZINC000049824755 169165344 /nfs/dbraw/zinc/16/53/44/169165344.db2.gz ISAVSKOVGUFMEH-UHFFFAOYSA-N 1 1 249.354 2.354 10 0 BEAEMO CCC[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105897409 169194649 /nfs/dbraw/zinc/19/46/49/169194649.db2.gz CSPQUIXMKWKXLX-GFCCVEGCSA-N 1 1 221.348 2.492 10 0 BEAEMO CCCN1CC[NH+]([C@@H](C)c2ccc(N)cc2)CC1 ZINC000048607927 169202730 /nfs/dbraw/zinc/20/27/30/169202730.db2.gz WWFBOGIMCFGXPN-ZDUSSCGKSA-N 1 1 247.386 2.357 10 0 BEAEMO CCC[N@H+]1CCO[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000029392107 169205895 /nfs/dbraw/zinc/20/58/95/169205895.db2.gz JCSREICEMHWFAY-CABCVRRESA-N 1 1 247.338 2.490 10 0 in-vitro BEAEMO c1ccc(CC[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408334 183392840 /nfs/dbraw/zinc/39/28/40/183392840.db2.gz OIBZNNHEOJJCBG-HNNXBMFYSA-N 1 1 244.382 2.303 10 0 BEAEMO c1ccc(CC[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408335 183393934 /nfs/dbraw/zinc/39/39/34/183393934.db2.gz OIBZNNHEOJJCBG-OAHLLOKOSA-N 1 1 244.382 2.303 10 0 BEAEMO CCC[NH2+]Cc1ccoc1CN(C)C1CC1 ZINC000052445271 169268479 /nfs/dbraw/zinc/26/84/79/169268479.db2.gz NNKSGFXHBAUQQF-UHFFFAOYSA-N 1 1 222.332 2.373 10 0 BEAEMO CCC[NH2+][C@@H](c1cn[nH]c1)c1nccn1CCC ZINC000062779850 169281088 /nfs/dbraw/zinc/28/10/88/169281088.db2.gz ARNKTTLZGSZDQI-LBPRGKRZSA-N 1 1 247.346 2.105 10 0 BEAEMO c1ccc2[nH]c(C[NH2+]Cc3ccncc3)nc2c1 ZINC000048435696 183434981 /nfs/dbraw/zinc/43/49/81/183434981.db2.gz PRORHNXJNDABHW-UHFFFAOYSA-N 1 1 238.294 2.248 10 0 BEAEMO CCCOc1cccc([C@@H](CN)[NH2+]C2CC2)c1 ZINC000052921295 169325882 /nfs/dbraw/zinc/32/58/82/169325882.db2.gz LRVYMEFATFMUQP-CQSZACIVSA-N 1 1 234.343 2.227 10 0 BEAEMO CCC[C@@H](C)C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000069610215 169360095 /nfs/dbraw/zinc/36/00/95/169360095.db2.gz UZWJGDUPJSTRLD-GHMZBOCLSA-N 1 1 215.337 2.210 10 0 BEAEMO CCN(c1[nH+]cccc1N)C1CCSCC1 ZINC000409434909 383839516 /nfs/dbraw/zinc/83/95/16/383839516.db2.gz RFVBCLGNAHEPAK-UHFFFAOYSA-N 1 1 237.372 2.386 10 0 BEAEMO [NH3+]CCc1c(C2CCC2)n[nH]c1C(F)(F)F ZINC000409437473 383848538 /nfs/dbraw/zinc/84/85/38/383848538.db2.gz GXXCGWVNUVCWFM-UHFFFAOYSA-N 1 1 233.237 2.197 10 0 BEAEMO Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[C@H]1O ZINC000089167090 383939963 /nfs/dbraw/zinc/93/99/63/383939963.db2.gz MPKXTTXHRGJOHB-ZWNOBZJWSA-N 1 1 245.326 2.146 10 0 BEAEMO [NH3+]CCc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000089195945 383940353 /nfs/dbraw/zinc/94/03/53/383940353.db2.gz ADZKUSFAISZWRX-UHFFFAOYSA-N 1 1 229.205 2.083 10 0 BEAEMO FC(F)(F)[C@@]1(c2ccccc2)C[NH2+]CCO1 ZINC000068576353 384000351 /nfs/dbraw/zinc/00/03/51/384000351.db2.gz KXTYEXKCDGYDSI-JTQLQIEISA-N 1 1 231.217 2.064 10 0 BEAEMO c1ncc(C[NH2+][C@@H]2COc3ccccc32)s1 ZINC000070068865 384075851 /nfs/dbraw/zinc/07/58/51/384075851.db2.gz OOAFFYNNCIYNFG-LLVKDONJSA-N 1 1 232.308 2.366 10 0 BEAEMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH2+]C3)cc1 ZINC000038343406 384081334 /nfs/dbraw/zinc/08/13/34/384081334.db2.gz WJNTXJZFBOWQPF-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO c1ccc(CN2[C@@H]3CC[C@H]2CC[NH2+]C3)cc1 ZINC000038343406 384081337 /nfs/dbraw/zinc/08/13/37/384081337.db2.gz WJNTXJZFBOWQPF-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CCNC3)cc1 ZINC000038343406 384081342 /nfs/dbraw/zinc/08/13/42/384081342.db2.gz WJNTXJZFBOWQPF-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CCNC3)cc1 ZINC000038343406 384081345 /nfs/dbraw/zinc/08/13/45/384081345.db2.gz WJNTXJZFBOWQPF-UONOGXRCSA-N 1 1 216.328 2.013 10 0 BEAEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000116318611 384128250 /nfs/dbraw/zinc/12/82/50/384128250.db2.gz JYQBFEOPZIVCEJ-AWEZNQCLSA-N 1 1 241.338 2.410 10 0 BEAEMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1CO ZINC000132240811 384222499 /nfs/dbraw/zinc/22/24/99/384222499.db2.gz LVGLSHAECRMYOL-DZGCQCFKSA-N 1 1 233.355 2.322 10 0 BEAEMO CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000119051400 384228757 /nfs/dbraw/zinc/22/87/57/384228757.db2.gz VTEZOINAAVABGD-ZDUSSCGKSA-N 1 1 246.354 2.073 10 0 BEAEMO C[C@H]1OCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000134572037 384368058 /nfs/dbraw/zinc/36/80/58/384368058.db2.gz YVLRTDKMKMHTNM-BDAKNGLRSA-N 1 1 217.272 2.152 10 0 BEAEMO COCOc1cnc(Cl)cc1/C=C/[NH+](C)C ZINC000095348350 384373026 /nfs/dbraw/zinc/37/30/26/384373026.db2.gz PMUBFQAKJVGUSE-SNAWJCMRSA-N 1 1 242.706 2.250 10 0 BEAEMO CC[N@@H+](CCc1nccs1)[C@@H](C)COC ZINC000121194306 384400921 /nfs/dbraw/zinc/40/09/21/384400921.db2.gz WNXIGOVJZSEHAK-JTQLQIEISA-N 1 1 228.361 2.042 10 0 BEAEMO CCSCCN(C)C[C@H]1CCC[N@H+]1CC ZINC000175343139 384424701 /nfs/dbraw/zinc/42/47/01/384424701.db2.gz AAJYAXWBYQMGLC-GFCCVEGCSA-N 1 1 230.421 2.156 10 0 BEAEMO CCSCC[N@H+](C)C[C@H]1CCCN1CC ZINC000175343139 384424707 /nfs/dbraw/zinc/42/47/07/384424707.db2.gz AAJYAXWBYQMGLC-GFCCVEGCSA-N 1 1 230.421 2.156 10 0 BEAEMO CCSCC[N@@H+](C)C[C@H]1CCCN1CC ZINC000175343139 384424713 /nfs/dbraw/zinc/42/47/13/384424713.db2.gz AAJYAXWBYQMGLC-GFCCVEGCSA-N 1 1 230.421 2.156 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000082699276 384438274 /nfs/dbraw/zinc/43/82/74/384438274.db2.gz DFGMFRKSFIJVLX-GHMZBOCLSA-N 1 1 240.347 2.090 10 0 BEAEMO CCCCCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000149031141 384473605 /nfs/dbraw/zinc/47/36/05/384473605.db2.gz RLUFBJYKBANSTN-UHFFFAOYSA-N 1 1 238.375 2.263 10 0 BEAEMO O=C([C@@H]1CC=CCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000149107244 384477509 /nfs/dbraw/zinc/47/75/09/384477509.db2.gz IQTPDJSDNFKSDP-CYBMUJFWSA-N 1 1 248.370 2.039 10 0 BEAEMO CC[C@](C)(O)C[N@@H+](C)CCOc1ccccc1 ZINC000123028149 384532103 /nfs/dbraw/zinc/53/21/03/384532103.db2.gz SNKCSRIMMWNJCE-AWEZNQCLSA-N 1 1 237.343 2.158 10 0 BEAEMO CCN(CC)CC[N@H+]1CCC[C@H]1C1CC1 ZINC000363472815 384585385 /nfs/dbraw/zinc/58/53/85/384585385.db2.gz UUSTZXDTZFOSFS-ZDUSSCGKSA-N 1 1 210.365 2.203 10 0 BEAEMO CCN(CC)CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000363472814 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346553705 /nfs/dbraw/zinc/55/37/05/346553705.db2.gz JAJQRVRWOIVLSF-TXEJJXNPSA-N 1 1 234.343 2.308 10 0 BEAEMO CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250507554 362807152 /nfs/dbraw/zinc/80/71/52/362807152.db2.gz ACSPJVMTHJDCIG-NEPJUHHUSA-N 1 1 209.333 2.476 10 0 BEAEMO N[C@@H](CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000114349137 347352192 /nfs/dbraw/zinc/35/21/92/347352192.db2.gz DPXXYMQUWQIWCM-ZDUSSCGKSA-N 1 1 249.314 2.081 10 0 BEAEMO Cc1cccc2cc(C(=O)[C@H](C)[NH3+])oc21 ZINC000082914556 179226814 /nfs/dbraw/zinc/22/68/14/179226814.db2.gz OIWOJKMNGMPTHP-QMMMGPOBSA-N 1 1 203.241 2.271 10 0 BEAEMO Cc1ccccc1CN(CCC(N)=[NH2+])C1CC1 ZINC000042547946 179271256 /nfs/dbraw/zinc/27/12/56/179271256.db2.gz CFLPNCSWSSMQDT-UHFFFAOYSA-N 1 1 231.343 2.285 10 0 BEAEMO C[C@@H]1CCC[N@@H+](CC[C@H]2CCC2=O)[C@@H]1C ZINC000669381550 537994549 /nfs/dbraw/zinc/99/45/49/537994549.db2.gz NYFNRVZHCZJONM-IJLUTSLNSA-N 1 1 209.333 2.476 10 0 BEAEMO C1CCC([N@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000120168212 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C[N@H+]1CC[C@@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984722 173126091 /nfs/dbraw/zinc/12/60/91/173126091.db2.gz GDECNLVXZWIBRO-SNVBAGLBSA-N 1 1 242.269 2.404 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000061984628 173126577 /nfs/dbraw/zinc/12/65/77/173126577.db2.gz WGIJJKCLLZFPQO-SECBINFHSA-N 1 1 212.243 2.081 10 0 BEAEMO CN1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000037646158 173147415 /nfs/dbraw/zinc/14/74/15/173147415.db2.gz PPJNBJFARYDRJT-IUODEOHRSA-N 1 1 230.355 2.215 10 0 BEAEMO CN1CC[C@H]([NH3+])[C@@H](Cc2cccc(Cl)c2)C1 ZINC000257624427 173149089 /nfs/dbraw/zinc/14/90/89/173149089.db2.gz BKXPARMUWPCNJD-AAEUAGOBSA-N 1 1 238.762 2.162 10 0 BEAEMO C[N@H+]1CCc2c(O)ccc3c2[C@@H](CCC3)C1 ZINC000027726627 173166569 /nfs/dbraw/zinc/16/65/69/173166569.db2.gz NZRACWPIOQVLQB-NSHDSACASA-N 1 1 217.312 2.300 10 0 BEAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC=C2c1cccnc1 ZINC000026178752 173205042 /nfs/dbraw/zinc/20/50/42/173205042.db2.gz MKVMJKIOMVPWCL-DGCLKSJQSA-N 1 1 200.285 2.332 10 0 BEAEMO 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COc1ccc([C@@H]2[C@@H](C[NH3+])CCCN2C)cc1C ZINC000070277745 175185965 /nfs/dbraw/zinc/18/59/65/175185965.db2.gz FMVFNQBTJYBHKJ-UKRRQHHQSA-N 1 1 248.370 2.345 10 0 BEAEMO COc1ccc([C@H]2C[N@H+](C(C)C)CCN2)cc1 ZINC000077369935 175195855 /nfs/dbraw/zinc/19/58/55/175195855.db2.gz ZMWMSZIGRQBQHB-CQSZACIVSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1ccc([C@H]2CN(C(C)C)CC[NH2+]2)cc1 ZINC000077369935 175195857 /nfs/dbraw/zinc/19/58/57/175195857.db2.gz ZMWMSZIGRQBQHB-CQSZACIVSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1ccc2c(c1)CC[C@H]([N@@H+](C)C(C)C)[C@H]2N ZINC000019385631 175210027 /nfs/dbraw/zinc/21/00/27/175210027.db2.gz POQGCXCGFLJTNV-GJZGRUSLSA-N 1 1 248.370 2.350 10 0 BEAEMO COc1cccc(C[N@@H+](C)CCC(C)=O)c1 ZINC000047979683 175255966 /nfs/dbraw/zinc/25/59/66/175255966.db2.gz FQRVJTQZFNQBQT-UHFFFAOYSA-N 1 1 221.300 2.106 10 0 BEAEMO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c1 ZINC000042229851 175255991 /nfs/dbraw/zinc/25/59/91/175255991.db2.gz PAUHBRVYNYUYEQ-KGLIPLIRSA-N 1 1 235.327 2.040 10 0 BEAEMO 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COc1cccc([C@@H]2CN(C(C)C)CC[NH2+]2)c1 ZINC000077369940 175291252 /nfs/dbraw/zinc/29/12/52/175291252.db2.gz JVGAJYDBWLHABG-AWEZNQCLSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1cccc([C@H](CN)[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000036783325 175293989 /nfs/dbraw/zinc/29/39/89/175293989.db2.gz QBLXGLNOIHHUEP-NHYWBVRUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1cccc([C@H](C[NH3+])N(C)[C@@H](C)C2CC2)c1 ZINC000036783325 175293990 /nfs/dbraw/zinc/29/39/90/175293990.db2.gz QBLXGLNOIHHUEP-NHYWBVRUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052762114 175327733 /nfs/dbraw/zinc/32/77/33/175327733.db2.gz HCQNDWNFTYKVDQ-AWEZNQCLSA-N 1 1 249.354 2.432 10 0 BEAEMO COc1ccccc1[C@@H]([C@@H](C)N)[NH+]1CCCC1 ZINC000043096602 175349182 /nfs/dbraw/zinc/34/91/82/175349182.db2.gz NDMSVXBADPAGEN-BXUZGUMPSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1ccccc1[C@H](N)C[N@@H+](C)CC(C)C ZINC000037108347 175353189 /nfs/dbraw/zinc/35/31/89/175353189.db2.gz FSSKDXJMNXOQOU-CYBMUJFWSA-N 1 1 236.359 2.283 10 0 BEAEMO C[C@@H](c1cccs1)N1CCC([NH3+])CC1 ZINC000026513919 176034564 /nfs/dbraw/zinc/03/45/64/176034564.db2.gz RRRDXJWBSOLIDD-VIFPVBQESA-N 1 1 210.346 2.232 10 0 BEAEMO C[C@@H](c1cccc(N)c1)[N@H+](C)CCN1CCCC1 ZINC000063050683 176018168 /nfs/dbraw/zinc/01/81/68/176018168.db2.gz ILBLNXALYSEDMQ-ZDUSSCGKSA-N 1 1 247.386 2.357 10 0 BEAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)CCN1CCCC1 ZINC000063050683 176018170 /nfs/dbraw/zinc/01/81/70/176018170.db2.gz ILBLNXALYSEDMQ-ZDUSSCGKSA-N 1 1 247.386 2.357 10 0 BEAEMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[C@@H]1C(=O)O2 ZINC000039120547 176021492 /nfs/dbraw/zinc/02/14/92/176021492.db2.gz WJAONTKZWYIENP-WCFLWFBJSA-N 1 1 231.295 2.137 10 0 BEAEMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H]2C[C@@H]1C(=O)O2 ZINC000039120547 176021494 /nfs/dbraw/zinc/02/14/94/176021494.db2.gz WJAONTKZWYIENP-WCFLWFBJSA-N 1 1 231.295 2.137 10 0 BEAEMO C[C@@H](c1ccccc1)N1CC[NH2+]C[C@@H](C)C1 ZINC000049661332 176022341 /nfs/dbraw/zinc/02/23/41/176022341.db2.gz HTXVCTKKWFBJTI-OLZOCXBDSA-N 1 1 218.344 2.289 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CCCN(C1CC1)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000037097253 169091403 /nfs/dbraw/zinc/09/14/03/169091403.db2.gz HQRFBNHKZYQCSF-GJZGRUSLSA-N 1 1 230.355 2.486 10 0 BEAEMO O[C@]1(C2CC2)CC[N@@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336265398 183250944 /nfs/dbraw/zinc/25/09/44/183250944.db2.gz QNBCFNHSLDZGCJ-NWDGAFQWSA-N 1 1 245.313 2.269 10 0 BEAEMO O[C@]1(c2ccc(F)cc2F)CC[N@H+](C2CC2)C1 ZINC000061987880 183251314 /nfs/dbraw/zinc/25/13/14/183251314.db2.gz ZVOYGMTYRKQWJT-CYBMUJFWSA-N 1 1 239.265 2.021 10 0 BEAEMO O[C@H]1CCCC[C@H]1[N@H+]1CCc2cccc(F)c2C1 ZINC000157954859 183232970 /nfs/dbraw/zinc/23/29/70/183232970.db2.gz AJBLDZCLBXEJJM-CABCVRRESA-N 1 1 249.329 2.487 10 0 BEAEMO O[C@H]1CCC[N@@H+](C[C@H]2Cc3ccccc32)CC1 ZINC000293129593 183233473 /nfs/dbraw/zinc/23/34/73/183233473.db2.gz MSFLIBBDGWVESB-KGLIPLIRSA-N 1 1 231.339 2.173 10 0 BEAEMO CCCN(CCC)C[C@H]([NH3+])[C@H](C)CC ZINC000020072236 169149000 /nfs/dbraw/zinc/14/90/00/169149000.db2.gz YJLWEGPFWMDFOF-NEPJUHHUSA-N 1 1 200.370 2.482 10 0 BEAEMO 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CCC[N@@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576484 169164937 /nfs/dbraw/zinc/16/49/37/169164937.db2.gz KGPJWNKYKUHRRH-ZDUSSCGKSA-N 1 1 219.328 2.031 10 0 BEAEMO CCCN1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000050368985 169189960 /nfs/dbraw/zinc/18/99/60/169189960.db2.gz VOOSSYBQRGGZPM-KBPBESRZSA-N 1 1 240.391 2.018 10 0 BEAEMO CCC[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885305 169194370 /nfs/dbraw/zinc/19/43/70/169194370.db2.gz QXCDKEPMHIOPCO-CYBMUJFWSA-N 1 1 236.363 2.017 10 0 BEAEMO CCC[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885302 169198488 /nfs/dbraw/zinc/19/84/88/169198488.db2.gz QXCDKEPMHIOPCO-ZDUSSCGKSA-N 1 1 236.363 2.017 10 0 BEAEMO CCC[N@H+]1CCO[C@H](c2ccc(O)cc2)C1 ZINC000028957455 169204133 /nfs/dbraw/zinc/20/41/33/169204133.db2.gz IZHCCKWRFAIIPH-ZDUSSCGKSA-N 1 1 221.300 2.176 10 0 BEAEMO CCCN1CC[C@H]([NH+]2CCCC2)[C@H](C)C1 ZINC000073654017 169208126 /nfs/dbraw/zinc/20/81/26/169208126.db2.gz LSFDYFLOEXRDQN-OLZOCXBDSA-N 1 1 210.365 2.203 10 0 BEAEMO CCC[N@H+]1CC[C@H](CNc2cc(C)c(C)nn2)C1 ZINC000302347007 169209112 /nfs/dbraw/zinc/20/91/12/169209112.db2.gz XMULBJUHVQBWPU-CYBMUJFWSA-N 1 1 248.374 2.237 10 0 BEAEMO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccncn1 ZINC000054788875 183352752 /nfs/dbraw/zinc/35/27/52/183352752.db2.gz VHVSVBANZIAJHT-GFCCVEGCSA-N 1 1 229.283 2.237 10 0 BEAEMO CCC[NH2+]C[C@H](C)CN(CC)C[C@@H]1CCCO1 ZINC000052510618 169263183 /nfs/dbraw/zinc/26/31/83/169263183.db2.gz MIQDHSPTNCBCET-KBPBESRZSA-N 1 1 242.407 2.123 10 0 BEAEMO CCC[NH2+]Cc1c[nH]c(-c2cc(C)ccn2)n1 ZINC000104429249 169265972 /nfs/dbraw/zinc/26/59/72/169265972.db2.gz SMLUIRXUWLQSLJ-UHFFFAOYSA-N 1 1 230.315 2.280 10 0 BEAEMO c1ccc(CCN2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012496 183393594 /nfs/dbraw/zinc/39/35/94/183393594.db2.gz LXEIXMWEIAAYIQ-HNNXBMFYSA-N 1 1 244.382 2.303 10 0 BEAEMO CCC[NH2+][C@H](c1cn[nH]c1)c1nccn1CCC ZINC000062779851 169290424 /nfs/dbraw/zinc/29/04/24/169290424.db2.gz ARNKTTLZGSZDQI-GFCCVEGCSA-N 1 1 247.346 2.105 10 0 BEAEMO CCCO[C@@H]1CCCN(C[C@@H](C)C[NH2+]CC)C1 ZINC000052371515 169312052 /nfs/dbraw/zinc/31/20/52/169312052.db2.gz IZYVLVVQXIHSTC-UONOGXRCSA-N 1 1 242.407 2.123 10 0 BEAEMO CCCO[C@H]1CCC[N@@H+]([C@@H](CN)C(C)(C)C)C1 ZINC000042421213 169313331 /nfs/dbraw/zinc/31/33/31/169313331.db2.gz WIYDMHZYVKKZKO-STQMWFEESA-N 1 1 242.407 2.251 10 0 BEAEMO CCCO[C@H]1CCC[N@H+]([C@@H](CN)C(C)(C)C)C1 ZINC000042421213 169313333 /nfs/dbraw/zinc/31/33/33/169313333.db2.gz WIYDMHZYVKKZKO-STQMWFEESA-N 1 1 242.407 2.251 10 0 BEAEMO CCC[NH2+][C@H]1CCN(CCCOCC)[C@H](C)C1 ZINC000049709351 169291989 /nfs/dbraw/zinc/29/19/89/169291989.db2.gz CYBQGQGIKMZQLS-KGLIPLIRSA-N 1 1 242.407 2.266 10 0 BEAEMO CCCOc1ccccc1CNCC[NH+](C)C ZINC000020967291 169326554 /nfs/dbraw/zinc/32/65/54/169326554.db2.gz UBONZPYZSJYLNA-UHFFFAOYSA-N 1 1 236.359 2.127 10 0 BEAEMO CCC[C@@H](C)[N@H+](C)Cc1nnc(C)n1CC ZINC000336682330 169365276 /nfs/dbraw/zinc/36/52/76/169365276.db2.gz RLGKCPSGTVVXPV-SNVBAGLBSA-N 1 1 224.352 2.227 10 0 BEAEMO CCC[C@@H](C)[N@@H+](C)Cc1nnc(C)n1CC ZINC000336682330 169365277 /nfs/dbraw/zinc/36/52/77/169365277.db2.gz RLGKCPSGTVVXPV-SNVBAGLBSA-N 1 1 224.352 2.227 10 0 BEAEMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1N ZINC000036789820 169364107 /nfs/dbraw/zinc/36/41/07/169364107.db2.gz FJRIUNGSXYSEAW-LLVKDONJSA-N 1 1 249.358 2.328 10 0 BEAEMO CCC[C@@H](C)c1[nH+]c(C(C)C)n(N)c1N ZINC000052839882 169374093 /nfs/dbraw/zinc/37/40/93/169374093.db2.gz XJJIMXDOOUEYHC-MRVPVSSYSA-N 1 1 210.325 2.206 10 0 BEAEMO Cc1cc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)cs1 ZINC000334733870 383857676 /nfs/dbraw/zinc/85/76/76/383857676.db2.gz ZVIMXQIDLQUTQF-BXKDBHETSA-N 1 1 225.357 2.259 10 0 BEAEMO C[NH2+][C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000050269832 383990253 /nfs/dbraw/zinc/99/02/53/383990253.db2.gz WVELHJDCINDLNR-VIFPVBQESA-N 1 1 219.115 2.213 10 0 BEAEMO CO[C@H](C[N@H+]1CCC[C@H](O)[C@H]1C)c1ccccc1 ZINC000296313994 384047121 /nfs/dbraw/zinc/04/71/21/384047121.db2.gz PXAWWJKHSWNMEW-VHDGCEQUSA-N 1 1 249.354 2.219 10 0 BEAEMO C[C@H]1CC2(CCC2)C[N@H+]1CC1(O)CCC1 ZINC000335886072 384079476 /nfs/dbraw/zinc/07/94/76/384079476.db2.gz XVBHOXHEDJNLDI-NSHDSACASA-N 1 1 209.333 2.166 10 0 BEAEMO Cc1n[nH]c2c1[C@@H]([NH3+])C[C@@H](c1ccccc1O)C2 ZINC000072415404 384103817 /nfs/dbraw/zinc/10/38/17/384103817.db2.gz YYVLOIDHCYNDKC-KOLCDFICSA-N 1 1 243.310 2.154 10 0 BEAEMO CC(C)=CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116312732 384128151 /nfs/dbraw/zinc/12/81/51/384128151.db2.gz WXOKVVOUVKAAFD-LBPRGKRZSA-N 1 1 219.332 2.176 10 0 BEAEMO CC[N@@H+](C[C@@H]1Cc2ccccc21)CC(C)(C)O ZINC000092981958 384205244 /nfs/dbraw/zinc/20/52/44/384205244.db2.gz DHJBNTSSJYVBEL-ZDUSSCGKSA-N 1 1 233.355 2.419 10 0 BEAEMO CC(C)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000082699254 384256719 /nfs/dbraw/zinc/25/67/19/384256719.db2.gz RNTWTLVUHAHMTF-QWHCGFSZSA-N 1 1 210.365 2.201 10 0 BEAEMO CC[C@](C)(O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000119398926 384266894 /nfs/dbraw/zinc/26/68/94/384266894.db2.gz FEOIESCLPUMDPC-ZDUSSCGKSA-N 1 1 225.307 2.419 10 0 BEAEMO CC[C@](C)(C[NH2+][C@H](C)c1ncc(C)o1)OC ZINC000319722466 384404988 /nfs/dbraw/zinc/40/49/88/384404988.db2.gz UTAKBRYJDVNJCQ-ZYHUDNBSSA-N 1 1 226.320 2.449 10 0 BEAEMO CC[C@@](C)(C[NH2+][C@@H](C)c1ncc(C)o1)OC ZINC000319722463 384406175 /nfs/dbraw/zinc/40/61/75/384406175.db2.gz UTAKBRYJDVNJCQ-JQWIXIFHSA-N 1 1 226.320 2.449 10 0 BEAEMO CCSCCN(C)C[C@@H]1CCC[N@H+]1CC ZINC000175343158 384425140 /nfs/dbraw/zinc/42/51/40/384425140.db2.gz AAJYAXWBYQMGLC-LBPRGKRZSA-N 1 1 230.421 2.156 10 0 BEAEMO CCSCC[N@H+](C)C[C@@H]1CCCN1CC ZINC000175343158 384425142 /nfs/dbraw/zinc/42/51/42/384425142.db2.gz AAJYAXWBYQMGLC-LBPRGKRZSA-N 1 1 230.421 2.156 10 0 BEAEMO CCSCC[N@@H+](C)C[C@@H]1CCCN1CC ZINC000175343158 384425146 /nfs/dbraw/zinc/42/51/46/384425146.db2.gz AAJYAXWBYQMGLC-LBPRGKRZSA-N 1 1 230.421 2.156 10 0 BEAEMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000120895611 384385641 /nfs/dbraw/zinc/38/56/41/384385641.db2.gz QGNFFFAOPIKKSO-JSGCOSHPSA-N 1 1 246.354 2.001 10 0 BEAEMO Cc1ccncc1CN[C@H](CC(C)C)C[NH+](C)C ZINC000135450649 384445103 /nfs/dbraw/zinc/44/51/03/384445103.db2.gz UPEBWIUHPYAUIX-OAHLLOKOSA-N 1 1 249.402 2.456 10 0 BEAEMO Cc1ccncc1CN[C@@H](CC(C)C)C[NH+](C)C ZINC000135450630 384446526 /nfs/dbraw/zinc/44/65/26/384446526.db2.gz UPEBWIUHPYAUIX-HNNXBMFYSA-N 1 1 249.402 2.456 10 0 BEAEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CC)C1 ZINC000181119363 384450183 /nfs/dbraw/zinc/45/01/83/384450183.db2.gz JJMCZALUEREYPX-RYUDHWBXSA-N 1 1 226.364 2.166 10 0 BEAEMO CC(C)(C)CC[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000136840172 384510663 /nfs/dbraw/zinc/51/06/63/384510663.db2.gz ZWLWKIMBIOMKAZ-SECBINFHSA-N 1 1 215.337 2.482 10 0 BEAEMO CC[NH+](CC)c1ccc(N2CC[C@H](CO)C2)cc1 ZINC000011736403 384535987 /nfs/dbraw/zinc/53/59/87/384535987.db2.gz MGZPLHNDNDDMAP-ZDUSSCGKSA-N 1 1 248.370 2.351 10 0 BEAEMO FCCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000137427716 384530925 /nfs/dbraw/zinc/53/09/25/384530925.db2.gz YMFFOERCHJEJHF-NSHDSACASA-N 1 1 211.284 2.296 10 0 BEAEMO C[N@H+]1C=C[C@@H](C[NH3+])C=C1Cc1ccccc1 ZINC000100271510 384631336 /nfs/dbraw/zinc/63/13/36/384631336.db2.gz SZRAFFVEQWNMNY-CYBMUJFWSA-N 1 1 214.312 2.147 10 0 BEAEMO C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1N ZINC000647539381 384677266 /nfs/dbraw/zinc/67/72/66/384677266.db2.gz YGCLMRWXCQXNEQ-OCCSQVGLSA-N 1 1 232.371 2.243 10 0 BEAEMO C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@@H]1N ZINC000647539381 384677272 /nfs/dbraw/zinc/67/72/72/384677272.db2.gz YGCLMRWXCQXNEQ-OCCSQVGLSA-N 1 1 232.371 2.243 10 0 BEAEMO OC1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000086778340 384683162 /nfs/dbraw/zinc/68/31/62/384683162.db2.gz WLZJMNSRIVIHNM-UHFFFAOYSA-N 1 1 226.707 2.450 10 0 BEAEMO CC[C@@H](C)[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000104688436 384702791 /nfs/dbraw/zinc/70/27/91/384702791.db2.gz ZZOMACHZRCTDLN-SECBINFHSA-N 1 1 222.336 2.152 10 0 BEAEMO CC[C@@H](C)[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000104688436 384702797 /nfs/dbraw/zinc/70/27/97/384702797.db2.gz ZZOMACHZRCTDLN-SECBINFHSA-N 1 1 222.336 2.152 10 0 BEAEMO 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MVHRREMUPQUICM-MDZLAQPJSA-N 1 1 238.400 2.409 10 0 BEAEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000151846335 167034026 /nfs/dbraw/zinc/03/40/26/167034026.db2.gz ZRIAZPDUBXZUCJ-YDHLFZDLSA-N 1 1 247.386 2.461 10 0 BEAEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000151846335 167034030 /nfs/dbraw/zinc/03/40/30/167034030.db2.gz ZRIAZPDUBXZUCJ-YDHLFZDLSA-N 1 1 247.386 2.461 10 0 BEAEMO CC(C)[NH2+]CC(C)(C)CN1CCCO[C@H](C)C1 ZINC000061934223 167098429 /nfs/dbraw/zinc/09/84/29/167098429.db2.gz AWHCTUOVCGANMA-CYBMUJFWSA-N 1 1 242.407 2.121 10 0 BEAEMO CC(C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000125556790 167119104 /nfs/dbraw/zinc/11/91/04/167119104.db2.gz KHAQFGDFOZPULQ-UHFFFAOYSA-N 1 1 224.323 2.385 10 0 BEAEMO CC(C)[NH2+][C@H](CN)c1ccccc1OC(F)F ZINC000050270918 167140540 /nfs/dbraw/zinc/14/05/40/167140540.db2.gz ZAOMPKDIPOPWHA-SNVBAGLBSA-N 1 1 244.285 2.286 10 0 BEAEMO CC(C)Nc1[nH+]cnc(NC(C)(C)C)c1N ZINC000040680422 167151900 /nfs/dbraw/zinc/15/19/00/167151900.db2.gz 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ZINC000054240411 173006088 /nfs/dbraw/zinc/00/60/88/173006088.db2.gz XLHHANCWYXLHKT-GFCCVEGCSA-N 1 1 220.316 2.288 10 0 BEAEMO C[N@H+]1CCCC[C@H]1CNc1cccc(N)c1 ZINC000044563746 173010476 /nfs/dbraw/zinc/01/04/76/173010476.db2.gz YNUPMPKQTZNCDU-ZDUSSCGKSA-N 1 1 219.332 2.165 10 0 BEAEMO C[N@H+]1CCCN(c2c(N)cccc2Cl)CC1 ZINC000020217465 173016740 /nfs/dbraw/zinc/01/67/40/173016740.db2.gz PGWLNJLUTMIJIY-UHFFFAOYSA-N 1 1 239.750 2.064 10 0 BEAEMO C[N@H+]1CCC[C@@H](n2ccc3cccnc32)C1 ZINC000090505001 173022365 /nfs/dbraw/zinc/02/23/65/173022365.db2.gz MFSOUDARVZQLKG-GFCCVEGCSA-N 1 1 215.300 2.303 10 0 BEAEMO C[N@H+]1CCC[C@@](C)(c2cccc(O)c2)C1 ZINC000027564289 173035452 /nfs/dbraw/zinc/03/54/52/173035452.db2.gz IBRMGIQKMQEATN-CYBMUJFWSA-N 1 1 205.301 2.376 10 0 BEAEMO C[N@H+]1CCC[C@H](CNc2ccc(O)cc2)C1 ZINC000054242467 173041263 /nfs/dbraw/zinc/04/12/63/173041263.db2.gz MEJAEJKXFRZSCM-LLVKDONJSA-N 1 1 220.316 2.146 10 0 BEAEMO C[N@H+]1CCC[C@H](CNc2ccccc2N)C1 ZINC000044535759 173041304 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ZINC000042961356 175181879 /nfs/dbraw/zinc/18/18/79/175181879.db2.gz VGMHVIJEUPNUDS-XHDPSFHLSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc([C@@H]([C@H](C)N)[N@@H+](C)CC2CC2)cc1 ZINC000042961356 175181881 /nfs/dbraw/zinc/18/18/81/175181881.db2.gz VGMHVIJEUPNUDS-XHDPSFHLSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1ccc2c(N)c3c([nH+]c2c1)CCCC3=O ZINC000034192533 175204974 /nfs/dbraw/zinc/20/49/74/175204974.db2.gz WMLMRDSLHWHTTP-UHFFFAOYSA-N 1 1 242.278 2.345 10 0 BEAEMO COc1ccc2c(c1)CC[C@H](N1CCCC1)[C@H]2[NH3+] ZINC000019394985 175210024 /nfs/dbraw/zinc/21/00/24/175210024.db2.gz OJMFIOXFHYFRTA-GJZGRUSLSA-N 1 1 246.354 2.106 10 0 BEAEMO COc1cccc(C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC000037911576 175242876 /nfs/dbraw/zinc/24/28/76/175242876.db2.gz XPYYEWHNUADJPR-LLVKDONJSA-N 1 1 233.311 2.362 10 0 BEAEMO COc1cccc(C(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC000037911576 175242877 /nfs/dbraw/zinc/24/28/77/175242877.db2.gz XPYYEWHNUADJPR-LLVKDONJSA-N 1 1 233.311 2.362 10 0 BEAEMO COc1cccc(C[N@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000077657890 175261415 /nfs/dbraw/zinc/26/14/15/175261415.db2.gz PPJYGCRFUCZLTA-TXEJJXNPSA-N 1 1 235.327 2.304 10 0 BEAEMO COc1cccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)c1 ZINC000077657890 175261417 /nfs/dbraw/zinc/26/14/17/175261417.db2.gz PPJYGCRFUCZLTA-TXEJJXNPSA-N 1 1 235.327 2.304 10 0 BEAEMO COc1cccc([C@@H](N)C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785176 175288512 /nfs/dbraw/zinc/28/85/12/175288512.db2.gz ZGYMJPDWWRJSLK-NHYWBVRUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1cccc([C@@H]([NH3+])CN(C)[C@@H](C)C2CC2)c1 ZINC000036785176 175288513 /nfs/dbraw/zinc/28/85/13/175288513.db2.gz ZGYMJPDWWRJSLK-NHYWBVRUSA-N 1 1 248.370 2.425 10 0 BEAEMO COc1cccc([C@H](N)C[NH+]2CCCCC2)c1 ZINC000019821400 175293944 /nfs/dbraw/zinc/29/39/44/175293944.db2.gz RFPXTMTXNWXLFQ-CQSZACIVSA-N 1 1 234.343 2.181 10 0 BEAEMO COc1cccc([C@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000119100136 175295891 /nfs/dbraw/zinc/29/58/91/175295891.db2.gz DDSRVXRNHIARDU-OAHLLOKOSA-N 1 1 247.338 2.479 10 0 BEAEMO COc1cccc([C@H]2C[N@@H+](CC3CC3)CCO2)c1 ZINC000119100136 175295892 /nfs/dbraw/zinc/29/58/92/175295892.db2.gz DDSRVXRNHIARDU-OAHLLOKOSA-N 1 1 247.338 2.479 10 0 BEAEMO COc1cccc([C@H]([C@@H](C)N)[NH+]2CCCC2)c1 ZINC000043025407 175296007 /nfs/dbraw/zinc/29/60/07/175296007.db2.gz NUYDEGMHCVTPIO-RISCZKNCSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1ccccc1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC000037911575 175316585 /nfs/dbraw/zinc/31/65/85/175316585.db2.gz POHKLMIBMXRRFN-NSHDSACASA-N 1 1 233.311 2.362 10 0 BEAEMO COc1ccccc1C(=O)C[N@H+]1CCC[C@@H]1C ZINC000037911575 175316586 /nfs/dbraw/zinc/31/65/86/175316586.db2.gz POHKLMIBMXRRFN-NSHDSACASA-N 1 1 233.311 2.362 10 0 BEAEMO C[C@@H](CCc1ccco1)N1CCC[NH2+]CCC1 ZINC000049667790 175686704 /nfs/dbraw/zinc/68/67/04/175686704.db2.gz KVSKFVHKIGXHEH-ZDUSSCGKSA-N 1 1 236.359 2.286 10 0 BEAEMO C[C@@H](c1cccc(N)c1)[N@H+](C)Cc1nccn1C ZINC000062247137 176017955 /nfs/dbraw/zinc/01/79/55/176017955.db2.gz IRQGHMLJVLKVJE-NSHDSACASA-N 1 1 244.342 2.195 10 0 BEAEMO C[C@@H](c1cccc(N)c1)[N@@H+](C)Cc1nccn1C ZINC000062247137 176017957 /nfs/dbraw/zinc/01/79/57/176017957.db2.gz IRQGHMLJVLKVJE-NSHDSACASA-N 1 1 244.342 2.195 10 0 BEAEMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[C@H]1C(=O)O2 ZINC000034506184 176022271 /nfs/dbraw/zinc/02/22/71/176022271.db2.gz WJAONTKZWYIENP-UHTWSYAYSA-N 1 1 231.295 2.137 10 0 BEAEMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2C[C@H]1C(=O)O2 ZINC000034506184 176022272 /nfs/dbraw/zinc/02/22/72/176022272.db2.gz WJAONTKZWYIENP-UHTWSYAYSA-N 1 1 231.295 2.137 10 0 BEAEMO C[C@@H](c1cccs1)[N@H+]1CCC[C@H](O)C1 ZINC000095089049 176033985 /nfs/dbraw/zinc/03/39/85/176033985.db2.gz JEOARMHSRANYEO-UWVGGRQHSA-N 1 1 211.330 2.266 10 0 BEAEMO C[C@@H](c1cccs1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089037 176034414 /nfs/dbraw/zinc/03/44/14/176034414.db2.gz JEOARMHSRANYEO-VHSXEESVSA-N 1 1 211.330 2.266 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc(N)c1 ZINC000041139640 176074198 /nfs/dbraw/zinc/07/41/98/176074198.db2.gz UPCZDSFVBPHJOR-RISCZKNCSA-N 1 1 234.343 2.177 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1[C@H](CN)Cc1ccccc1 ZINC000036879204 176075302 /nfs/dbraw/zinc/07/53/02/176075302.db2.gz LEZZPDOSFNLFSN-HIFRSBDPSA-N 1 1 232.371 2.431 10 0 BEAEMO C[C@@H]1CCCCN1[C@H](C[NH3+])Cc1ccccc1 ZINC000036879204 176075303 /nfs/dbraw/zinc/07/53/03/176075303.db2.gz LEZZPDOSFNLFSN-HIFRSBDPSA-N 1 1 232.371 2.431 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1[C@]1(CN)CCCSC1 ZINC000061589836 176075837 /nfs/dbraw/zinc/07/58/37/176075837.db2.gz FBANBKBHFFZLAP-NEPJUHHUSA-N 1 1 228.405 2.085 10 0 BEAEMO C[C@@H]1CCCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061589836 176075839 /nfs/dbraw/zinc/07/58/39/176075839.db2.gz FBANBKBHFFZLAP-NEPJUHHUSA-N 1 1 228.405 2.085 10 0 BEAEMO C[C@@H]1CCC[N@@H+](C[C@H](N)c2ccccc2)C1 ZINC000036879453 176099681 /nfs/dbraw/zinc/09/96/81/176099681.db2.gz YMKNPGROUHWQOQ-OCCSQVGLSA-N 1 1 218.344 2.418 10 0 BEAEMO C[C@@H]1CCCN(C[C@H]([NH3+])c2ccccc2)C1 ZINC000036879453 176099682 /nfs/dbraw/zinc/09/96/82/176099682.db2.gz YMKNPGROUHWQOQ-OCCSQVGLSA-N 1 1 218.344 2.418 10 0 BEAEMO C[C@@H]1CCN(C)CC[N@H+]1CC1(C)CCC1 ZINC000336138170 176166206 /nfs/dbraw/zinc/16/62/06/176166206.db2.gz FBRLXMNIFGIXMP-GFCCVEGCSA-N 1 1 210.365 2.203 10 0 BEAEMO C[C@@H]1CC[N@H+](C2(C)CCCCC2)CCN1 ZINC000045046690 176166952 /nfs/dbraw/zinc/16/69/52/176166952.db2.gz SNFMHMRMCCDLTH-GFCCVEGCSA-N 1 1 210.365 2.393 10 0 BEAEMO C[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](CN)C1 ZINC000224844257 176168667 /nfs/dbraw/zinc/16/86/67/176168667.db2.gz FNGZXSRZGZLRFZ-DGCLKSJQSA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@@H]1CC[N@@H+](C[C@](C)(N)c2ccccc2)C1 ZINC000052883414 176173468 /nfs/dbraw/zinc/17/34/68/176173468.db2.gz ISEYZUOKPGKVBE-OCCSQVGLSA-N 1 1 218.344 2.202 10 0 BEAEMO C[C@@H]1CCN(C[C@](C)([NH3+])c2ccccc2)C1 ZINC000052883414 176173469 /nfs/dbraw/zinc/17/34/69/176173469.db2.gz ISEYZUOKPGKVBE-OCCSQVGLSA-N 1 1 218.344 2.202 10 0 BEAEMO C[C@@H]1CCN(Cc2ccccc2)CCC[NH2+]1 ZINC000049664189 176176604 /nfs/dbraw/zinc/17/66/04/176176604.db2.gz UPEMOVGXUYJDBR-CYBMUJFWSA-N 1 1 218.344 2.261 10 0 BEAEMO C[C@@H]1CC[N@@H+](Cc2ccoc2CN)[C@H](C)C1 ZINC000052510017 176178460 /nfs/dbraw/zinc/17/84/60/176178460.db2.gz BYRAVZDZCLJHLC-GHMZBOCLSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(C)(C)C ZINC000112697702 176196283 /nfs/dbraw/zinc/19/62/83/176196283.db2.gz WAOKBQYAGBDMQS-GHMZBOCLSA-N 1 1 226.364 2.008 10 0 BEAEMO C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cccc(F)c1 ZINC000044412931 176223664 /nfs/dbraw/zinc/22/36/64/176223664.db2.gz XIPMFJXMWYKXRY-DGCLKSJQSA-N 1 1 236.334 2.385 10 0 BEAEMO C[C@@H]1CC[C@H](O)[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000053883662 176235319 /nfs/dbraw/zinc/23/53/19/176235319.db2.gz DJJZUPHUSLLLNI-SNPRPXQTSA-N 1 1 248.370 2.311 10 0 BEAEMO C[C@H]1C[N@@H+](CC(=O)c2ccccc2)C[C@H]1C ZINC000039109876 176284570 /nfs/dbraw/zinc/28/45/70/176284570.db2.gz GRSOHFFQZNBUTE-TXEJJXNPSA-N 1 1 217.312 2.457 10 0 BEAEMO C[C@@H]1C[N@@H+](CCC2(O)CC2)CC(C)(C)C1 ZINC000335714960 176285811 /nfs/dbraw/zinc/28/58/11/176285811.db2.gz HDGRHAXOGWBAEL-NSHDSACASA-N 1 1 211.349 2.269 10 0 BEAEMO C[C@@H]1CNC(C)(C)C[N@@H+]1CCc1ccccc1 ZINC000041260060 176324084 /nfs/dbraw/zinc/32/40/84/176324084.db2.gz GUPJHQVLSOBFPU-CYBMUJFWSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@@H]1CNC(C)(C)C[N@H+]1CCc1ccccc1 ZINC000041260060 176324086 /nfs/dbraw/zinc/32/40/86/176324086.db2.gz GUPJHQVLSOBFPU-CYBMUJFWSA-N 1 1 232.371 2.301 10 0 BEAEMO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2cccnc2)C1 ZINC000019261410 176361234 /nfs/dbraw/zinc/36/12/34/176361234.db2.gz JPQSIQUAQMFLSO-BZPMIXESSA-N 1 1 233.359 2.059 10 0 BEAEMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN)o2)C1 ZINC000052420642 176361708 /nfs/dbraw/zinc/36/17/08/176361708.db2.gz JSSMRNACWYUQKE-GHMZBOCLSA-N 1 1 222.332 2.216 10 0 BEAEMO C[C@@H](Nc1cc[nH+]cc1Br)[C@H](C)O ZINC000306525783 177004803 /nfs/dbraw/zinc/00/48/03/177004803.db2.gz RIRZVTHMASDRTG-RQJHMYQMSA-N 1 1 245.120 2.025 10 0 BEAEMO C[C@H](O)c1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071189661 177017347 /nfs/dbraw/zinc/01/73/47/177017347.db2.gz RPIJBWPKHDAOBC-QWHCGFSZSA-N 1 1 248.370 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2.480 10 0 BEAEMO C[C@H]1CCCN([C@@H](C[NH3+])c2cccs2)C1 ZINC000022213927 177103423 /nfs/dbraw/zinc/10/34/23/177103423.db2.gz CIMDKKWFQPJLLL-QWRGUYRKSA-N 1 1 224.373 2.480 10 0 BEAEMO C[C@H]1CCC[N@H+]1CCc1ccccc1N ZINC000052918413 177108657 /nfs/dbraw/zinc/10/86/57/177108657.db2.gz TWGNBQVWFOSPNS-NSHDSACASA-N 1 1 204.317 2.296 10 0 BEAEMO C[C@H]1CCC[N@H+]1C[C@@](C)(CO)c1ccccc1 ZINC000051291330 177108981 /nfs/dbraw/zinc/10/89/81/177108981.db2.gz URHZKDJLIHBINM-ZFWWWQNUSA-N 1 1 233.355 2.421 10 0 BEAEMO C[C@H]1CC[N@H+](C2CCCCCC2)CCN1 ZINC000049661878 177157755 /nfs/dbraw/zinc/15/77/55/177157755.db2.gz WGEUOLJARQZQQD-LBPRGKRZSA-N 1 1 210.365 2.393 10 0 BEAEMO C[C@H]1CC[N@H+](CC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040717083 177158648 /nfs/dbraw/zinc/15/86/48/177158648.db2.gz PFBBWTUNHBOOLK-NSHDSACASA-N 1 1 245.322 2.146 10 0 BEAEMO C[C@H]1CC[N@@H+](CC(=O)c2ccc3c(c2)CCO3)C1 ZINC000040717083 177158649 /nfs/dbraw/zinc/15/86/49/177158649.db2.gz PFBBWTUNHBOOLK-NSHDSACASA-N 1 1 245.322 2.146 10 0 BEAEMO C[C@H]1CC[N@@H+](CCNc2ccccc2)C1 ZINC000040725367 177160319 /nfs/dbraw/zinc/16/03/19/177160319.db2.gz BJICTFMWDFQSET-LBPRGKRZSA-N 1 1 204.317 2.440 10 0 BEAEMO C[C@@H]1CCN(CCc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049667376 177161595 /nfs/dbraw/zinc/16/15/95/177161595.db2.gz MWECQUJMWFOPOW-BETUJISGSA-N 1 1 236.359 2.285 10 0 BEAEMO C[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](CN)C1 ZINC000229324421 177164747 /nfs/dbraw/zinc/16/47/47/177164747.db2.gz MRPBFWSFSJAPRS-GXTWGEPZSA-N 1 1 218.344 2.246 10 0 BEAEMO C[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](CN)C1 ZINC000229324421 177164749 /nfs/dbraw/zinc/16/47/49/177164749.db2.gz MRPBFWSFSJAPRS-GXTWGEPZSA-N 1 1 218.344 2.246 10 0 BEAEMO C[C@H]1CC[C@@H](N)C[N@@H+]1CCc1ccccc1 ZINC000040740168 177191314 /nfs/dbraw/zinc/19/13/14/177191314.db2.gz MVOVJUUIDPNHMW-GXTWGEPZSA-N 1 1 218.344 2.041 10 0 BEAEMO C[C@H]1CC[C@@H](N)C[N@H+]1CCc1ccccc1 ZINC000040740168 177191316 /nfs/dbraw/zinc/19/13/16/177191316.db2.gz MVOVJUUIDPNHMW-GXTWGEPZSA-N 1 1 218.344 2.041 10 0 BEAEMO C[C@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)CCN1 ZINC000083361656 177240137 /nfs/dbraw/zinc/24/01/37/177240137.db2.gz WRJFRQFQMVXGAM-DYQPHDICSA-N 1 1 234.387 2.249 10 0 BEAEMO C[C@H]1C[N@@H+](C2CCCCC2)C(C)(C)CN1 ZINC000062570346 177242224 /nfs/dbraw/zinc/24/22/24/177242224.db2.gz QBUZAVWNLBPPHB-NSHDSACASA-N 1 1 210.365 2.391 10 0 BEAEMO C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc32)CCC1=O ZINC000090992917 177258091 /nfs/dbraw/zinc/25/80/91/177258091.db2.gz SNAVTYDAIZRQPY-AAEUAGOBSA-N 1 1 229.323 2.237 10 0 BEAEMO C[C@@H]1C[N@@H+](Cc2ccc(N)c(F)c2)C[C@H](C)O1 ZINC000063011158 177263881 /nfs/dbraw/zinc/26/38/81/177263881.db2.gz SIJHJSYAHSURFP-AOOOYVTPSA-N 1 1 238.306 2.017 10 0 BEAEMO C[C@@H]1C[N@H+](Cc2ccc(N)c(F)c2)C[C@H](C)O1 ZINC000063011158 177263883 /nfs/dbraw/zinc/26/38/83/177263883.db2.gz SIJHJSYAHSURFP-AOOOYVTPSA-N 1 1 238.306 2.017 10 0 BEAEMO C[C@H]1C[N@@H+](Cc2cccc3nccn32)CCS1 ZINC000180041382 177265009 /nfs/dbraw/zinc/26/50/09/177265009.db2.gz ARWDLLMJKPGUNA-NSHDSACASA-N 1 1 247.367 2.272 10 0 BEAEMO C[C@H]1C[N@H+](Cc2cn3ccccc3n2)CCS1 ZINC000171691804 177269460 /nfs/dbraw/zinc/26/94/60/177269460.db2.gz SQAVQTITJBYAOD-NSHDSACASA-N 1 1 247.367 2.272 10 0 BEAEMO C[C@H]1C[N@@H+](Cc2cn3ccccc3n2)CCS1 ZINC000171691804 177269461 /nfs/dbraw/zinc/26/94/61/177269461.db2.gz SQAVQTITJBYAOD-NSHDSACASA-N 1 1 247.367 2.272 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1 ZINC000083550969 177280558 /nfs/dbraw/zinc/28/05/58/177280558.db2.gz ISEDLVKAXBTSJT-DZGCQCFKSA-N 1 1 230.355 2.355 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(C)(F)F ZINC000336508075 177281080 /nfs/dbraw/zinc/28/10/80/177281080.db2.gz JNWDSGZHZCSRPZ-WDEREUQCSA-N 1 1 232.318 2.200 10 0 BEAEMO C[C@@H](c1ccncc1)N1CCC[NH2+]C[C@H](C)C1 ZINC000049666709 177281504 /nfs/dbraw/zinc/28/15/04/177281504.db2.gz ONQYRGBFQDRVAZ-STQMWFEESA-N 1 1 233.359 2.074 10 0 BEAEMO C[C@@H](c1ccccc1)N1CC[NH2+]C[C@H](C)C1 ZINC000049661335 177282539 /nfs/dbraw/zinc/28/25/39/177282539.db2.gz HTXVCTKKWFBJTI-STQMWFEESA-N 1 1 218.344 2.289 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@@H+](C2(CN)CCCC2)C1 ZINC000019433480 177312361 /nfs/dbraw/zinc/31/23/61/177312361.db2.gz BPRNPKIVYQYIKB-TXEJJXNPSA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(N)c2)C1 ZINC000037272579 177314646 /nfs/dbraw/zinc/31/46/46/177314646.db2.gz BCVCZBKCKWMNDX-PHIMTYICSA-N 1 1 234.343 2.452 10 0 BEAEMO C[C@H]1C[C@@H]([NH3+])CCN1CCc1ccccc1F ZINC000049708315 177327437 /nfs/dbraw/zinc/32/74/37/177327437.db2.gz URUTYXYLXYJVLC-AAEUAGOBSA-N 1 1 236.334 2.180 10 0 BEAEMO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2ccncc2)C1 ZINC000032021673 177358607 /nfs/dbraw/zinc/35/86/07/177358607.db2.gz YUWLNNQEMAPTNM-OBJOEFQTSA-N 1 1 233.359 2.059 10 0 BEAEMO C[C@H]1C[C@H](N(C)C(=O)C2CCCC2)CC[N@H+]1C ZINC000123694342 177363910 /nfs/dbraw/zinc/36/39/10/177363910.db2.gz GJZOCIPZHDGIPC-WCQYABFASA-N 1 1 238.375 2.118 10 0 BEAEMO C[C@H]1C[C@H]1C[N@@H+](C)C1(CN)Cc2ccccc2C1 ZINC000104408198 177378806 /nfs/dbraw/zinc/37/88/06/177378806.db2.gz PTMLJWMOLGQTAH-WFASDCNBSA-N 1 1 244.382 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CC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000253130763 644939105 /nfs/dbraw/zinc/93/91/05/644939105.db2.gz VXKVVNDRMISVSW-QWHCGFSZSA-N 1 1 239.359 2.245 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCOC1CCCCC1 ZINC000701327897 712020264 /nfs/dbraw/zinc/02/02/64/712020264.db2.gz XDNXHJBFDYPBOB-STQMWFEESA-N 1 1 241.375 2.181 10 0 BEAEMO CC(C)(O)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708977144 712205197 /nfs/dbraw/zinc/20/51/97/712205197.db2.gz ZXPICPWVOCBOGL-SECBINFHSA-N 1 1 225.254 2.032 10 0 BEAEMO COC[C@@H](C[N@H+]1CCC[C@H]1CCCO)C(C)C ZINC000721968111 710695429 /nfs/dbraw/zinc/69/54/29/710695429.db2.gz RJBYURNKUOGNRM-KGLIPLIRSA-N 1 1 243.391 2.142 10 0 BEAEMO C[C@H](CCN(C)C)[NH2+]CCc1ccccc1 ZINC000049551894 711448893 /nfs/dbraw/zinc/44/88/93/711448893.db2.gz ZTYDGSZZTHVAGI-CYBMUJFWSA-N 1 1 220.360 2.159 10 0 BEAEMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723619396 711526792 /nfs/dbraw/zinc/52/67/92/711526792.db2.gz HUWOQNWNOPAHSK-AWEZNQCLSA-N 1 1 246.354 2.499 10 0 BEAEMO Cc1cc(C)nc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000723842906 711538704 /nfs/dbraw/zinc/53/87/04/711538704.db2.gz UNIWCCWBCOTCHW-GXTWGEPZSA-N 1 1 234.343 2.044 10 0 BEAEMO Cc1cnc(C[NH2+][C@@H](C)c2ccnn2C)c(C)c1 ZINC000724059453 711558369 /nfs/dbraw/zinc/55/83/69/711558369.db2.gz XMEYJRXBHRQFNT-LBPRGKRZSA-N 1 1 244.342 2.283 10 0 BEAEMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000724190000 711567958 /nfs/dbraw/zinc/56/79/58/711567958.db2.gz WGZHDJVRVPRDEK-RRFJBIMHSA-N 1 1 249.354 2.003 10 0 BEAEMO CCCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)CN ZINC000708942251 712203069 /nfs/dbraw/zinc/20/30/69/712203069.db2.gz BMLCGBXDVQGCGU-QWHCGFSZSA-N 1 1 228.380 2.005 10 0 BEAEMO CCCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)CN ZINC000708942251 712203070 /nfs/dbraw/zinc/20/30/70/712203070.db2.gz BMLCGBXDVQGCGU-QWHCGFSZSA-N 1 1 228.380 2.005 10 0 BEAEMO CCCCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708942251 712203071 /nfs/dbraw/zinc/20/30/71/712203071.db2.gz BMLCGBXDVQGCGU-QWHCGFSZSA-N 1 1 228.380 2.005 10 0 BEAEMO C=C/C=C/CCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000713742869 712471112 /nfs/dbraw/zinc/47/11/12/712471112.db2.gz COWNLAIEWBTRFG-XGACYXMMSA-N 1 1 220.360 2.289 10 0 BEAEMO C=C/C=C/CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000713742869 712471114 /nfs/dbraw/zinc/47/11/14/712471114.db2.gz COWNLAIEWBTRFG-XGACYXMMSA-N 1 1 220.360 2.289 10 0 BEAEMO C=C/C=C/CC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000713742869 712471115 /nfs/dbraw/zinc/47/11/15/712471115.db2.gz COWNLAIEWBTRFG-XGACYXMMSA-N 1 1 220.360 2.289 10 0 BEAEMO Cc1[nH+]c(N)ccc1-c1cnn(C)c1C(F)F ZINC000714729158 712496928 /nfs/dbraw/zinc/49/69/28/712496928.db2.gz YXDUNRNCUANREN-UHFFFAOYSA-N 1 1 238.241 2.310 10 0 BEAEMO Oc1cccc2c1CC[C@@H]2NCC[NH+]1CCCC1 ZINC000036852340 712502447 /nfs/dbraw/zinc/50/24/47/712502447.db2.gz SGOLBOVYHMHNBN-AWEZNQCLSA-N 1 1 246.354 2.065 10 0 BEAEMO Oc1cccc2c1CC[C@H]2NCC[NH+]1CCCC1 ZINC000036852342 712502626 /nfs/dbraw/zinc/50/26/26/712502626.db2.gz SGOLBOVYHMHNBN-CQSZACIVSA-N 1 1 246.354 2.065 10 0 BEAEMO Cc1ccnc(NC[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000717008081 712604269 /nfs/dbraw/zinc/60/42/69/712604269.db2.gz BHNPRIOGBRYNHW-JTQLQIEISA-N 1 1 241.285 2.047 10 0 BEAEMO Cc1cccc(NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000717016965 712604678 /nfs/dbraw/zinc/60/46/78/712604678.db2.gz XFASWNCQNRWSFF-SNVBAGLBSA-N 1 1 241.285 2.047 10 0 BEAEMO CC(C)C[C@@H]([NH3+])c1nc(Cc2ccccn2)no1 ZINC000019233358 712625573 /nfs/dbraw/zinc/62/55/73/712625573.db2.gz SKANYBGYWVNEFF-LLVKDONJSA-N 1 1 246.314 2.101 10 0 BEAEMO C[NH2+]Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000380157990 712701826 /nfs/dbraw/zinc/70/18/26/712701826.db2.gz KHIORFDVHDNZPF-UHFFFAOYSA-N 1 1 235.331 2.473 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCCC(C)(F)F ZINC000718686605 712777408 /nfs/dbraw/zinc/77/74/08/712777408.db2.gz IAGVCMDBXFOCBJ-ZJUUUORDSA-N 1 1 221.291 2.267 10 0 BEAEMO CC(C)[C@@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978320 712790953 /nfs/dbraw/zinc/79/09/53/712790953.db2.gz CGIDTYBBXKGKSM-VXGBXAGGSA-N 1 1 227.348 2.116 10 0 BEAEMO CC(C)c1nccnc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719780525 712824494 /nfs/dbraw/zinc/82/44/94/712824494.db2.gz GVWWHDQUAIYMII-MNOVXSKESA-N 1 1 234.347 2.105 10 0 BEAEMO CC(C)c1nccnc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719780523 712824572 /nfs/dbraw/zinc/82/45/72/712824572.db2.gz GVWWHDQUAIYMII-GHMZBOCLSA-N 1 1 234.347 2.105 10 0 BEAEMO Cc1cccc(C[NH2+][C@H](C)c2cn(C)nn2)c1C ZINC000720598063 712855058 /nfs/dbraw/zinc/85/50/58/712855058.db2.gz YRRYUMDQNSFYBF-GFCCVEGCSA-N 1 1 244.342 2.283 10 0 BEAEMO C[N@H+](Cc1ccnc(Cl)c1)C[C@H]1CCCO1 ZINC000051924519 959757624 /nfs/dbraw/zinc/75/76/24/959757624.db2.gz KTANDWNBQMPUMX-LLVKDONJSA-N 1 1 240.734 2.346 10 0 BEAEMO Cc1ccccc1[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117179 985241046 /nfs/dbraw/zinc/24/10/46/985241046.db2.gz AMXSWCZPXBVVIO-VNHYZAJKSA-N 1 1 249.354 2.138 10 0 BEAEMO COC(=O)[C@@H](CC(C)C)[NH2+]C1CCCC1 ZINC000036980314 1170923416 /nfs/dbraw/zinc/92/34/16/1170923416.db2.gz LBBJARMYZPFAHO-LLVKDONJSA-N 1 1 213.321 2.106 10 0 BEAEMO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)C1(C)CC1 ZINC000037508293 1170953922 /nfs/dbraw/zinc/95/39/22/1170953922.db2.gz ITYXJLXUWUHNOM-GHMZBOCLSA-N 1 1 227.348 2.352 10 0 BEAEMO C[C@H](NC[C@@H]1CCCC[N@@H+]1C)c1ccccn1 ZINC000044562052 1171392113 /nfs/dbraw/zinc/39/21/13/1171392113.db2.gz DQFBLTRVAWEUDJ-STQMWFEESA-N 1 1 233.359 2.217 10 0 BEAEMO C[C@H](NC[C@@H]1CCCC[N@H+]1C)c1ccccn1 ZINC000044562052 1171392123 /nfs/dbraw/zinc/39/21/23/1171392123.db2.gz DQFBLTRVAWEUDJ-STQMWFEESA-N 1 1 233.359 2.217 10 0 BEAEMO CC[N@@H+]1CC[C@H](N)[C@]12CCCC(C)(C)C2 ZINC000685953531 538898008 /nfs/dbraw/zinc/89/80/08/538898008.db2.gz IGFFGXGJIJTBKY-WCQYABFASA-N 1 1 210.365 2.378 10 0 BEAEMO CC[N@H+]1CC[C@H](N)[C@]12CCCC(C)(C)C2 ZINC000685953531 538898009 /nfs/dbraw/zinc/89/80/09/538898009.db2.gz IGFFGXGJIJTBKY-WCQYABFASA-N 1 1 210.365 2.378 10 0 BEAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000399372881 262782632 /nfs/dbraw/zinc/78/26/32/262782632.db2.gz MVYPUEGDTQKVDJ-KGLIPLIRSA-N 1 1 243.391 2.286 10 0 BEAEMO C[C@@H]1C[C@]2(CC(C)(C)C1)C(=O)CC[N@@H+]2C ZINC000685954566 538899371 /nfs/dbraw/zinc/89/93/71/538899371.db2.gz OHOAXCVQODNSEP-GWCFXTLKSA-N 1 1 209.333 2.476 10 0 BEAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@@H+]2C ZINC000685955249 538900377 /nfs/dbraw/zinc/90/03/77/538900377.db2.gz WUIIPRXCKGSHRG-CPCZMJQVSA-N 1 1 210.365 2.378 10 0 BEAEMO CCCC1CCC2(CC1)[C@@H](N)CC[N@H+]2C ZINC000685955249 538900378 /nfs/dbraw/zinc/90/03/78/538900378.db2.gz WUIIPRXCKGSHRG-CPCZMJQVSA-N 1 1 210.365 2.378 10 0 BEAEMO CCCC1CCC2(CC1)[C@@H]([NH3+])CCN2C ZINC000685955249 538900380 /nfs/dbraw/zinc/90/03/80/538900380.db2.gz WUIIPRXCKGSHRG-CPCZMJQVSA-N 1 1 210.365 2.378 10 0 BEAEMO C[NH2+]CC(F)(F)CO[C@H]1CC[C@H](C)C1 ZINC000685956431 538902960 /nfs/dbraw/zinc/90/29/60/538902960.db2.gz DLQLIZDVAWPLLJ-IUCAKERBSA-N 1 1 207.264 2.046 10 0 BEAEMO CCC(CC)(CN)[N@@H+](C)CCc1ccncc1 ZINC000048259722 168322274 /nfs/dbraw/zinc/32/22/74/168322274.db2.gz AWKAQRUVKDGSHM-UHFFFAOYSA-N 1 1 235.375 2.073 10 0 BEAEMO CCC(CC)(C[NH3+])N(C)CCc1ccncc1 ZINC000048259722 168322277 /nfs/dbraw/zinc/32/22/77/168322277.db2.gz AWKAQRUVKDGSHM-UHFFFAOYSA-N 1 1 235.375 2.073 10 0 BEAEMO OCC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000161608716 349484377 /nfs/dbraw/zinc/48/43/77/349484377.db2.gz KJLXIKYSJPOJOL-LLVKDONJSA-N 1 1 223.291 2.030 10 0 BEAEMO [NH3+][C@H](Cc1c(F)cccc1F)C(F)F ZINC000236324376 398151174 /nfs/dbraw/zinc/15/11/74/398151174.db2.gz KSSMEVOPILENEH-MRVPVSSYSA-N 1 1 207.170 2.100 10 0 BEAEMO Cc1cc(CNc2[nH+]cccc2C)on1 ZINC000051041186 178044679 /nfs/dbraw/zinc/04/46/79/178044679.db2.gz SIVKZCQORFDSDB-UHFFFAOYSA-N 1 1 203.245 2.299 10 0 BEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616613966 398165249 /nfs/dbraw/zinc/16/52/49/398165249.db2.gz XADISBIBIIEIQF-ZDUSSCGKSA-N 1 1 246.354 2.373 10 0 BEAEMO C[C@]12C[NH2+]C[C@]1(C)CN(Cc1ccccc1)C2 ZINC000521398865 398197282 /nfs/dbraw/zinc/19/72/82/398197282.db2.gz QYDLHLFKHURUHQ-HUUCEWRRSA-N 1 1 230.355 2.118 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC=C(C)C ZINC000175357278 365546804 /nfs/dbraw/zinc/54/68/04/365546804.db2.gz FHOUQNTUHCDLIB-CYBMUJFWSA-N 1 1 210.365 2.369 10 0 BEAEMO CC(C)[N@H+]1CCCCC[C@H]1c1c[nH]nc1N ZINC000616622082 398206793 /nfs/dbraw/zinc/20/67/93/398206793.db2.gz SXOYKZDTAFWFQC-NSHDSACASA-N 1 1 222.336 2.148 10 0 BEAEMO Cc1cc(N[C@H]2CCC[N@H+](C)C2)ccc1N ZINC000040715771 178188679 /nfs/dbraw/zinc/18/86/79/178188679.db2.gz WXTJGSNBCTXQJG-LBPRGKRZSA-N 1 1 219.332 2.083 10 0 BEAEMO CC[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000380095723 488174696 /nfs/dbraw/zinc/17/46/96/488174696.db2.gz OFXSKRQWWZARQP-FRRDWIJNSA-N 1 1 211.349 2.269 10 0 BEAEMO Cc1cc([C@H]([NH3+])c2cscn2)c(C)o1 ZINC000062356835 178263199 /nfs/dbraw/zinc/26/31/99/178263199.db2.gz PQRFHZVIUOCFOU-JTQLQIEISA-N 1 1 208.286 2.401 10 0 BEAEMO Cc1cc([C@]2(O)CC[N@H+](C3CC3)C2)ccc1F ZINC000061988351 178270011 /nfs/dbraw/zinc/27/00/11/178270011.db2.gz JNVFCRQZQCKZCC-AWEZNQCLSA-N 1 1 235.302 2.190 10 0 BEAEMO CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[C@H](O)C1 ZINC000383438663 398257861 /nfs/dbraw/zinc/25/78/61/398257861.db2.gz DEFSANGDOVJMOX-HZSPNIEDSA-N 1 1 241.375 2.038 10 0 BEAEMO Cc1ccc(-c2nnc(C[NH3+])s2)c(C)c1 ZINC000075430011 178340494 /nfs/dbraw/zinc/34/04/94/178340494.db2.gz CRFZQPFXEPCKCG-UHFFFAOYSA-N 1 1 219.313 2.281 10 0 BEAEMO Cc1ccc(-c2nnc(C[NH3+])s2)cc1C ZINC000057500589 178341011 /nfs/dbraw/zinc/34/10/11/178341011.db2.gz XOIIEAHFSSLRPS-UHFFFAOYSA-N 1 1 219.313 2.281 10 0 BEAEMO CC[N@H+]1CC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616612472 349559652 /nfs/dbraw/zinc/55/96/52/349559652.db2.gz DJVURFXIBOPEGK-CQSZACIVSA-N 1 1 219.328 2.031 10 0 BEAEMO C[N@@H+](CCc1ccncc1)C[C@H]1CCC[C@H](O)C1 ZINC000386559540 398265144 /nfs/dbraw/zinc/26/51/44/398265144.db2.gz VFMSSSNZJDYWCH-GJZGRUSLSA-N 1 1 248.370 2.107 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)C[C@@H]1CCC[C@@H]1O ZINC000053924021 168374775 /nfs/dbraw/zinc/37/47/75/168374775.db2.gz UOEWTAPIESXKJJ-JSGCOSHPSA-N 1 1 243.391 2.284 10 0 BEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccncn2)C1 ZINC000616612970 349590498 /nfs/dbraw/zinc/59/04/98/349590498.db2.gz DXTLOPIACCDKOJ-JTQLQIEISA-N 1 1 205.305 2.064 10 0 BEAEMO CC[N@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616612959 349590102 /nfs/dbraw/zinc/59/01/02/349590102.db2.gz DJVURFXIBOPEGK-AWEZNQCLSA-N 1 1 219.328 2.031 10 0 BEAEMO C[N@H+](Cc1ccco1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381653112 398268520 /nfs/dbraw/zinc/26/85/20/398268520.db2.gz SFCBXZMEKRXBPC-VXGBXAGGSA-N 1 1 223.316 2.263 10 0 BEAEMO CC[N@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616612955 349589679 /nfs/dbraw/zinc/58/96/79/349589679.db2.gz DGNRVJAWBQGUPF-ZDUSSCGKSA-N 1 1 227.311 2.439 10 0 BEAEMO C[C@H](Nc1[nH+]cccc1N)c1cccnc1 ZINC000035692049 342755629 /nfs/dbraw/zinc/75/56/29/342755629.db2.gz UCSRTPDYKGWKCM-VIFPVBQESA-N 1 1 214.272 2.232 10 0 BEAEMO C[C@@H](Nc1ccc(N)c[nH+]1)c1ccncc1 ZINC000035693249 342755690 /nfs/dbraw/zinc/75/56/90/342755690.db2.gz QINSCMXKADTVSK-SECBINFHSA-N 1 1 214.272 2.232 10 0 BEAEMO CC(C)C(=O)O[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005452643 342764106 /nfs/dbraw/zinc/76/41/06/342764106.db2.gz AKINKDOLVIOTCB-VXGBXAGGSA-N 1 1 225.332 2.203 10 0 BEAEMO [NH3+][C@H](Cc1cccc(Cl)c1)C(F)F ZINC000214681939 342770089 /nfs/dbraw/zinc/77/00/89/342770089.db2.gz KVWHCGDODXFJFP-MRVPVSSYSA-N 1 1 205.635 2.475 10 0 BEAEMO Nc1ccc(C[NH+]2CCC2)c(C(F)(F)F)c1 ZINC000150244055 342799104 /nfs/dbraw/zinc/79/91/04/342799104.db2.gz YTEHESZLVVPXDZ-UHFFFAOYSA-N 1 1 230.233 2.493 10 0 BEAEMO CC[N@@H+]1C[C@H](N[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000381568350 539004200 /nfs/dbraw/zinc/00/42/00/539004200.db2.gz VSFMCONWJZSQII-AXFHLTTASA-N 1 1 239.388 2.134 10 0 BEAEMO CCN1C[C@H]([NH2+][C@H](C)c2nccs2)[C@@H](C)C1 ZINC000381568350 539004201 /nfs/dbraw/zinc/00/42/01/539004201.db2.gz VSFMCONWJZSQII-AXFHLTTASA-N 1 1 239.388 2.134 10 0 BEAEMO Cc1ccoc1[C@@H]1[NH2+]CCc2occc21 ZINC000709938873 539027807 /nfs/dbraw/zinc/02/78/07/539027807.db2.gz OYYILTFWULOWCS-LLVKDONJSA-N 1 1 203.241 2.416 10 0 BEAEMO CCc1[nH+]ccn1-c1ccccc1C=O ZINC000042419934 361997339 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/nfs/dbraw/zinc/34/21/91/398342191.db2.gz AQQYLXOOQNEGMS-UHFFFAOYSA-N 1 1 236.363 2.369 10 0 BEAEMO Fc1cc([C@H]2[NH2+]CCS2)cc(F)c1F ZINC000062707226 346903912 /nfs/dbraw/zinc/90/39/12/346903912.db2.gz FMEACVZBJABGAE-VIFPVBQESA-N 1 1 219.231 2.439 10 0 BEAEMO CCc1ccccc1CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361863 529584887 /nfs/dbraw/zinc/58/48/87/529584887.db2.gz NXVSNTISVZKCFV-GXTWGEPZSA-N 1 1 232.371 2.337 10 0 BEAEMO Nc1nc(N)c(C23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000013525084 343090869 /nfs/dbraw/zinc/09/08/69/343090869.db2.gz WMXJACCTBMTKBW-UHFFFAOYSA-N 1 1 244.342 2.109 10 0 BEAEMO CCN1CCC[C@H]1C[N@@H+](C)C1CCCC1 ZINC000120110228 343108999 /nfs/dbraw/zinc/10/89/99/343108999.db2.gz WKNQSPGRUVWSTB-ZDUSSCGKSA-N 1 1 210.365 2.345 10 0 BEAEMO CC[N@@H+]1CCC[C@H]1CN(C)C1CCCC1 ZINC000120110228 343109002 /nfs/dbraw/zinc/10/90/02/343109002.db2.gz WKNQSPGRUVWSTB-ZDUSSCGKSA-N 1 1 210.365 2.345 10 0 BEAEMO CC[N@H+]1CCC[C@H]1CN(C)C1CCCC1 ZINC000120110228 343109003 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343587862 /nfs/dbraw/zinc/58/78/62/343587862.db2.gz RXZJBEJVPASMDB-VIFPVBQESA-N 1 1 225.704 2.240 10 0 BEAEMO CC(C)[N@H+]1CC[C@H](c2ccccc2N)C1 ZINC000616613415 349825671 /nfs/dbraw/zinc/82/56/71/349825671.db2.gz IYULSXDNTWDUME-NSHDSACASA-N 1 1 204.317 2.467 10 0 BEAEMO CNc1nc(NCc2ccccc2)c(C)c[nH+]1 ZINC000128360078 346953997 /nfs/dbraw/zinc/95/39/97/346953997.db2.gz ZHQZGNPQKIJRBU-UHFFFAOYSA-N 1 1 228.299 2.439 10 0 BEAEMO CCOc1ccccc1[C@H]1[NH2+]CCS1 ZINC000050522791 343782176 /nfs/dbraw/zinc/78/21/76/343782176.db2.gz KOIWYOILQBSDGR-NSHDSACASA-N 1 1 209.314 2.420 10 0 BEAEMO CCOC[C@H]1CCCCN1c1ccc(N)c[nH+]1 ZINC000313271537 343791104 /nfs/dbraw/zinc/79/11/04/343791104.db2.gz OONVNBLZBROUCP-GFCCVEGCSA-N 1 1 235.331 2.059 10 0 BEAEMO C[C@@H]1[C@@H]2CN(C)C[C@@H]2C[N@@H+]1Cc1ccccc1 ZINC000409431598 343824046 /nfs/dbraw/zinc/82/40/46/343824046.db2.gz RJPWPILRMFONAL-YUELXQCFSA-N 1 1 230.355 2.069 10 0 BEAEMO C[C@@H]1[C@@H]2CN(C)C[C@@H]2C[N@H+]1Cc1ccccc1 ZINC000409431598 343824048 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CC[C@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000052097002 387802835 /nfs/dbraw/zinc/80/28/35/387802835.db2.gz FUFIOKMXZPWJQG-GJZGRUSLSA-N 1 1 249.354 2.005 10 0 BEAEMO CCC[C@H](C)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194599526 387884961 /nfs/dbraw/zinc/88/49/61/387884961.db2.gz NFKAAHUSIBMMTF-LBPRGKRZSA-N 1 1 238.375 2.119 10 0 BEAEMO Cc1csc([C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000195385806 387913334 /nfs/dbraw/zinc/91/33/34/387913334.db2.gz AEWZVCWMSVUTIL-NSHDSACASA-N 1 1 240.372 2.481 10 0 BEAEMO Cc1csc([C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000195385806 387913338 /nfs/dbraw/zinc/91/33/38/387913338.db2.gz AEWZVCWMSVUTIL-NSHDSACASA-N 1 1 240.372 2.481 10 0 BEAEMO CCC(CC)C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000195412070 387914318 /nfs/dbraw/zinc/91/43/18/387914318.db2.gz HWBDHZBGDWFCIJ-UHFFFAOYSA-N 1 1 238.375 2.119 10 0 BEAEMO Cc1csc([C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000195441152 387915044 /nfs/dbraw/zinc/91/50/44/387915044.db2.gz MHQGQNKEILKEFH-NSHDSACASA-N 1 1 240.372 2.013 10 0 BEAEMO CCC[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195247581 387916303 /nfs/dbraw/zinc/91/63/03/387916303.db2.gz QDTGXEBUSUEDHD-QWHCGFSZSA-N 1 1 238.375 2.119 10 0 BEAEMO COC(=O)c1cccnc1C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000459371144 387933915 /nfs/dbraw/zinc/93/39/15/387933915.db2.gz ROOWPVYGBDYKAL-PHIMTYICSA-N 1 1 248.326 2.241 10 0 BEAEMO C[C@H]1CC[N@H+](C2CCC2)C[C@H]1n1ccnc1 ZINC000245589309 387964128 /nfs/dbraw/zinc/96/41/28/387964128.db2.gz FZCCVSNSGTYVTE-WCQYABFASA-N 1 1 219.332 2.319 10 0 BEAEMO CC(C)(C)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245688730 387972935 /nfs/dbraw/zinc/97/29/35/387972935.db2.gz ANYGYUCWVHVEFC-GHMZBOCLSA-N 1 1 229.389 2.239 10 0 BEAEMO Cc1cc(C)c2[nH+]cc3c(c2c1)NCCNC3=O ZINC000053994748 387976894 /nfs/dbraw/zinc/97/68/94/387976894.db2.gz LYLPIMWWZIWJTN-UHFFFAOYSA-N 1 1 241.294 2.007 10 0 BEAEMO CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000245855528 387988811 /nfs/dbraw/zinc/98/88/11/387988811.db2.gz OJZMSKGYVKCORR-XBFCOCLRSA-N 1 1 246.354 2.204 10 0 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/nfs/dbraw/zinc/16/57/42/170165742.db2.gz DUKFGHBUUOHBKN-STQMWFEESA-N 1 1 210.365 2.393 10 0 BEAEMO CCOC(=O)C(C)(C)[NH2+]CCC(C)(C)C ZINC000121498146 170187278 /nfs/dbraw/zinc/18/72/78/170187278.db2.gz KRRUZEGTSVZTAB-UHFFFAOYSA-N 1 1 215.337 2.354 10 0 BEAEMO CCOC(=O)C[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000002511895 170230993 /nfs/dbraw/zinc/23/09/93/170230993.db2.gz MDOPFIZPNRWOFO-SNVBAGLBSA-N 1 1 233.267 2.386 10 0 BEAEMO CCOC(=O)[C@@]1([NH2+]CC2CC2)CCC[C@@H](C)C1 ZINC000037968029 170263466 /nfs/dbraw/zinc/26/34/66/170263466.db2.gz RCIRRBPFTIQMNK-BXUZGUMPSA-N 1 1 239.359 2.498 10 0 BEAEMO CCOCCC[N@H+]1C[C@@H](CC)NC[C@H]1C(C)C ZINC000083370838 170375416 /nfs/dbraw/zinc/37/54/16/170375416.db2.gz OKGFLSABEURVJR-KGLIPLIRSA-N 1 1 242.407 2.121 10 0 BEAEMO CCOCCCN1C[C@@H](CC)[NH2+]C[C@H]1C(C)C ZINC000083370838 170375417 /nfs/dbraw/zinc/37/54/17/170375417.db2.gz OKGFLSABEURVJR-KGLIPLIRSA-N 1 1 242.407 2.121 10 0 BEAEMO CC(C)=CCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000660805582 411640859 /nfs/dbraw/zinc/64/08/59/411640859.db2.gz DCPOTOSCEKZZHA-BFHYXJOUSA-N 1 1 223.360 2.436 10 0 BEAEMO CCCc1nccnc1N[C@@H]1CCC[N@@H+](CC)C1 ZINC000663414660 411652117 /nfs/dbraw/zinc/65/21/17/411652117.db2.gz HWDLYYWDDDBBSE-GFCCVEGCSA-N 1 1 248.374 2.325 10 0 BEAEMO CC(C)O[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000660897387 411661860 /nfs/dbraw/zinc/66/18/60/411661860.db2.gz IIRCUYVXFXJGDL-MGPQQGTHSA-N 1 1 241.375 2.037 10 0 BEAEMO O[C@@H]1CCC[C@H]1[N@H+]1CCCc2ccccc2C1 ZINC000219931649 411989291 /nfs/dbraw/zinc/98/92/91/411989291.db2.gz HEKNFHNPCWTQBW-HUUCEWRRSA-N 1 1 231.339 2.348 10 0 BEAEMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@H]1O ZINC000662127576 411995357 /nfs/dbraw/zinc/99/53/57/411995357.db2.gz CFXKTAGNXABSNU-ZLOUSURVSA-N 1 1 209.333 2.163 10 0 BEAEMO CC[C@@H]1CC[N@@H+](CC2CCCC2)CCN1 ZINC000049661939 171009761 /nfs/dbraw/zinc/00/97/61/171009761.db2.gz RMKBQEVWIIRONN-CYBMUJFWSA-N 1 1 210.365 2.251 10 0 BEAEMO CC[C@@H]1CCN(CC2CCCC2)CC[NH2+]1 ZINC000049661939 171009764 /nfs/dbraw/zinc/00/97/64/171009764.db2.gz RMKBQEVWIIRONN-CYBMUJFWSA-N 1 1 210.365 2.251 10 0 BEAEMO CC[C@@H]1CCN(CCc2ccco2)CCC[NH2+]1 ZINC000049667364 171011679 /nfs/dbraw/zinc/01/16/79/171011679.db2.gz SJRJLAYFGKLDMC-CYBMUJFWSA-N 1 1 236.359 2.286 10 0 BEAEMO CC[C@@H]1CCN(CCc2cccnc2)CCC[NH2+]1 ZINC000049666848 171012692 /nfs/dbraw/zinc/01/26/92/171012692.db2.gz GTBWKVIKCCRGLM-OAHLLOKOSA-N 1 1 247.386 2.088 10 0 BEAEMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c(N)c2)CCO1 ZINC000036770142 171089645 /nfs/dbraw/zinc/08/96/45/171089645.db2.gz ZOSNGFWDUZGYRT-CYBMUJFWSA-N 1 1 234.343 2.188 10 0 BEAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccnc1 ZINC000246390188 171100059 /nfs/dbraw/zinc/10/00/59/171100059.db2.gz CCDMBPWRAJRPRC-CABCVRRESA-N 1 1 245.370 2.140 10 0 BEAEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccnc(NC)c1 ZINC000052729864 171110728 /nfs/dbraw/zinc/11/07/28/171110728.db2.gz OMLYBUMUGGYOAZ-WCQYABFASA-N 1 1 249.358 2.123 10 0 BEAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccnc(NC)c1 ZINC000052729864 171110729 /nfs/dbraw/zinc/11/07/29/171110729.db2.gz OMLYBUMUGGYOAZ-WCQYABFASA-N 1 1 249.358 2.123 10 0 BEAEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)C(C)(C)C ZINC000054026709 171111109 /nfs/dbraw/zinc/11/11/09/171111109.db2.gz LBKSAAKRHYOKPA-NWDGAFQWSA-N 1 1 241.375 2.491 10 0 BEAEMO CC[C@@](C)(O)C[N@@H+](C)CCOc1ccccc1 ZINC000123028337 171177511 /nfs/dbraw/zinc/17/75/11/171177511.db2.gz SNKCSRIMMWNJCE-CQSZACIVSA-N 1 1 237.343 2.158 10 0 BEAEMO CC[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000372502415 171179178 /nfs/dbraw/zinc/17/91/78/171179178.db2.gz GHIIPXRIYFNDAK-ZYHUDNBSSA-N 1 1 240.372 2.441 10 0 BEAEMO CC[C@H](C)[N@@H+](C)Cc1ncccc1C(=O)OC ZINC000304175968 171310179 /nfs/dbraw/zinc/31/01/79/171310179.db2.gz NMVAHIFNBUSCBR-JTQLQIEISA-N 1 1 236.315 2.099 10 0 BEAEMO CC[C@H](C)[N@@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000287279943 171313104 /nfs/dbraw/zinc/31/31/04/171313104.db2.gz IBRITNOHEUQTFW-JSGCOSHPSA-N 1 1 233.355 2.419 10 0 BEAEMO CC[C@H](C)[N@H+](CCOC)CC(=O)c1ccco1 ZINC000042587387 171315249 /nfs/dbraw/zinc/31/52/49/171315249.db2.gz CEPWUDSIIDXYNB-NSHDSACASA-N 1 1 239.315 2.209 10 0 BEAEMO CC[C@H](C)[N@@H+](CCOC)CC(=O)c1ccco1 ZINC000042587387 171315252 /nfs/dbraw/zinc/31/52/52/171315252.db2.gz CEPWUDSIIDXYNB-NSHDSACASA-N 1 1 239.315 2.209 10 0 BEAEMO CC[C@H](C)[C@@H](CN)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615230 171368513 /nfs/dbraw/zinc/36/85/13/171368513.db2.gz FKVVDBQSEQYHLP-SGMGOOAPSA-N 1 1 242.407 2.107 10 0 BEAEMO C[C@H]1C[C@H](CN[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000665239790 412179896 /nfs/dbraw/zinc/17/98/96/412179896.db2.gz ZGCXYWOZSVRBJP-MROQNXINSA-N 1 1 210.365 2.010 10 0 BEAEMO C[C@H]1CC(CN[C@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000665239792 412180132 /nfs/dbraw/zinc/18/01/32/412180132.db2.gz ZGCXYWOZSVRBJP-WZRBSPASSA-N 1 1 210.365 2.010 10 0 BEAEMO C1CC(C2CCC(N[C@H]3CC[NH2+]C3)CC2)C1 ZINC000665284010 412229417 /nfs/dbraw/zinc/22/94/17/412229417.db2.gz YTFYMMVLHIJCHG-RUXDESIVSA-N 1 1 222.376 2.297 10 0 BEAEMO Cc1nccc(NCC[C@@H]([NH3+])C(C)C)c1Cl ZINC000663276009 412405402 /nfs/dbraw/zinc/40/54/02/412405402.db2.gz IPOPDFVBBMYETF-SNVBAGLBSA-N 1 1 241.766 2.251 10 0 BEAEMO CCc1ccc([C@@H]([NH3+])c2ncccn2)cc1 ZINC000053297055 171834060 /nfs/dbraw/zinc/83/40/60/171834060.db2.gz DOEOVDYIOABGSB-GFCCVEGCSA-N 1 1 213.284 2.087 10 0 BEAEMO CCc1ccc([C@@H]2[NH2+]C[C@H](C)O[C@@H]2C)o1 ZINC000101419941 171837385 /nfs/dbraw/zinc/83/73/85/171837385.db2.gz ZKMFNBKTKXOQST-YGOYTEALSA-N 1 1 209.289 2.280 10 0 BEAEMO CCc1[nH+]c(-c2cccnc2)c(N)n1C1CC1 ZINC000103502077 171939366 /nfs/dbraw/zinc/93/93/66/171939366.db2.gz KIQKHADEECIFLB-UHFFFAOYSA-N 1 1 228.299 2.425 10 0 BEAEMO CCc1nc([C@]2([NH3+])CCCc3ccccc32)no1 ZINC000036762959 172008434 /nfs/dbraw/zinc/00/84/34/172008434.db2.gz JMLXXIDKOHDIRN-AWEZNQCLSA-N 1 1 243.310 2.171 10 0 BEAEMO CCc1nccn1[C@H]1CCC[N@H+](CC)C1 ZINC000105897403 172028653 /nfs/dbraw/zinc/02/86/53/172028653.db2.gz UFDYFERATYUVDE-NSHDSACASA-N 1 1 207.321 2.102 10 0 BEAEMO CCc1nnc(C[NH2+][C@H](C)c2ccccc2)n1C ZINC000120701066 172053710 /nfs/dbraw/zinc/05/37/10/172053710.db2.gz ZXVKSSZJDJMVHY-LLVKDONJSA-N 1 1 244.342 2.228 10 0 BEAEMO CCn1cccc1C[NH2+]Cc1nccs1 ZINC000085609111 172207817 /nfs/dbraw/zinc/20/78/17/172207817.db2.gz XQFSRTOZAFMXHQ-UHFFFAOYSA-N 1 1 221.329 2.254 10 0 BEAEMO CCn1cccc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000091025241 172209911 /nfs/dbraw/zinc/20/99/11/172209911.db2.gz RFGNMLLHEHBWJB-CQSZACIVSA-N 1 1 249.402 2.472 10 0 BEAEMO CCn1ccnc1N[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000104305372 172228420 /nfs/dbraw/zinc/22/84/20/172228420.db2.gz UIKIQUZTTZNDQY-YPMHNXCESA-N 1 1 236.363 2.223 10 0 BEAEMO CCn1ccnc1[C@@H]([NH3+])c1cc(C)oc1C ZINC000041048459 172229097 /nfs/dbraw/zinc/22/90/97/172229097.db2.gz COMYPBKDNISOFO-NSHDSACASA-N 1 1 219.288 2.161 10 0 BEAEMO CCn1ccnc1[C@H]([NH3+])c1cccc(F)c1F ZINC000054214674 172229683 /nfs/dbraw/zinc/22/96/83/172229683.db2.gz XRACTNJYVDTQMS-LLVKDONJSA-N 1 1 237.253 2.229 10 0 BEAEMO CCn1ccnc1[C@@H]([NH3+])c1cccc(F)c1F ZINC000054214676 172229821 /nfs/dbraw/zinc/22/98/21/172229821.db2.gz XRACTNJYVDTQMS-NSHDSACASA-N 1 1 237.253 2.229 10 0 BEAEMO C[N@H+]1CCCC[C@@H]1COc1ccc(F)cc1N ZINC000020352132 173005169 /nfs/dbraw/zinc/00/51/69/173005169.db2.gz AOJDLKUSJHKFCX-LLVKDONJSA-N 1 1 238.306 2.271 10 0 BEAEMO C[N@H+]1CCCC[C@]12CCN(c1cccnc1)C2 ZINC000034117467 173010555 /nfs/dbraw/zinc/01/05/55/173010555.db2.gz UYQZDLGBFGTWLR-CQSZACIVSA-N 1 1 231.343 2.146 10 0 BEAEMO CN1CCC[N@@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000336278244 173016652 /nfs/dbraw/zinc/01/66/52/173016652.db2.gz FCMJTBRMNCETKR-GFCCVEGCSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@@H+]1CCCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000336278244 173016655 /nfs/dbraw/zinc/01/66/55/173016655.db2.gz FCMJTBRMNCETKR-GFCCVEGCSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@H+]1CCCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000336278244 173016656 /nfs/dbraw/zinc/01/66/56/173016656.db2.gz FCMJTBRMNCETKR-GFCCVEGCSA-N 1 1 246.345 2.449 10 0 BEAEMO C[N@H+]1CCCN(c2ccc(N)cc2Cl)CC1 ZINC000020217462 173018603 /nfs/dbraw/zinc/01/86/03/173018603.db2.gz SZGRYRRMOCAOMM-UHFFFAOYSA-N 1 1 239.750 2.064 10 0 BEAEMO C[N@H+]1CCC[C@H](CNc2cc(F)ccc2N)C1 ZINC000052122048 173041244 /nfs/dbraw/zinc/04/12/44/173041244.db2.gz ZYIZEIKJGSRVKW-SNVBAGLBSA-N 1 1 237.322 2.162 10 0 BEAEMO C[N@H+]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000040673499 173046010 /nfs/dbraw/zinc/04/60/10/173046010.db2.gz CDBQPZAYNROGBZ-JTQLQIEISA-N 1 1 225.723 2.241 10 0 BEAEMO C[N@@H+]1CCC[C@]1(C)C(=O)OCc1ccccc1 ZINC000066351432 173060781 /nfs/dbraw/zinc/06/07/81/173060781.db2.gz MBONTIKDPBMGLX-CQSZACIVSA-N 1 1 233.311 2.214 10 0 BEAEMO C[N@H+]1CCC[C@]1(C)C(=O)OCc1ccccc1 ZINC000066351432 173060785 /nfs/dbraw/zinc/06/07/85/173060785.db2.gz MBONTIKDPBMGLX-CQSZACIVSA-N 1 1 233.311 2.214 10 0 BEAEMO C[NH+]1CCN([C@H]2CCCc3ccc(O)cc32)CC1 ZINC000090505076 173093969 /nfs/dbraw/zinc/09/39/69/173093969.db2.gz VJDPDWMXGFSDAW-HNNXBMFYSA-N 1 1 246.354 2.017 10 0 BEAEMO C[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2N)C1 ZINC000037484604 173117197 /nfs/dbraw/zinc/11/71/97/173117197.db2.gz UVAHBZXWQXSAHB-VIFPVBQESA-N 1 1 239.750 2.286 10 0 BEAEMO CN1CC[C@@H]([N@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000116281233 173119893 /nfs/dbraw/zinc/11/98/93/173119893.db2.gz QRKSGEHHBZLVAD-HIFRSBDPSA-N 1 1 248.370 2.039 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2cc(F)c(F)cc2F)C1 ZINC000061989923 173125562 /nfs/dbraw/zinc/12/55/62/173125562.db2.gz DCBPLICWBZZELS-SSDOTTSWSA-N 1 1 230.233 2.220 10 0 BEAEMO C[N@H+]1CC[C@H](CNc2ccc(N)cc2Cl)C1 ZINC000037484599 173146337 /nfs/dbraw/zinc/14/63/37/173146337.db2.gz IBGFSMLESFDDTN-SECBINFHSA-N 1 1 239.750 2.286 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984721 173155018 /nfs/dbraw/zinc/15/50/18/173155018.db2.gz GDECNLVXZWIBRO-JTQLQIEISA-N 1 1 242.269 2.404 10 0 BEAEMO C[N@H+]1CC[C@H](Nc2cc(F)c(F)c(F)c2)C1 ZINC000061989926 173155266 /nfs/dbraw/zinc/15/52/66/173155266.db2.gz ZWPPDVMVOBGTPI-ZETCQYMHSA-N 1 1 230.233 2.220 10 0 BEAEMO C[N@H+]1CCc2cccc(Br)c2CC1 ZINC000095742336 173172403 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244.423 2.497 10 0 BEAEMO CC[N@H+]1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616612547 349567493 /nfs/dbraw/zinc/56/74/93/349567493.db2.gz WBUOHZJIUUHVSW-GFCCVEGCSA-N 1 1 219.332 2.368 10 0 BEAEMO CCC(CC)[N@@H+](CCO)[C@H]1CCCCC[C@@H]1N ZINC000042513323 168374062 /nfs/dbraw/zinc/37/40/62/168374062.db2.gz DGIKIJLDVJATCK-KBPBESRZSA-N 1 1 242.407 2.129 10 0 BEAEMO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000090175169 398270508 /nfs/dbraw/zinc/27/05/08/398270508.db2.gz VDUPWUSEVQNAQH-REWJHTLYSA-N 1 1 224.392 2.495 10 0 BEAEMO CC[N@H+]1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616612809 349591050 /nfs/dbraw/zinc/59/10/50/349591050.db2.gz ZWGRANYNCRSMIV-MRVPVSSYSA-N 1 1 211.227 2.397 10 0 BEAEMO CC(C)C(=O)O[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005452649 342707303 /nfs/dbraw/zinc/70/73/03/342707303.db2.gz AKINKDOLVIOTCB-NEPJUHHUSA-N 1 1 225.332 2.203 10 0 BEAEMO CCN1CCC[C@H]([C@H]2CCCCC[NH2+]2)C1 ZINC000003735132 342737480 /nfs/dbraw/zinc/73/74/80/342737480.db2.gz SJSOQIPWFQABOH-QWHCGFSZSA-N 1 1 210.365 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CC[C@@H](C)C[N@@H+](C)C[C@H](N)CC(C)C ZINC000037173544 342924031 /nfs/dbraw/zinc/92/40/31/342924031.db2.gz RCZBRNSKRXWELQ-VXGBXAGGSA-N 1 1 200.370 2.338 10 0 BEAEMO CC[C@@H](C)CN(C)C[C@H]([NH3+])CC(C)C ZINC000037173544 342924033 /nfs/dbraw/zinc/92/40/33/342924033.db2.gz RCZBRNSKRXWELQ-VXGBXAGGSA-N 1 1 200.370 2.338 10 0 BEAEMO CCC(CC)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158837306 398341595 /nfs/dbraw/zinc/34/15/95/398341595.db2.gz JTMQCCDPGLUWAN-AAEUAGOBSA-N 1 1 240.391 2.268 10 0 BEAEMO CCc1ccccc1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361867 529585032 /nfs/dbraw/zinc/58/50/32/529585032.db2.gz NXVSNTISVZKCFV-TZMCWYRMSA-N 1 1 232.371 2.337 10 0 BEAEMO CC(C)C[C@H]([NH3+])C(=O)OC1CCCCC1 ZINC000048632106 343050519 /nfs/dbraw/zinc/05/05/19/343050519.db2.gz HDSMCMZVOYSQNX-NSHDSACASA-N 1 1 213.321 2.236 10 0 BEAEMO CNc1c(N)c[nH+]c2ccc(Cl)c(F)c21 ZINC000584882023 343083171 /nfs/dbraw/zinc/08/31/71/343083171.db2.gz JCMSJICYSBYNGN-UHFFFAOYSA-N 1 1 225.654 2.073 10 0 BEAEMO 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/nfs/dbraw/zinc/23/30/20/179233020.db2.gz PMZQHSMKHLYOND-JTQLQIEISA-N 1 1 242.282 2.102 10 0 BEAEMO Cc1ccccc1C(=O)C[NH+]1CCCC1 ZINC000037332180 179245554 /nfs/dbraw/zinc/24/55/54/179245554.db2.gz SPGQEXXBHPRUNB-UHFFFAOYSA-N 1 1 203.285 2.274 10 0 BEAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000364834461 347557035 /nfs/dbraw/zinc/55/70/35/347557035.db2.gz PZRABDWVUNLXSH-UONOGXRCSA-N 1 1 241.375 2.038 10 0 BEAEMO Cc1ccccc1C[N@@H+](CCN)CC(C)C ZINC000032013794 179272016 /nfs/dbraw/zinc/27/20/16/179272016.db2.gz LTBHVJCPLBODEP-UHFFFAOYSA-N 1 1 220.360 2.412 10 0 BEAEMO Cc1ccccc1C[N@H+](CCN)CC(C)C ZINC000032013794 179272019 /nfs/dbraw/zinc/27/20/19/179272019.db2.gz LTBHVJCPLBODEP-UHFFFAOYSA-N 1 1 220.360 2.412 10 0 BEAEMO Cc1ccccc1CN1CC[NH2+]C[C@H](C)C1 ZINC000049662202 179274076 /nfs/dbraw/zinc/27/40/76/179274076.db2.gz MMEMAFLJDQGNDA-LBPRGKRZSA-N 1 1 218.344 2.036 10 0 BEAEMO Cc1ccccc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000295109877 179274831 /nfs/dbraw/zinc/27/48/31/179274831.db2.gz VZFMXYCIMMYVEK-OCCSQVGLSA-N 1 1 219.328 2.340 10 0 BEAEMO OCCC[C@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000419181451 192108200 /nfs/dbraw/zinc/10/82/00/192108200.db2.gz BINCFMZDVUZUCE-CQSZACIVSA-N 1 1 241.375 2.040 10 0 BEAEMO Cc1ccccc1N(C)c1nccnc1C[NH3+] ZINC000054378132 179295126 /nfs/dbraw/zinc/29/51/26/179295126.db2.gz QTWOWBMRINKBLK-UHFFFAOYSA-N 1 1 228.299 2.012 10 0 BEAEMO CC(C)c1nnc(C[NH+]2CCCCCC2)n1C ZINC000195006448 259398599 /nfs/dbraw/zinc/39/85/99/259398599.db2.gz KPZYQLGJYYXPKE-UHFFFAOYSA-N 1 1 236.363 2.315 10 0 BEAEMO CC(C)(C)[N@H+]1CC[C@H](c2ccnnc2)C1 ZINC000616613645 349979248 /nfs/dbraw/zinc/97/92/48/349979248.db2.gz OOUKBSPVNUZPAH-NSHDSACASA-N 1 1 205.305 2.064 10 0 BEAEMO Cc1ccccc1[C@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000037910599 179343806 /nfs/dbraw/zinc/34/38/06/179343806.db2.gz UAABLHTZPDRRSP-GXTWGEPZSA-N 1 1 218.344 2.479 10 0 BEAEMO Cc1ccccc1[C@H]([NH3+])CN1CCC[C@@H]1C ZINC000037910599 179343808 /nfs/dbraw/zinc/34/38/08/179343808.db2.gz UAABLHTZPDRRSP-GXTWGEPZSA-N 1 1 218.344 2.479 10 0 BEAEMO COC(=O)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000595308050 348223062 /nfs/dbraw/zinc/22/30/62/348223062.db2.gz YHMPTQKLXWRBLI-CYBMUJFWSA-N 1 1 239.359 2.452 10 0 BEAEMO CC[NH2+]CCCNc1ccnc(C)c1Cl ZINC000308797232 323178249 /nfs/dbraw/zinc/17/82/49/323178249.db2.gz CRDPAFCIJSUYPZ-UHFFFAOYSA-N 1 1 227.739 2.455 10 0 BEAEMO Cc1[nH+]ccn1-c1ccc(F)cc1C=O ZINC000037233961 348277440 /nfs/dbraw/zinc/27/74/40/348277440.db2.gz JCSIGZVAXAECOM-UHFFFAOYSA-N 1 1 204.204 2.132 10 0 BEAEMO Cc1ccc[nH+]c1N[C@H]1CCCC[C@H]1O ZINC000052006226 179396005 /nfs/dbraw/zinc/39/60/05/179396005.db2.gz LDIAICVMRFWHQI-WDEREUQCSA-N 1 1 206.289 2.105 10 0 BEAEMO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000308826356 348758861 /nfs/dbraw/zinc/75/88/61/348758861.db2.gz DSSHYHPKBXMDJL-KCJUWKMLSA-N 1 1 201.273 2.061 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(F)cc1 ZINC000399292581 323203133 /nfs/dbraw/zinc/20/31/33/323203133.db2.gz SMNBJBAVGQFGFS-GWCFXTLKSA-N 1 1 223.291 2.171 10 0 BEAEMO Cc1ccc(C)c([C@H]2C[C@@H]([NH3+])CCN2C)c1 ZINC000211432274 538024579 /nfs/dbraw/zinc/02/45/79/538024579.db2.gz ITKFKCMRZDXVOC-GXTWGEPZSA-N 1 1 218.344 2.397 10 0 BEAEMO CC(C)(C)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000616584165 349328764 /nfs/dbraw/zinc/32/87/64/349328764.db2.gz HZTWEYWLELOQRL-CYBMUJFWSA-N 1 1 218.344 2.343 10 0 BEAEMO C[C@H](c1ccncc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251266742 538043243 /nfs/dbraw/zinc/04/32/43/538043243.db2.gz MVMIQTZTLIYTRI-HIFRSBDPSA-N 1 1 245.370 2.313 10 0 BEAEMO CN1CC[C@@H](c2cc[nH+]c(N)c2)c2ccccc21 ZINC000616585035 349365227 /nfs/dbraw/zinc/36/52/27/349365227.db2.gz DKMPMDHNAUDJRN-LBPRGKRZSA-N 1 1 239.322 2.466 10 0 BEAEMO Cc1nc([C@H](C)[NH2+]Cc2ccc(=O)[nH]c2)cs1 ZINC000392858383 350108316 /nfs/dbraw/zinc/10/83/16/350108316.db2.gz SQALJOQOFJUFTK-QMMMGPOBSA-N 1 1 249.339 2.403 10 0 BEAEMO Cc1nc([C@@H]([NH3+])c2ccc(C)c(C)c2)no1 ZINC000037180333 180040012 /nfs/dbraw/zinc/04/00/12/180040012.db2.gz PEKCWRWFEKNUMC-NSHDSACASA-N 1 1 217.272 2.043 10 0 BEAEMO CC[C@H](OCCC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000219842554 350142438 /nfs/dbraw/zinc/14/24/38/350142438.db2.gz LLVQZOAPNWJUOB-STQMWFEESA-N 1 1 228.380 2.081 10 0 BEAEMO Cc1[nH]c2ccc(N[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000075184396 180096335 /nfs/dbraw/zinc/09/63/35/180096335.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 1 1 244.342 2.377 10 0 BEAEMO Cc1nc2cc(N[C@H]3CCC[N@@H+](C)C3)ccc2[nH]1 ZINC000075184396 180096336 /nfs/dbraw/zinc/09/63/36/180096336.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 1 1 244.342 2.377 10 0 BEAEMO Cc1nc2cc(N[C@H]3CCC[N@H+](C)C3)ccc2[nH]1 ZINC000075184396 180096338 /nfs/dbraw/zinc/09/63/38/180096338.db2.gz STLXGWQEALCTGQ-LBPRGKRZSA-N 1 1 244.342 2.377 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@H]1CNC(F)(F)F ZINC000095088274 191053529 /nfs/dbraw/zinc/05/35/29/191053529.db2.gz RHLZBUPWYMQHMY-VIFPVBQESA-N 1 1 224.270 2.359 10 0 BEAEMO Cc1nc[nH]c1C[NH2+]Cc1ccccc1F ZINC000054793846 180122539 /nfs/dbraw/zinc/12/25/39/180122539.db2.gz BEQIUOXMNHULHG-UHFFFAOYSA-N 1 1 219.263 2.147 10 0 BEAEMO C=Cc1cncc(C[C@@H]2CCC[N@H+](CC)C2)n1 ZINC000725261726 538087186 /nfs/dbraw/zinc/08/71/86/538087186.db2.gz DQJMVRIZSLPXCD-LBPRGKRZSA-N 1 1 231.343 2.394 10 0 BEAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC000178293874 180265167 /nfs/dbraw/zinc/26/51/67/180265167.db2.gz DSOKJAIHGONLGB-PYEVWLCESA-N 1 1 239.750 2.408 10 0 BEAEMO Cc1[nH+]ccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877596 180265373 /nfs/dbraw/zinc/26/53/73/180265373.db2.gz LVNOAXKQMCELDY-LBPRGKRZSA-N 1 1 214.268 2.195 10 0 BEAEMO Cc1[nH+]ccn1Cc1nccn1C(C)C ZINC000299612173 180270296 /nfs/dbraw/zinc/27/02/96/180270296.db2.gz OKEUPGGKNIHPGE-UHFFFAOYSA-N 1 1 204.277 2.017 10 0 BEAEMO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000037979125 350297792 /nfs/dbraw/zinc/29/77/92/350297792.db2.gz JAZCIKYLRSBXIR-MWLCHTKSSA-N 1 1 238.331 2.153 10 0 BEAEMO [NH3+]CC(=O)c1cc(Cl)sc1Cl ZINC000082641205 187448732 /nfs/dbraw/zinc/44/87/32/187448732.db2.gz XQSBMIVIDTUARG-UHFFFAOYSA-N 1 1 210.085 2.196 10 0 BEAEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cncnc2)C1 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350636472 /nfs/dbraw/zinc/63/64/72/350636472.db2.gz LSGOJYCUUKMOSJ-NSHDSACASA-N 1 1 235.331 2.039 10 0 BEAEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1ncccn1 ZINC000616597053 350636475 /nfs/dbraw/zinc/63/64/75/350636475.db2.gz LSGOJYCUUKMOSJ-NSHDSACASA-N 1 1 235.331 2.039 10 0 BEAEMO CC[N@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000112075773 350652571 /nfs/dbraw/zinc/65/25/71/350652571.db2.gz NCZGYXBOIYVRSP-GFCCVEGCSA-N 1 1 246.358 2.250 10 0 BEAEMO C[N@H+]1CCCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616598550 350676055 /nfs/dbraw/zinc/67/60/55/350676055.db2.gz DJYRAVILJHCROE-CQSZACIVSA-N 1 1 243.310 2.023 10 0 BEAEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1cccnn1 ZINC000616598751 350688188 /nfs/dbraw/zinc/68/81/88/350688188.db2.gz VJOUEWFCNYLRDG-LBPRGKRZSA-N 1 1 235.331 2.039 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385051661 350754719 /nfs/dbraw/zinc/75/47/19/350754719.db2.gz SSKNLDIYKBPWSU-VWYCJHECSA-N 1 1 233.302 2.267 10 0 BEAEMO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCCCC1(F)F ZINC000385078905 350762245 /nfs/dbraw/zinc/76/22/45/350762245.db2.gz HMUZBFRNONNXTR-GMTAPVOTSA-N 1 1 233.302 2.267 10 0 BEAEMO C[N@H+]1CCCOC[C@@H]1c1ccc(F)cc1 ZINC000616599986 350778745 /nfs/dbraw/zinc/77/87/45/350778745.db2.gz VBDSOHZCWXTQEN-GFCCVEGCSA-N 1 1 209.264 2.219 10 0 BEAEMO CC(C)[N@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616600549 350780619 /nfs/dbraw/zinc/78/06/19/350780619.db2.gz DSKKHLIFGXGJRE-NSHDSACASA-N 1 1 207.321 2.388 10 0 BEAEMO CC(C)[N@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616601095 350781750 /nfs/dbraw/zinc/78/17/50/350781750.db2.gz JEZOKGBAOGAKFR-NSHDSACASA-N 1 1 207.321 2.388 10 0 BEAEMO CC[N@@H+]1CCOC[C@@H]1c1cccc2nnccc21 ZINC000616601941 350790064 /nfs/dbraw/zinc/79/00/64/350790064.db2.gz QLNBANKIFZAGEA-CQSZACIVSA-N 1 1 243.310 2.023 10 0 BEAEMO CC[N@H+]1CCOC[C@@H]1c1cccc2nnccc21 ZINC000616601941 350790067 /nfs/dbraw/zinc/79/00/67/350790067.db2.gz QLNBANKIFZAGEA-CQSZACIVSA-N 1 1 243.310 2.023 10 0 BEAEMO CC(C)[N@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616602265 350790777 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C[N@@H+]1[C@@H]2CC[C@H]1CC[C@@]2(N)c1ccccc1 ZINC000091691015 369016314 /nfs/dbraw/zinc/01/63/14/369016314.db2.gz RGVBTQKERKUAGP-BFHYXJOUSA-N 1 1 216.328 2.097 10 0 BEAEMO CN1[C@@H]2CC[C@H]1CC[C@@]2([NH3+])c1ccccc1 ZINC000091691015 369016316 /nfs/dbraw/zinc/01/63/16/369016316.db2.gz RGVBTQKERKUAGP-BFHYXJOUSA-N 1 1 216.328 2.097 10 0 BEAEMO CC[N@H+]1CCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616614097 369102913 /nfs/dbraw/zinc/10/29/13/369102913.db2.gz IGWQWZWFKPLRQV-CYBMUJFWSA-N 1 1 232.327 2.332 10 0 BEAEMO CN1c2ccccc2NC[C@@H]1c1cnc[nH]1 ZINC000616586694 369096417 /nfs/dbraw/zinc/09/64/17/369096417.db2.gz RLAJQGVCKHAACB-GFCCVEGCSA-N 1 1 214.272 2.013 10 0 BEAEMO CC[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)OC ZINC000459780461 203366012 /nfs/dbraw/zinc/36/60/12/203366012.db2.gz VMDCZTQNYJNUBM-LLVKDONJSA-N 1 1 225.332 2.250 10 0 BEAEMO c1cc(C[NH2+]Cc2ccnc3ccccc23)n[nH]1 ZINC000111753959 370173985 /nfs/dbraw/zinc/17/39/85/370173985.db2.gz QKAHYBRADXQFMY-UHFFFAOYSA-N 1 1 238.294 2.248 10 0 BEAEMO [NH3+]Cc1ncc(-c2ccc(F)c(F)c2)o1 ZINC000036158655 181502773 /nfs/dbraw/zinc/50/27/73/181502773.db2.gz MNXRVHXWVQDIEU-UHFFFAOYSA-N 1 1 210.183 2.079 10 0 BEAEMO [NH3+][C@H](c1noc(C(F)(F)F)n1)c1ccccc1 ZINC000036764868 181565566 /nfs/dbraw/zinc/56/55/66/181565566.db2.gz HVPHNJOPOUKRET-ZETCQYMHSA-N 1 1 243.188 2.137 10 0 BEAEMO C[C@@H]1C[N@@H+]([C@H]2CCCCC2=O)C[C@H](C)S1 ZINC000226672469 371721478 /nfs/dbraw/zinc/72/14/78/371721478.db2.gz ADQRJWPNYLXASP-AXFHLTTASA-N 1 1 227.373 2.324 10 0 BEAEMO C[C@H](CC(N)=S)[N@H+]1CCCCC[C@@H]1C ZINC000226733527 371732368 /nfs/dbraw/zinc/73/23/68/371732368.db2.gz JVXSQGNGZBHOHZ-VHSXEESVSA-N 1 1 214.378 2.316 10 0 BEAEMO CC[C@H](C(N)=S)[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000131988014 371732513 /nfs/dbraw/zinc/73/25/13/371732513.db2.gz KIMYANVRAWRQBF-IVZWLZJFSA-N 1 1 214.378 2.029 10 0 BEAEMO CC(=O)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000216129006 371702366 /nfs/dbraw/zinc/70/23/66/371702366.db2.gz AFHZOGSYMSTZRH-ATPLWMGHSA-N 1 1 201.697 2.040 10 0 BEAEMO Cc1sccc1[C@@H]([NH3+])C(C)(C)N(C)C ZINC000227795112 371939625 /nfs/dbraw/zinc/93/96/25/371939625.db2.gz NVKJAXJTORGZGL-SNVBAGLBSA-N 1 1 212.362 2.397 10 0 BEAEMO C[N@@H+]1CCc2c(N)c(Br)sc2C1 ZINC000132954903 371958474 /nfs/dbraw/zinc/95/84/74/371958474.db2.gz UGTWYOQEBGPSLP-UHFFFAOYSA-N 1 1 247.161 2.081 10 0 BEAEMO C[N@H+]1CCc2c(N)c(Br)sc2C1 ZINC000132954903 371958482 /nfs/dbraw/zinc/95/84/82/371958482.db2.gz UGTWYOQEBGPSLP-UHFFFAOYSA-N 1 1 247.161 2.081 10 0 BEAEMO CCc1nc([C@H]2CSCC[NH2+]2)cs1 ZINC000133503409 372065983 /nfs/dbraw/zinc/06/59/83/372065983.db2.gz GGVBMFALHQBILT-SSDOTTSWSA-N 1 1 214.359 2.083 10 0 BEAEMO C[N@H+]1CCC[C@](O)(c2ccc(Cl)s2)C1 ZINC000134349171 372198450 /nfs/dbraw/zinc/19/84/50/372198450.db2.gz AQSWRDVDUWQJKC-SNVBAGLBSA-N 1 1 231.748 2.315 10 0 BEAEMO C[C@H](Cc1[nH]cc[nH+]1)O[C@@H]1C[C@H](C)CCC1=O ZINC000428190179 373011863 /nfs/dbraw/zinc/01/18/63/373011863.db2.gz XMRDPOXURYNPMM-CKYFFXLPSA-N 1 1 236.315 2.115 10 0 BEAEMO CCc1[nH+]ccn1-c1cccc(C=O)c1 ZINC000068983549 373102432 /nfs/dbraw/zinc/10/24/32/373102432.db2.gz WHSXCMAQXJFVBU-UHFFFAOYSA-N 1 1 200.241 2.247 10 0 BEAEMO [NH3+][C@@H](CNCc1ccccc1)c1ccccc1 ZINC000040409711 373241060 /nfs/dbraw/zinc/24/10/60/373241060.db2.gz LAFZPOPTZGZPHA-HNNXBMFYSA-N 1 1 226.323 2.476 10 0 BEAEMO CCOCCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128458630 170375352 /nfs/dbraw/zinc/37/53/52/170375352.db2.gz MSFZASUBFRKNLH-ZIAGYGMSSA-N 1 1 241.375 2.040 10 0 BEAEMO OC1(CC[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000336549861 183016054 /nfs/dbraw/zinc/01/60/54/183016054.db2.gz UFWIKXXIUVQUAZ-NWDGAFQWSA-N 1 1 209.333 2.166 10 0 BEAEMO OCC[N@@H+](C[C@@H]1Cc2ccccc21)C1CCC1 ZINC000228523083 183067908 /nfs/dbraw/zinc/06/79/08/183067908.db2.gz NYEPHYJEEKANDG-ZDUSSCGKSA-N 1 1 231.339 2.173 10 0 BEAEMO OCC[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000050103907 183069585 /nfs/dbraw/zinc/06/95/85/183069585.db2.gz TUBPXNFLUDUISQ-UHFFFAOYSA-N 1 1 242.322 2.192 10 0 BEAEMO OC[C@@H]1CCCC[N@@H+](CCc2ccccc2)C1 ZINC000374035068 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183228688 /nfs/dbraw/zinc/22/86/88/183228688.db2.gz SURRWMAEBICFRD-UONOGXRCSA-N 1 1 242.322 2.433 10 0 BEAEMO CCC[N@H+](C)[C@H](c1cccc(OC)c1)[C@@H](C)N ZINC000043026297 169088166 /nfs/dbraw/zinc/08/81/66/169088166.db2.gz XGDWLSOZCWLURB-RISCZKNCSA-N 1 1 236.359 2.425 10 0 BEAEMO CCC[N@@H+](C)[C@H](c1cccc(OC)c1)[C@@H](C)N ZINC000043026297 169088167 /nfs/dbraw/zinc/08/81/67/169088167.db2.gz XGDWLSOZCWLURB-RISCZKNCSA-N 1 1 236.359 2.425 10 0 BEAEMO CCC[N@@H+](C1CC1)[C@@H]1COc2ccccc2[C@@H]1N ZINC000037097172 169091287 /nfs/dbraw/zinc/09/12/87/169091287.db2.gz MPEKAABXLNKUBC-HIFRSBDPSA-N 1 1 246.354 2.322 10 0 BEAEMO CCCN(C1CC1)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037097172 169091289 /nfs/dbraw/zinc/09/12/89/169091289.db2.gz MPEKAABXLNKUBC-HIFRSBDPSA-N 1 1 246.354 2.322 10 0 BEAEMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1ccncc1)CC2 ZINC000019405213 183253535 /nfs/dbraw/zinc/25/35/35/183253535.db2.gz DFQPELNVIXKUCR-CABCVRRESA-N 1 1 246.354 2.209 10 0 BEAEMO O[C@H]1CCCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000052006959 183233482 /nfs/dbraw/zinc/23/34/82/183233482.db2.gz JRJWRJABFIKMNP-NEPJUHHUSA-N 1 1 231.299 2.278 10 0 BEAEMO CCC[N@@H+](CC(C)C)[C@@](C)(CC)CN ZINC000050092166 169106183 /nfs/dbraw/zinc/10/61/83/169106183.db2.gz XEBKQWWNSDZBRX-LBPRGKRZSA-N 1 1 200.370 2.482 10 0 BEAEMO CCC[NH+](CCC)[C@@H](CN)c1ccco1 ZINC000019795927 169151199 /nfs/dbraw/zinc/15/11/99/169151199.db2.gz GXWBYYWMBFLSPJ-NSHDSACASA-N 1 1 210.321 2.401 10 0 BEAEMO CCC[N@@H+](CC)Cc1nc2cc(N)ccc2[nH]1 ZINC000037273282 169131121 /nfs/dbraw/zinc/13/11/21/169131121.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 1 1 232.331 2.377 10 0 BEAEMO CCC[N@H+](CC)Cc1nc2ccc(N)cc2[nH]1 ZINC000037273282 169131122 /nfs/dbraw/zinc/13/11/22/169131122.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 1 1 232.331 2.377 10 0 BEAEMO CCC[N@@H+](CC)Cc1nc2ccc(N)cc2[nH]1 ZINC000037273282 169131123 /nfs/dbraw/zinc/13/11/23/169131123.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 1 1 232.331 2.377 10 0 BEAEMO CCCN(CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000037094706 169132340 /nfs/dbraw/zinc/13/23/40/169132340.db2.gz YKXGOJIXZBXEOI-CQSZACIVSA-N 1 1 236.359 2.427 10 0 BEAEMO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccncc1 ZINC000020140178 183282198 /nfs/dbraw/zinc/28/21/98/183282198.db2.gz MTAXRWZBWSOOLP-CYBMUJFWSA-N 1 1 242.278 2.011 10 0 BEAEMO CCC[N@@H+](CCCCO)C[C@@H]1CCCCO1 ZINC000106867032 169153452 /nfs/dbraw/zinc/15/34/52/169153452.db2.gz AIRZPLOEIJEVKK-ZDUSSCGKSA-N 1 1 229.364 2.040 10 0 BEAEMO Oc1cccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000375702258 183288987 /nfs/dbraw/zinc/28/89/87/183288987.db2.gz BGQAARZTMUUNOV-GXTWGEPZSA-N 1 1 233.311 2.003 10 0 BEAEMO CCCN(c1[nH+]cc(N)cc1C)C1CC1 ZINC000052812603 169184022 /nfs/dbraw/zinc/18/40/22/169184022.db2.gz ADBQCGMILQGIHX-UHFFFAOYSA-N 1 1 205.305 2.351 10 0 BEAEMO CCC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062570975 169185489 /nfs/dbraw/zinc/18/54/89/169185489.db2.gz BYLSYDYBPGWZQP-LBPRGKRZSA-N 1 1 212.381 2.495 10 0 BEAEMO CCCN1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050368982 169189521 /nfs/dbraw/zinc/18/95/21/169189521.db2.gz VOOSSYBQRGGZPM-KGLIPLIRSA-N 1 1 240.391 2.018 10 0 BEAEMO CCC[N@H+]1CCCN(c2cc(C)nc(C)n2)CC1 ZINC000301399095 169193307 /nfs/dbraw/zinc/19/33/07/169193307.db2.gz OUAVHQJRLUOEIC-UHFFFAOYSA-N 1 1 248.374 2.016 10 0 BEAEMO CCC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901170 169198451 /nfs/dbraw/zinc/19/84/51/169198451.db2.gz HFYIUIFULQGSOE-LBPRGKRZSA-N 1 1 207.321 2.238 10 0 BEAEMO CCC[N@H+]1CCc2cccc(O)c2CC1 ZINC000013728497 169208180 /nfs/dbraw/zinc/20/81/80/169208180.db2.gz HBPJBRCEAWPEIH-UHFFFAOYSA-N 1 1 205.301 2.203 10 0 BEAEMO CCC[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000062570989 169210099 /nfs/dbraw/zinc/21/00/99/169210099.db2.gz PLTWXKQMRDVYQE-QWHCGFSZSA-N 1 1 212.381 2.351 10 0 BEAEMO CCC[N@H+]1C[C@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062615699 169210159 /nfs/dbraw/zinc/21/01/59/169210159.db2.gz UJQQSFKNOXNBGO-ZFWWWQNUSA-N 1 1 232.371 2.301 10 0 BEAEMO CCCN1C[C@H](C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062615699 169210161 /nfs/dbraw/zinc/21/01/61/169210161.db2.gz UJQQSFKNOXNBGO-ZFWWWQNUSA-N 1 1 232.371 2.301 10 0 BEAEMO c1cc2c([C@H]3CCC[NH2+]C3)[nH]ccc-2n1 ZINC000074211614 183363334 /nfs/dbraw/zinc/36/33/34/183363334.db2.gz MWCMLSIEMSZLRK-VIFPVBQESA-N 1 1 201.273 2.030 10 0 BEAEMO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCOC ZINC000054601528 169255231 /nfs/dbraw/zinc/25/52/31/169255231.db2.gz XYGLFYLLQXMNNU-AGUYFDCRSA-N 1 1 240.391 2.018 10 0 BEAEMO c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)cc2c1OCC2 ZINC000061982358 183369757 /nfs/dbraw/zinc/36/97/57/183369757.db2.gz XXLJAIOPNQTTGN-CYBMUJFWSA-N 1 1 244.338 2.270 10 0 BEAEMO c1ccc(C2(N3CC[NH2+]CC3)CCCC2)cc1 ZINC000071535006 183389239 /nfs/dbraw/zinc/38/92/39/183389239.db2.gz KLDKYCLJFGCDMQ-UHFFFAOYSA-N 1 1 230.355 2.361 10 0 BEAEMO c1ccc(C[N@H+]2CC3(CC3)C3(C2)OCCO3)cc1 ZINC000095830583 183396108 /nfs/dbraw/zinc/39/61/08/183396108.db2.gz OWIKXZCJZUVNPT-UHFFFAOYSA-N 1 1 245.322 2.026 10 0 BEAEMO CCCOc1ccc([C@@H](CN)[N@H+](C)CC)cc1 ZINC000020226548 169320789 /nfs/dbraw/zinc/32/07/89/169320789.db2.gz YASQBVDKVBYQTN-CQSZACIVSA-N 1 1 236.359 2.427 10 0 BEAEMO CCCOc1ccc([C@@H](CN)[N@@H+](C)CC)cc1 ZINC000020226548 169320791 /nfs/dbraw/zinc/32/07/91/169320791.db2.gz YASQBVDKVBYQTN-CQSZACIVSA-N 1 1 236.359 2.427 10 0 BEAEMO CCCOc1ccc([C@H]([NH3+])c2ncccn2)cc1 ZINC000055263613 169322245 /nfs/dbraw/zinc/32/22/45/169322245.db2.gz LYMHNINPXUDOPJ-ZDUSSCGKSA-N 1 1 243.310 2.314 10 0 BEAEMO CCC[C@@H](CN)[N@H+](C)Cc1ccccc1 ZINC000019388320 169384162 /nfs/dbraw/zinc/38/41/62/169384162.db2.gz RXXFRPYWBFOLQN-ZDUSSCGKSA-N 1 1 206.333 2.246 10 0 BEAEMO CCC[C@@H](CN)[N@@H+](C)Cc1ccccc1 ZINC000019388320 169384163 /nfs/dbraw/zinc/38/41/63/169384163.db2.gz RXXFRPYWBFOLQN-ZDUSSCGKSA-N 1 1 206.333 2.246 10 0 BEAEMO CCC[C@@H]([NH3+])c1nc2ccc(OC)cc2[nH]1 ZINC000071743294 169393987 /nfs/dbraw/zinc/39/39/87/169393987.db2.gz VBCKZKRLYCATGQ-SECBINFHSA-N 1 1 219.288 2.371 10 0 BEAEMO c1ccc2cc([C@@]34C[NH2+]C[C@@H](CO3)O4)ccc2c1 ZINC000000001768 383818009 /nfs/dbraw/zinc/81/80/09/383818009.db2.gz CQBDDBLIDNKCRV-GJZGRUSLSA-N 1 1 241.290 2.011 10 0 in-man BEAEMO C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH3+] ZINC000035700750 383870746 /nfs/dbraw/zinc/87/07/46/383870746.db2.gz LSELUBOXNJERCJ-UHFFFAOYSA-N 1 1 230.311 2.370 10 0 BEAEMO CN(Cc1ccco1)Cc1ccccc1C[NH3+] ZINC000035700750 383870753 /nfs/dbraw/zinc/87/07/53/383870753.db2.gz LSELUBOXNJERCJ-UHFFFAOYSA-N 1 1 230.311 2.370 10 0 BEAEMO CCc1cc(N[C@@H](C)[C@H]2CCCO2)nc(C)[nH+]1 ZINC000088058393 383878216 /nfs/dbraw/zinc/87/82/16/383878216.db2.gz MDQACBYULZRCBP-JOYOIKCWSA-N 1 1 235.331 2.327 10 0 BEAEMO Cc1n[nH]c2c1[C@@H]([NH3+])C[C@H](c1ccccc1O)C2 ZINC000072415405 384104732 /nfs/dbraw/zinc/10/47/32/384104732.db2.gz YYVLOIDHCYNDKC-ONGXEEELSA-N 1 1 243.310 2.154 10 0 BEAEMO C[N@@H+](C[C@@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224173 384196194 /nfs/dbraw/zinc/19/61/94/384196194.db2.gz QFMLXROKIICHIT-AWEZNQCLSA-N 1 1 249.354 2.003 10 0 BEAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC1(C)C ZINC000004203353 384234193 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385502944 /nfs/dbraw/zinc/50/29/44/385502944.db2.gz BLVDYTLJEBPLTA-GFCCVEGCSA-N 1 1 239.388 2.191 10 0 BEAEMO c1ncn(C[C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171746509 385513968 /nfs/dbraw/zinc/51/39/68/385513968.db2.gz MSHIHNRAEQTSOW-KGLIPLIRSA-N 1 1 246.358 2.099 10 0 BEAEMO CCC[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCCCO1 ZINC000106866781 385535566 /nfs/dbraw/zinc/53/55/66/385535566.db2.gz JOQCNHLPCTXWJB-KGLIPLIRSA-N 1 1 241.375 2.447 10 0 BEAEMO Cn1cc([C@H]2CC[N@H+]([C@H]3C=CCCC3)C2)cn1 ZINC000172057702 385544443 /nfs/dbraw/zinc/54/44/43/385544443.db2.gz WSRVHQJUPLIXGZ-JSGCOSHPSA-N 1 1 231.343 2.318 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000259558264 385582429 /nfs/dbraw/zinc/58/24/29/385582429.db2.gz SBZCNNFGKHCJAB-CQSZACIVSA-N 1 1 219.328 2.031 10 0 BEAEMO C[N@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000259558261 385582784 /nfs/dbraw/zinc/58/27/84/385582784.db2.gz SBZCNNFGKHCJAB-AWEZNQCLSA-N 1 1 219.328 2.031 10 0 BEAEMO N[C@@H](CC[NH3+])c1ccc(Cl)cc1Cl ZINC000259566476 385584799 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CC[C@H]1CN(C2Cc3ccccc3C2)[C@H](C)C[NH2+]1 ZINC000083373149 171654611 /nfs/dbraw/zinc/65/46/11/171654611.db2.gz UWXTZAZTRMZVLV-DOMZBBRYSA-N 1 1 244.382 2.226 10 0 BEAEMO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(CC)(CC)CO ZINC000051295434 171672601 /nfs/dbraw/zinc/67/26/01/171672601.db2.gz GNEHJWDCVCXBFJ-STQMWFEESA-N 1 1 243.391 2.284 10 0 BEAEMO CCc1[nH+]c2c(N)ccc(Cl)n2c1C ZINC000074374740 172008950 /nfs/dbraw/zinc/00/89/50/172008950.db2.gz KRCDOYBKZDYHNM-UHFFFAOYSA-N 1 1 209.680 2.441 10 0 BEAEMO CCc1[nH+]ccn1Cc1cccc(N)c1C ZINC000042419597 172027464 /nfs/dbraw/zinc/02/74/64/172027464.db2.gz ZXIICXITBFBKEZ-UHFFFAOYSA-N 1 1 215.300 2.384 10 0 BEAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(C)=O)C1 ZINC000106217681 172028975 /nfs/dbraw/zinc/02/89/75/172028975.db2.gz NRUDSSFHPNHHAF-CYBMUJFWSA-N 1 1 249.358 2.062 10 0 BEAEMO CCc1noc([C@H](C)[NH2+]C2(C(C)C)CC2)n1 ZINC000339518066 172092368 /nfs/dbraw/zinc/09/23/68/172092368.db2.gz YRGLXTSIONITCD-VIFPVBQESA-N 1 1 223.320 2.471 10 0 BEAEMO CCn1cccc1CNCC[NH+]1CCC(C)CC1 ZINC000091127447 172208312 /nfs/dbraw/zinc/20/83/12/172208312.db2.gz YHJFIUFWOCVZEU-UHFFFAOYSA-N 1 1 249.402 2.330 10 0 BEAEMO CCn1cnnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120175496 172239893 /nfs/dbraw/zinc/23/98/93/172239893.db2.gz STYVQAMPMUUPCJ-GFCCVEGCSA-N 1 1 248.374 2.420 10 0 BEAEMO C[N@@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1O ZINC000104198628 172661452 /nfs/dbraw/zinc/66/14/52/172661452.db2.gz QHELMOBHVDVHTE-KBPBESRZSA-N 1 1 241.375 2.038 10 0 BEAEMO C[N@H+]1CCC[C@@H](Nc2cnnc3ccccc32)C1 ZINC000104119452 173022097 /nfs/dbraw/zinc/02/20/97/173022097.db2.gz RVHNYBXFUKSZOU-LLVKDONJSA-N 1 1 242.326 2.136 10 0 BEAEMO C[N@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072187553 173022543 /nfs/dbraw/zinc/02/25/43/173022543.db2.gz AXWBMIPPHZLKTN-LLVKDONJSA-N 1 1 215.300 2.324 10 0 BEAEMO C[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355774 173036174 /nfs/dbraw/zinc/03/61/74/173036174.db2.gz AXPBIJQATGCDGD-CYBMUJFWSA-N 1 1 240.310 2.305 10 0 BEAEMO CN1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646905 173117923 /nfs/dbraw/zinc/11/79/23/173117923.db2.gz CEILECQWANEAAE-XJKSGUPXSA-N 1 1 244.382 2.085 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2F)C1 ZINC000061984658 173125196 /nfs/dbraw/zinc/12/51/96/173125196.db2.gz WAACKVUESJHXJW-SECBINFHSA-N 1 1 212.243 2.081 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2ccc(Cl)cc2)C1 ZINC000061984638 173125638 /nfs/dbraw/zinc/12/56/38/173125638.db2.gz LVFARQMBEKPLTC-LLVKDONJSA-N 1 1 210.708 2.456 10 0 BEAEMO C[N@H+]1CC[C@@H](Nc2cccc(Cl)c2)C1 ZINC000061984634 173126458 /nfs/dbraw/zinc/12/64/58/173126458.db2.gz HKEUUDWVPNNXIJ-LLVKDONJSA-N 1 1 210.708 2.456 10 0 BEAEMO C[N@H+]1CC[C@@H](Oc2cc(N)ccc2Cl)C1 ZINC000066347700 173127580 /nfs/dbraw/zinc/12/75/80/173127580.db2.gz SXOQPNTZRMVGBT-SECBINFHSA-N 1 1 226.707 2.005 10 0 BEAEMO C[N@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 ZINC000000016077 173133296 /nfs/dbraw/zinc/13/32/96/173133296.db2.gz YASBOGFWAMXINH-TZMCWYRMSA-N 1 1 228.339 2.098 10 0 in-vitro BEAEMO CN1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000037646904 173147692 /nfs/dbraw/zinc/14/76/92/173147692.db2.gz CEILECQWANEAAE-CZUORRHYSA-N 1 1 244.382 2.085 10 0 BEAEMO C[N@H+]1CC[C@](O)(c2cccc3ccccc32)C1 ZINC000061987198 173166095 /nfs/dbraw/zinc/16/60/95/173166095.db2.gz HBMKNIIYEZHSLK-OAHLLOKOSA-N 1 1 227.307 2.363 10 0 BEAEMO C[N@H+]1CCc2nc(-c3cccc(N)c3)sc2C1 ZINC000036912354 173174943 /nfs/dbraw/zinc/17/49/43/173174943.db2.gz ZFDLAHKCUDGEAT-UHFFFAOYSA-N 1 1 245.351 2.380 10 0 BEAEMO C[N@H+]1C[C@@H]2C[C@]2(c2ccc(F)c(F)c2)C1 ZINC000034894426 173189792 /nfs/dbraw/zinc/18/97/92/173189792.db2.gz WXIVKHRXEAQSCE-JOYOIKCWSA-N 1 1 209.239 2.168 10 0 BEAEMO C[N@H+]1Cc2ccccc2[C@@](O)(c2ccccc2)C1 ZINC000026378478 173202727 /nfs/dbraw/zinc/20/27/27/173202727.db2.gz KEVNEIPRCIYVOT-INIZCTEOSA-N 1 1 239.318 2.368 10 0 BEAEMO CNC(C)(C)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000061319751 173319712 /nfs/dbraw/zinc/31/97/12/173319712.db2.gz KXWAYMHUBREZGN-VXGBXAGGSA-N 1 1 212.381 2.495 10 0 BEAEMO CNC(C)(C)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000061319751 173319713 /nfs/dbraw/zinc/31/97/13/173319713.db2.gz KXWAYMHUBREZGN-VXGBXAGGSA-N 1 1 212.381 2.495 10 0 BEAEMO C[NH2+]C(C)(C)c1nc(Cc2ccccc2)no1 ZINC000061151311 173321050 /nfs/dbraw/zinc/32/10/50/173321050.db2.gz WFECGGNSCWSUQO-UHFFFAOYSA-N 1 1 231.299 2.115 10 0 BEAEMO C[NH2+]C1CCN(Cc2c(C)cccc2C)CC1 ZINC000130889670 173322912 /nfs/dbraw/zinc/32/29/12/173322912.db2.gz JXQGCKABQROYSM-UHFFFAOYSA-N 1 1 232.371 2.487 10 0 BEAEMO C[NH2+]CCOCc1ccc2nc(C3CC3)[nH]c2c1 ZINC000077399924 173356825 /nfs/dbraw/zinc/35/68/25/173356825.db2.gz YWLNRGVUNRSZNW-UHFFFAOYSA-N 1 1 245.326 2.176 10 0 BEAEMO CNC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000044412635 173377797 /nfs/dbraw/zinc/37/77/97/173377797.db2.gz IWCGFUHEHHQPPK-CYBMUJFWSA-N 1 1 210.365 2.251 10 0 BEAEMO CNC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000044412635 173377798 /nfs/dbraw/zinc/37/77/98/173377798.db2.gz IWCGFUHEHHQPPK-CYBMUJFWSA-N 1 1 210.365 2.251 10 0 BEAEMO CNCc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)on1 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CCN1CCC[C@H]1C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000193922995 644288566 /nfs/dbraw/zinc/28/85/66/644288566.db2.gz OLXKYYZDECEPKG-KBPBESRZSA-N 1 1 238.375 2.095 10 0 BEAEMO CCN1CCC[C@H]1C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000193922995 644288573 /nfs/dbraw/zinc/28/85/73/644288573.db2.gz OLXKYYZDECEPKG-KBPBESRZSA-N 1 1 238.375 2.095 10 0 BEAEMO C/C=C(\CC)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249115897 644715150 /nfs/dbraw/zinc/71/51/50/644715150.db2.gz RWMKVKZMMBBHDD-URFGDBDFSA-N 1 1 238.375 2.188 10 0 BEAEMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000094996565 644735177 /nfs/dbraw/zinc/73/51/77/644735177.db2.gz TYFAFSRZMGIZIQ-GXTWGEPZSA-N 1 1 247.338 2.236 10 0 BEAEMO CC(C)[C@@H]([NH3+])c1cc(F)c(O)c(F)c1 ZINC000095671648 644763588 /nfs/dbraw/zinc/76/35/88/644763588.db2.gz AEPONQWUNRTVOK-SECBINFHSA-N 1 1 201.216 2.326 10 0 BEAEMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC000251183615 644797027 /nfs/dbraw/zinc/79/70/27/644797027.db2.gz WVISGEPPIIOBFH-OCCSQVGLSA-N 1 1 247.338 2.236 10 0 BEAEMO C[C@H](C(N)=O)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000251526753 644807790 /nfs/dbraw/zinc/80/77/90/644807790.db2.gz LZERGYSUKJRHIJ-RKDXNWHRSA-N 1 1 240.734 2.207 10 0 BEAEMO [NH3+]Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000304395188 644900765 /nfs/dbraw/zinc/90/07/65/644900765.db2.gz AQFLKLRTILCNPT-UHFFFAOYSA-N 1 1 221.304 2.212 10 0 BEAEMO Cc1cccc([C@H](O)C[N@H+]2CC[C@H](F)C2)c1 ZINC000701713950 712027872 /nfs/dbraw/zinc/02/78/72/712027872.db2.gz RKVBDEBMYBPTGT-QWHCGFSZSA-N 1 1 223.291 2.072 10 0 BEAEMO C[C@H](C[N@@H+]1CC2CC1(CN)C2)C(C)(C)C ZINC000711184779 712288329 /nfs/dbraw/zinc/28/83/29/712288329.db2.gz RDTGCTZAKNKXCZ-XSRFYTQQSA-N 1 1 210.365 2.092 10 0 BEAEMO C[C@H](C[N@H+]1CC2CC1(CN)C2)C(C)(C)C ZINC000711184779 712288331 /nfs/dbraw/zinc/28/83/31/712288331.db2.gz RDTGCTZAKNKXCZ-XSRFYTQQSA-N 1 1 210.365 2.092 10 0 BEAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714322061 712482004 /nfs/dbraw/zinc/48/20/04/712482004.db2.gz ZESMHKAMXZPXEV-AGIUHOORSA-N 1 1 241.375 2.179 10 0 BEAEMO CC1(C[N@H+]2CC[C@@H](CCO)C2)CCCC1 ZINC000379855599 712617136 /nfs/dbraw/zinc/61/71/36/712617136.db2.gz BXNLDYXEUBDVDC-LBPRGKRZSA-N 1 1 211.349 2.271 10 0 BEAEMO CC1(C[N@H+]2CC[C@H](CCO)C2)CCCC1 ZINC000379855598 712617165 /nfs/dbraw/zinc/61/71/65/712617165.db2.gz BXNLDYXEUBDVDC-GFCCVEGCSA-N 1 1 211.349 2.271 10 0 BEAEMO C[C@H]1C[C@@H](O)C[N@@H+](CCCC(C)(F)F)C1 ZINC000718704689 712777926 /nfs/dbraw/zinc/77/79/26/712777926.db2.gz ROJWRKNMGOWPAI-VHSXEESVSA-N 1 1 221.291 2.125 10 0 BEAEMO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1CCCO ZINC000723116925 710726166 /nfs/dbraw/zinc/72/61/66/710726166.db2.gz WQFKEYKXQNUTHU-FRRDWIJNSA-N 1 1 211.349 2.269 10 0 BEAEMO CC1(C)C[C@H]1c1noc([C@H]([NH3+])CC(F)F)n1 ZINC000380583995 712901565 /nfs/dbraw/zinc/90/15/65/712901565.db2.gz QOTHROXVPOIPDS-NTSWFWBYSA-N 1 1 231.246 2.238 10 0 BEAEMO COC(=O)[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000723557229 711516894 /nfs/dbraw/zinc/51/68/94/711516894.db2.gz KUUPKUGTMKXVSX-CMPLNLGQSA-N 1 1 239.359 2.164 10 0 BEAEMO Cc1cnc(C[NH2+][C@H](C)c2ccnn2C)c(C)c1 ZINC000724059450 711558429 /nfs/dbraw/zinc/55/84/29/711558429.db2.gz XMEYJRXBHRQFNT-GFCCVEGCSA-N 1 1 244.342 2.283 10 0 BEAEMO Cc1nn(C)cc1C[NH2+]Cc1ncc(C)cc1C ZINC000724057455 711558489 /nfs/dbraw/zinc/55/84/89/711558489.db2.gz QZIKVFWOWHZXKE-UHFFFAOYSA-N 1 1 244.342 2.030 10 0 BEAEMO CO[C@@H](c1noc([C@@H]([NH3+])CC(C)C)n1)C1CC1 ZINC000130209285 711625391 /nfs/dbraw/zinc/62/53/91/711625391.db2.gz MPYFMEDVWXKTEC-VHSXEESVSA-N 1 1 239.319 2.213 10 0 BEAEMO Clc1ccc2c(N[C@H]3CNOC3)cc[nH+]c2c1 ZINC000722487792 711759535 /nfs/dbraw/zinc/75/95/35/711759535.db2.gz XXTWGAZRCIVYEG-VIFPVBQESA-N 1 1 249.701 2.204 10 0 BEAEMO Clc1ccc2c(N[C@@H]3CNOC3)cc[nH+]c2c1 ZINC000722487791 711759700 /nfs/dbraw/zinc/75/97/00/711759700.db2.gz XXTWGAZRCIVYEG-SECBINFHSA-N 1 1 249.701 2.204 10 0 BEAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NCc2ccoc2)C1 ZINC000228277475 711834434 /nfs/dbraw/zinc/83/44/34/711834434.db2.gz YWZJFIGLAITSNQ-WCQYABFASA-N 1 1 222.332 2.098 10 0 BEAEMO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccoc2)C1 ZINC000228277475 711834436 /nfs/dbraw/zinc/83/44/36/711834436.db2.gz YWZJFIGLAITSNQ-WCQYABFASA-N 1 1 222.332 2.098 10 0 BEAEMO C[C@@]1(C(F)(F)F)CC[N@@H+](CC2(O)CCC2)C1 ZINC000709024960 711976581 /nfs/dbraw/zinc/97/65/81/711976581.db2.gz DFNPVLULSLFQJZ-SECBINFHSA-N 1 1 237.265 2.176 10 0 BEAEMO Cc1cccc([C@H](O)C[N@H+]2CC[C@@H](F)C2)c1 ZINC000701713948 712027739 /nfs/dbraw/zinc/02/77/39/712027739.db2.gz RKVBDEBMYBPTGT-CHWSQXEVSA-N 1 1 223.291 2.072 10 0 BEAEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCSC(C)(C)C ZINC000705331307 712129072 /nfs/dbraw/zinc/12/90/72/712129072.db2.gz IAGLAVBLWPYFQG-GHMZBOCLSA-N 1 1 231.405 2.363 10 0 BEAEMO CC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708426687 712193955 /nfs/dbraw/zinc/19/39/55/712193955.db2.gz NMNUYFUQJLFPMF-CHWSQXEVSA-N 1 1 239.359 2.103 10 0 BEAEMO C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1cncc(F)c1 ZINC000710065935 712244180 /nfs/dbraw/zinc/24/41/80/712244180.db2.gz DFFMQEUBNFXQPM-ZJUUUORDSA-N 1 1 248.305 2.366 10 0 BEAEMO CC[C@](C)(O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710670321 712265700 /nfs/dbraw/zinc/26/57/00/712265700.db2.gz KTNFCNLVGVJTTJ-PWSUYJOCSA-N 1 1 240.372 2.093 10 0 BEAEMO C[C@](O)(C[N@H+]1CC[C@H](CF)C1)c1ccccc1 ZINC000711466156 712302200 /nfs/dbraw/zinc/30/22/00/712302200.db2.gz DYSBBPQKKXPZSO-OCCSQVGLSA-N 1 1 237.318 2.186 10 0 BEAEMO C=C/C=C\CC[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000713748920 712471091 /nfs/dbraw/zinc/47/10/91/712471091.db2.gz SPAMVGNHRFMPCW-RXNFCKPNSA-N 1 1 223.316 2.004 10 0 BEAEMO COCC1CC([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000713984604 712476120 /nfs/dbraw/zinc/47/61/20/712476120.db2.gz JURWHBIQUVZGGV-UHFFFAOYSA-N 1 1 245.326 2.078 10 0 BEAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715535694 712526732 /nfs/dbraw/zinc/52/67/32/712526732.db2.gz QVQCNOSAPNEUOB-ASEORRQLSA-N 1 1 223.360 2.268 10 0 BEAEMO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cn(C)nn1 ZINC000715887729 712540056 /nfs/dbraw/zinc/54/00/56/712540056.db2.gz CCFPCXRBRNHNSC-BDAKNGLRSA-N 1 1 236.344 2.288 10 0 BEAEMO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1cccs1 ZINC000715887731 712540271 /nfs/dbraw/zinc/54/02/71/712540271.db2.gz CCFPCXRBRNHNSC-DTWKUNHWSA-N 1 1 236.344 2.288 10 0 BEAEMO CN(CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000037478497 712648307 /nfs/dbraw/zinc/64/83/07/712648307.db2.gz XUXAOKKYWJRTCR-UHFFFAOYSA-N 1 1 218.344 2.261 10 0 BEAEMO Cc1coc(C[NH2+]Cc2ccccn2)c1 ZINC000718032138 712737215 /nfs/dbraw/zinc/73/72/15/712737215.db2.gz USBPHEMFXNXHFM-UHFFFAOYSA-N 1 1 202.257 2.273 10 0 BEAEMO C[C@H]1[C@@H](O)CCC[N@H+]1CCCC(C)(F)F ZINC000718686602 712777263 /nfs/dbraw/zinc/77/72/63/712777263.db2.gz IAGVCMDBXFOCBJ-UWVGGRQHSA-N 1 1 221.291 2.267 10 0 BEAEMO Cc1cccc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721072760 712890074 /nfs/dbraw/zinc/89/00/74/712890074.db2.gz ISWOLVATZZNZOH-ZYHUDNBSSA-N 1 1 219.332 2.048 10 0 BEAEMO C[C@H]1CCC[C@@H]([N@@H+](C)CN2CCOC2=S)C1 ZINC000124599071 960746743 /nfs/dbraw/zinc/74/67/43/960746743.db2.gz BFOPEMZMJMBCAG-WDEREUQCSA-N 1 1 242.388 2.072 10 0 BEAEMO CN1CCC[C@H](C[NH2+]CCCC(F)(F)F)C1 ZINC000123591965 961362366 /nfs/dbraw/zinc/36/23/66/961362366.db2.gz KDWUBBSIAJCQIP-SNVBAGLBSA-N 1 1 238.297 2.260 10 0 BEAEMO COc1ccccc1CNC[C@H]1CCCC[N@@H+]1C ZINC000044561933 1171393378 /nfs/dbraw/zinc/39/33/78/1171393378.db2.gz IZZPCQATYGBOLA-CQSZACIVSA-N 1 1 248.370 2.269 10 0 BEAEMO COc1ccccc1CNC[C@H]1CCCC[N@H+]1C ZINC000044561933 1171393384 /nfs/dbraw/zinc/39/33/84/1171393384.db2.gz IZZPCQATYGBOLA-CQSZACIVSA-N 1 1 248.370 2.269 10 0 BEAEMO CC[C@H]1CCCC[N@H+]1Cc1cccnc1N ZINC000052719331 1171983330 /nfs/dbraw/zinc/98/33/30/1171983330.db2.gz JJJYRXWRNMNCDU-LBPRGKRZSA-N 1 1 219.332 2.428 10 0 BEAEMO CC(C)[N@@H+]1CC[C@@H](N)C12CCC(C)CC2 ZINC000685954159 538899083 /nfs/dbraw/zinc/89/90/83/538899083.db2.gz LNZDWRJOCUOREM-OTTFEQOBSA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@@H](N)C12CCC(C)CC2 ZINC000685954159 538899085 /nfs/dbraw/zinc/89/90/85/538899085.db2.gz LNZDWRJOCUOREM-OTTFEQOBSA-N 1 1 210.365 2.377 10 0 BEAEMO CC[N@H+]1CCC(=O)[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955094 538900243 /nfs/dbraw/zinc/90/02/43/538900243.db2.gz SUYQGVMPHXQSPK-NTZNESFSSA-N 1 1 209.333 2.476 10 0 BEAEMO CC(C)[NH2+]CC(F)(F)COCC1CC1 ZINC000685955850 538901782 /nfs/dbraw/zinc/90/17/82/538901782.db2.gz FONAHPXARWHTEF-UHFFFAOYSA-N 1 1 207.264 2.046 10 0 BEAEMO CC[C@H](C)OCC(F)(F)C[NH2+]C(C)C ZINC000685955843 538901941 /nfs/dbraw/zinc/90/19/41/538901941.db2.gz FEFAWBRBYJJDLV-VIFPVBQESA-N 1 1 209.280 2.435 10 0 BEAEMO CC[C@H](C)OCC(F)(F)C[NH2+]C1CC1 ZINC000685956070 538902080 /nfs/dbraw/zinc/90/20/80/538902080.db2.gz WKJQFNAISYMFIH-QMMMGPOBSA-N 1 1 207.264 2.189 10 0 BEAEMO C[NH2+]CC(F)(F)COCCC1CCC1 ZINC000685956377 538902253 /nfs/dbraw/zinc/90/22/53/538902253.db2.gz CTEKJKPTDNNOSR-UHFFFAOYSA-N 1 1 207.264 2.048 10 0 BEAEMO C[NH2+]CC(F)(F)COCc1ccccc1 ZINC000685956919 538903036 /nfs/dbraw/zinc/90/30/36/538903036.db2.gz MFZMTSBQNSMZRG-UHFFFAOYSA-N 1 1 215.243 2.058 10 0 BEAEMO CCC[NH2+]CC(F)(F)CO[C@@H](C)CC ZINC000685958266 538905330 /nfs/dbraw/zinc/90/53/30/538905330.db2.gz VWKKDYBDNVGFKC-VIFPVBQESA-N 1 1 209.280 2.436 10 0 BEAEMO CC(C)N1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685953003 538896317 /nfs/dbraw/zinc/89/63/17/538896317.db2.gz FHOVGWHXAYXIOA-SNVBAGLBSA-N 1 1 232.318 2.376 10 0 BEAEMO CC(C)[N@@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685953003 538896318 /nfs/dbraw/zinc/89/63/18/538896318.db2.gz FHOVGWHXAYXIOA-SNVBAGLBSA-N 1 1 232.318 2.376 10 0 BEAEMO CC(C)[N@H+]1CC[C@@H](N)C12CCC(F)(F)CC2 ZINC000685953003 538896319 /nfs/dbraw/zinc/89/63/19/538896319.db2.gz FHOVGWHXAYXIOA-SNVBAGLBSA-N 1 1 232.318 2.376 10 0 BEAEMO CC[N@@H+]1CC[C@H](N)C12C[C@@H](C)C[C@H](C)C2 ZINC000685953105 538897151 /nfs/dbraw/zinc/89/71/51/538897151.db2.gz GBUWERBLNYSNPA-SRVKXCTJSA-N 1 1 210.365 2.234 10 0 BEAEMO CC[N@H+]1CC[C@H](N)C12C[C@@H](C)C[C@H](C)C2 ZINC000685953105 538897153 /nfs/dbraw/zinc/89/71/53/538897153.db2.gz GBUWERBLNYSNPA-SRVKXCTJSA-N 1 1 210.365 2.234 10 0 BEAEMO CCC(CC)(CN)C[N@H+](CCOC)CC(C)C ZINC000051251277 168323024 /nfs/dbraw/zinc/32/30/24/168323024.db2.gz ZYVZZLPWFZGJQV-UHFFFAOYSA-N 1 1 244.423 2.356 10 0 BEAEMO CCC(CC)(CN)C[N@@H+](CCOC)CC(C)C ZINC000051251277 168323025 /nfs/dbraw/zinc/32/30/25/168323025.db2.gz ZYVZZLPWFZGJQV-UHFFFAOYSA-N 1 1 244.423 2.356 10 0 BEAEMO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000378712576 346812484 /nfs/dbraw/zinc/81/24/84/346812484.db2.gz VDUPWUSEVQNAQH-YIYPIFLZSA-N 1 1 224.392 2.495 10 0 BEAEMO c1n[nH]cc1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000616612178 349476632 /nfs/dbraw/zinc/47/66/32/349476632.db2.gz UZKRTWMGIUCCJM-CYBMUJFWSA-N 1 1 227.311 2.399 10 0 BEAEMO Cc1cc(CNC[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000049686694 178021872 /nfs/dbraw/zinc/02/18/72/178021872.db2.gz XIDDBEJZAZIJHQ-LBPRGKRZSA-N 1 1 238.400 2.406 10 0 BEAEMO Cc1cc(CNC[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000049686694 178021873 /nfs/dbraw/zinc/02/18/73/178021873.db2.gz XIDDBEJZAZIJHQ-LBPRGKRZSA-N 1 1 238.400 2.406 10 0 BEAEMO C[N@@H+](Cc1nccs1)C[C@H]1CCC[C@@H](O)C1 ZINC000390155751 398164527 /nfs/dbraw/zinc/16/45/27/398164527.db2.gz WMNNTZXVYJAHBW-WDEREUQCSA-N 1 1 240.372 2.126 10 0 BEAEMO C[N@H+](Cc1nccs1)C[C@H]1CCC[C@@H](O)C1 ZINC000390155751 398164530 /nfs/dbraw/zinc/16/45/30/398164530.db2.gz WMNNTZXVYJAHBW-WDEREUQCSA-N 1 1 240.372 2.126 10 0 BEAEMO Cc1cc(N(C)C)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000061985060 178095999 /nfs/dbraw/zinc/09/59/99/178095999.db2.gz XYVMZEUJMLIHIM-LBPRGKRZSA-N 1 1 233.359 2.177 10 0 BEAEMO Cc1csc(CN(C)c2cc(C)[nH+]c(C)n2)n1 ZINC000301256457 178100847 /nfs/dbraw/zinc/10/08/47/178100847.db2.gz BMEQVLLBBLIKCK-UHFFFAOYSA-N 1 1 248.355 2.495 10 0 BEAEMO CCC[C@@H](C[NH2+][C@H](C)c1ncc(C)o1)OC ZINC000386014323 398195488 /nfs/dbraw/zinc/19/54/88/398195488.db2.gz NGVJGWDMUHWCIV-MNOVXSKESA-N 1 1 226.320 2.449 10 0 BEAEMO Cc1cc(N)ccc1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000037909682 178105281 /nfs/dbraw/zinc/10/52/81/178105281.db2.gz DIGZPIWTUCIOTM-LLVKDONJSA-N 1 1 247.342 2.000 10 0 BEAEMO CCC1([N@@H+]2CCC[C@H](C)C2)CCNCC1 ZINC000536954526 398198519 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231.299 2.263 10 0 BEAEMO Cc1[nH]c[nH+]c1CCCOCc1ccncc1 ZINC000201646029 343389585 /nfs/dbraw/zinc/38/95/85/343389585.db2.gz ASDVHPWEGXWDBU-UHFFFAOYSA-N 1 1 231.299 2.263 10 0 BEAEMO CCCCC1(CCCC)CC(=O)N(C)C(N)=[NH+]1 ZINC000201954068 343392735 /nfs/dbraw/zinc/39/27/35/343392735.db2.gz GSWUKVGZDNTIKM-UHFFFAOYSA-N 1 1 239.363 2.282 10 0 BEAEMO C[C@@H]1CC[N@H+](CC(=O)c2cccs2)C1 ZINC000040719131 343408290 /nfs/dbraw/zinc/40/82/90/343408290.db2.gz MQBJRCCEPUPFNP-SECBINFHSA-N 1 1 209.314 2.273 10 0 BEAEMO C[C@@H]1CC[N@@H+](CC(=O)c2cccs2)C1 ZINC000040719131 343408292 /nfs/dbraw/zinc/40/82/92/343408292.db2.gz MQBJRCCEPUPFNP-SECBINFHSA-N 1 1 209.314 2.273 10 0 BEAEMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000042976214 343461110 /nfs/dbraw/zinc/46/11/10/343461110.db2.gz DBMPGDVQKVZHAR-UHFFFAOYSA-N 1 1 248.370 2.423 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1c1ccccc1CCO ZINC000616633605 343528561 /nfs/dbraw/zinc/52/85/61/343528561.db2.gz OAUCQBAVKIKYBW-CQSZACIVSA-N 1 1 219.328 2.378 10 0 BEAEMO CNc1cccc([C@@H]2C[N@@H+](C)CCCO2)c1 ZINC000616650881 343530927 /nfs/dbraw/zinc/53/09/27/343530927.db2.gz IBPCBFHEDNYVSX-ZDUSSCGKSA-N 1 1 220.316 2.122 10 0 BEAEMO OCC[N@H+]1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616613414 349825183 /nfs/dbraw/zinc/82/51/83/349825183.db2.gz ISVMZSYCCINIHE-ZDUSSCGKSA-N 1 1 242.322 2.016 10 0 BEAEMO C[C@@H]1C[N@@H+](C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779748 343705795 /nfs/dbraw/zinc/70/57/95/343705795.db2.gz WFNALLOMRMDNSP-ZWNOBZJWSA-N 1 1 239.746 2.499 10 0 BEAEMO C[C@@H]1C[C@H]([N@H+]2CC[C@H](O)C2)CC(C)(C)C1 ZINC000092901895 343785137 /nfs/dbraw/zinc/78/51/37/343785137.db2.gz BZYBUSBTRXBPGF-WOPDTQHZSA-N 1 1 211.349 2.268 10 0 BEAEMO CNc1cc(NCc2ccccc2)[nH+]c(C)n1 ZINC000128357273 343787838 /nfs/dbraw/zinc/78/78/38/343787838.db2.gz WYPIYCDLWFWJTB-UHFFFAOYSA-N 1 1 228.299 2.439 10 0 BEAEMO Cc1nc(N)cc(N2[C@H](C)CCC[C@@H]2C)[nH+]1 ZINC000409431363 343823077 /nfs/dbraw/zinc/82/30/77/343823077.db2.gz POUITQNBOMVVCO-DTORHVGOSA-N 1 1 220.320 2.135 10 0 BEAEMO CC(F)(F)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000409429888 343806659 /nfs/dbraw/zinc/80/66/59/343806659.db2.gz PQUAMANBVGTRKV-UHFFFAOYSA-N 1 1 232.318 2.106 10 0 BEAEMO CC(C)c1n[nH]c(C(F)(F)F)c1CCC(N)=[NH2+] ZINC000409436760 343837460 /nfs/dbraw/zinc/83/74/60/343837460.db2.gz AECYWKVTVCIDPB-UHFFFAOYSA-N 1 1 248.252 2.420 10 0 BEAEMO Cc1n[nH]c(C2CCCC2)c1CCC(N)=[NH2+] ZINC000409438681 343844887 /nfs/dbraw/zinc/84/48/87/343844887.db2.gz FCNPHRCIQZHDNN-UHFFFAOYSA-N 1 1 220.320 2.244 10 0 BEAEMO CC(C)(C)c1cc(=O)n(C[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000409439027 343845927 /nfs/dbraw/zinc/84/59/27/343845927.db2.gz NSHFEECRXURRRL-JTQLQIEISA-N 1 1 237.347 2.028 10 0 BEAEMO CCc1n[nH]c(C2CCCC2)c1CCC(N)=[NH2+] ZINC000409439240 343847061 /nfs/dbraw/zinc/84/70/61/343847061.db2.gz HQONHQZGAAHIHS-UHFFFAOYSA-N 1 1 234.347 2.498 10 0 BEAEMO [NH2+]=C(NO)[C@@H](c1cccc(F)c1)n1cccc1 ZINC000409439408 343847439 /nfs/dbraw/zinc/84/74/39/343847439.db2.gz HCBJSUUIJFHDGC-LLVKDONJSA-N 1 1 233.246 2.173 10 0 BEAEMO CCc1[nH]nc(CC(C)C)c1CCC(N)=[NH2+] ZINC000409439496 343847508 /nfs/dbraw/zinc/84/75/08/343847508.db2.gz IPXHUJCGECAQCQ-UHFFFAOYSA-N 1 1 222.336 2.039 10 0 BEAEMO CCc1n[nH]c(C2CCCC2)c1C[NH2+]C ZINC000409437938 343849400 /nfs/dbraw/zinc/84/94/00/343849400.db2.gz BEACTPZFKQJKPS-UHFFFAOYSA-N 1 1 207.321 2.349 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CC1CC(C)(C)C1 ZINC000625481836 343881497 /nfs/dbraw/zinc/88/14/97/343881497.db2.gz JSRJQDXIRBKKMC-JQWIXIFHSA-N 1 1 211.349 2.268 10 0 BEAEMO CC(C)[N@H+]1CC[C@@H](c2cccc(N)c2)C1 ZINC000220073877 343918312 /nfs/dbraw/zinc/91/83/12/343918312.db2.gz MNGHMARFACJPIY-GFCCVEGCSA-N 1 1 204.317 2.467 10 0 BEAEMO CC1(C)C[N@H+]([C@H]2CCCCC2=O)CCS1 ZINC000135214945 343968688 /nfs/dbraw/zinc/96/86/88/343968688.db2.gz GDQBUFLMEXYMRU-JTQLQIEISA-N 1 1 227.373 2.326 10 0 BEAEMO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2=O)C1 ZINC000060719898 344197910 /nfs/dbraw/zinc/19/79/10/344197910.db2.gz OUWGDFAKIPYQCJ-NEPJUHHUSA-N 1 1 209.333 2.478 10 0 BEAEMO O=C1CCCC[C@@H]1C[N@H+]1CCCSCC1 ZINC000060720477 344198863 /nfs/dbraw/zinc/19/88/63/344198863.db2.gz HXKDGCGRJLGTEK-LLVKDONJSA-N 1 1 227.373 2.185 10 0 BEAEMO CCN1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095937438 344358155 /nfs/dbraw/zinc/35/81/55/344358155.db2.gz VIYYRTSAIOEXEZ-UHFFFAOYSA-N 1 1 230.355 2.214 10 0 BEAEMO C[C@H](NCCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215031814 344415569 /nfs/dbraw/zinc/41/55/69/344415569.db2.gz SBMNZDBVNSNVFX-QMMMGPOBSA-N 1 1 230.714 2.479 10 0 BEAEMO CC1(C)CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000102930748 344440760 /nfs/dbraw/zinc/44/07/60/344440760.db2.gz VVISYNBWMHCHQD-UHFFFAOYSA-N 1 1 232.327 2.500 10 0 BEAEMO C[N@@H+](CC1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000042494076 344455278 /nfs/dbraw/zinc/45/52/78/344455278.db2.gz KHVFSADZXSPUFE-OLZOCXBDSA-N 1 1 211.349 2.412 10 0 BEAEMO c1c[nH]c([C@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000152034672 344475912 /nfs/dbraw/zinc/47/59/12/344475912.db2.gz NXAIPKHPTZIKLO-CYBMUJFWSA-N 1 1 249.358 2.363 10 0 BEAEMO CC(=O)CC[N@H+](C)Cc1ccccc1C ZINC000047979728 344581331 /nfs/dbraw/zinc/58/13/31/344581331.db2.gz NYXQJNNYOIVJOK-UHFFFAOYSA-N 1 1 205.301 2.406 10 0 BEAEMO CCC[C@H](C)C[NH2+][C@@H](C)CCN(C)C ZINC000049553622 344653278 /nfs/dbraw/zinc/65/32/78/344653278.db2.gz IOXJCLCDXLUSLA-RYUDHWBXSA-N 1 1 200.370 2.352 10 0 BEAEMO C[N@@H+](C[C@H]1CCC(C)(C)C1=O)C1CCC1 ZINC000127817696 344659776 /nfs/dbraw/zinc/65/97/76/344659776.db2.gz IWACAWCDBYEHEZ-SNVBAGLBSA-N 1 1 209.333 2.476 10 0 BEAEMO CN(C)CC[C@]1(C)[NH2+]CCc2sccc21 ZINC000715208735 537868099 /nfs/dbraw/zinc/86/80/99/537868099.db2.gz POAVOHYAHGOMQY-LBPRGKRZSA-N 1 1 224.373 2.061 10 0 BEAEMO Clc1ccncc1NCc1cnc[nH]1 ZINC000166635043 344948035 /nfs/dbraw/zinc/94/80/35/344948035.db2.gz UVOOKPGRFJUPDL-UHFFFAOYSA-N 1 1 208.652 2.070 10 0 BEAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cncs1 ZINC000123379289 344997725 /nfs/dbraw/zinc/99/77/25/344997725.db2.gz VIUCMTZGWPXJNO-LLVKDONJSA-N 1 1 239.388 2.059 10 0 BEAEMO C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000188781100 259382892 /nfs/dbraw/zinc/38/28/92/259382892.db2.gz CKQZXRSNMMWANF-IHRRRGAJSA-N 1 1 239.359 2.199 10 0 BEAEMO Cc1cnn([C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000156231824 345140589 /nfs/dbraw/zinc/14/05/89/345140589.db2.gz BEXIJEGIEVVETC-CYBMUJFWSA-N 1 1 219.332 2.238 10 0 BEAEMO Nc1ccc2c(c1)CC[N@@H+](C1CCC1)CC2 ZINC000139811792 345202941 /nfs/dbraw/zinc/20/29/41/345202941.db2.gz CRSFNXWYTLCSFD-UHFFFAOYSA-N 1 1 216.328 2.222 10 0 BEAEMO Cc1ccc([C@H]2C[N@H+](CC3CC3)CCO2)o1 ZINC000159084886 345408676 /nfs/dbraw/zinc/40/86/76/345408676.db2.gz NGCGYTYSWGOURK-CYBMUJFWSA-N 1 1 221.300 2.371 10 0 BEAEMO Cc1ccc([C@H]2C[N@@H+](CC3CC3)CCO2)o1 ZINC000159084886 345408679 /nfs/dbraw/zinc/40/86/79/345408679.db2.gz NGCGYTYSWGOURK-CYBMUJFWSA-N 1 1 221.300 2.371 10 0 BEAEMO C=Cn1c(CO)cc2c1[C@H](C)C[N@@H+](C)[C@H]2C ZINC000257354045 345774417 /nfs/dbraw/zinc/77/44/17/345774417.db2.gz VJWGFAWQJOZHCK-ZJUUUORDSA-N 1 1 220.316 2.191 10 0 BEAEMO Cc1cccc(-c2noc([C@H]([NH3+])CC(C)C)n2)n1 ZINC000104165353 179000025 /nfs/dbraw/zinc/00/00/25/179000025.db2.gz YWZKAXNZQCVUKE-SNVBAGLBSA-N 1 1 246.314 2.486 10 0 BEAEMO CCCC(=O)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000669376826 537962681 /nfs/dbraw/zinc/96/26/81/537962681.db2.gz VKVVZVHQPNZKGG-GFCCVEGCSA-N 1 1 207.273 2.064 10 0 BEAEMO OCCC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000052761997 346373233 /nfs/dbraw/zinc/37/32/33/346373233.db2.gz FUIPJLAPXUKRHH-LLVKDONJSA-N 1 1 209.289 2.017 10 0 BEAEMO C[N@H+]1Cc2ccc(NC[C@@H](O)C(C)(C)C)cc2C1 ZINC000574912379 346410100 /nfs/dbraw/zinc/41/01/00/346410100.db2.gz AFEPNULPNDYEKH-CQSZACIVSA-N 1 1 248.370 2.451 10 0 BEAEMO Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000294718538 179077442 /nfs/dbraw/zinc/07/74/42/179077442.db2.gz CJKBQUBQJLILNA-GXTWGEPZSA-N 1 1 219.328 2.340 10 0 BEAEMO Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000294718545 179077778 /nfs/dbraw/zinc/07/77/78/179077778.db2.gz CJKBQUBQJLILNA-OCCSQVGLSA-N 1 1 219.328 2.340 10 0 BEAEMO CCOC(=O)C1CCN(c2[nH+]cccc2C)CC1 ZINC000051041431 346460553 /nfs/dbraw/zinc/46/05/53/346460553.db2.gz BILVVMDGIDUZOL-UHFFFAOYSA-N 1 1 248.326 2.170 10 0 BEAEMO CC1(C)CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000102930813 346514043 /nfs/dbraw/zinc/51/40/43/346514043.db2.gz CJQQPOHISDSYPC-UHFFFAOYSA-N 1 1 238.375 2.263 10 0 BEAEMO CCc1cccc([C@H]2C[C@H]([NH3+])CCN2C)c1 ZINC000675055016 537981812 /nfs/dbraw/zinc/98/18/12/537981812.db2.gz PMLRJMBOBFNYEG-ZIAGYGMSSA-N 1 1 218.344 2.343 10 0 BEAEMO CCOc1ccccc1[C@@H](C)NCCC[NH3+] ZINC000037713324 346706241 /nfs/dbraw/zinc/70/62/41/346706241.db2.gz LQQOLWLHLFYCSQ-LLVKDONJSA-N 1 1 222.332 2.085 10 0 BEAEMO c1ccc2c(C[NH2+]CC[C@@H]3CCCO3)n[nH]c2c1 ZINC000589639680 346721385 /nfs/dbraw/zinc/72/13/85/346721385.db2.gz BSRJABSPKBOQAO-NSHDSACASA-N 1 1 245.326 2.222 10 0 BEAEMO Cc1cccc(NCC[N@@H+](C)CCCN(C)C)c1 ZINC000104192423 179145612 /nfs/dbraw/zinc/14/56/12/179145612.db2.gz FVGYSXAEOYZNGH-UHFFFAOYSA-N 1 1 249.402 2.290 10 0 BEAEMO Cc1cccc(NCC[N@H+](C)CCCN(C)C)c1 ZINC000104192423 179145614 /nfs/dbraw/zinc/14/56/14/179145614.db2.gz FVGYSXAEOYZNGH-UHFFFAOYSA-N 1 1 249.402 2.290 10 0 BEAEMO Cc1cccc(OCCNc2ccc(N)[nH+]c2)c1 ZINC000042895415 179169070 /nfs/dbraw/zinc/16/90/70/179169070.db2.gz FUEHSGXMENPURH-UHFFFAOYSA-N 1 1 243.310 2.463 10 0 BEAEMO Cc1cccc([C@@H](CN)[N@H+](C)C(C)C)c1 ZINC000022212872 179185484 /nfs/dbraw/zinc/18/54/84/179185484.db2.gz KVXJJOQQQNRCCM-CYBMUJFWSA-N 1 1 206.333 2.335 10 0 BEAEMO Cc1cccc([C@@H](C[NH3+])N(C)C(C)C)c1 ZINC000022212872 179185486 /nfs/dbraw/zinc/18/54/86/179185486.db2.gz KVXJJOQQQNRCCM-CYBMUJFWSA-N 1 1 206.333 2.335 10 0 BEAEMO Cc1cccc([C@@H]([C@H](C)N)[N@H+](C)C2CC2)c1 ZINC000042965925 179188436 /nfs/dbraw/zinc/18/84/36/179188436.db2.gz UUAIIOZRZXDUCU-SMDDNHRTSA-N 1 1 218.344 2.478 10 0 BEAEMO Cc1cccc([C@@H]([C@H](C)N)[N@@H+](C)C2CC2)c1 ZINC000042965925 179188439 /nfs/dbraw/zinc/18/84/39/179188439.db2.gz UUAIIOZRZXDUCU-SMDDNHRTSA-N 1 1 218.344 2.478 10 0 BEAEMO CN1CC[C@@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000250614109 362812778 /nfs/dbraw/zinc/81/27/78/362812778.db2.gz NMVIYJIRSMGZDN-WCQYABFASA-N 1 1 238.762 2.162 10 0 BEAEMO CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250507560 362807099 /nfs/dbraw/zinc/80/70/99/362807099.db2.gz ACSPJVMTHJDCIG-VXGBXAGGSA-N 1 1 209.333 2.476 10 0 BEAEMO Cc1cccc([C@H]([C@H](C)N)[N@H+](C)C2CC2)c1 ZINC000042965927 179203130 /nfs/dbraw/zinc/20/31/30/179203130.db2.gz UUAIIOZRZXDUCU-FZMZJTMJSA-N 1 1 218.344 2.478 10 0 BEAEMO Cc1cccc([C@H]([C@H](C)N)[N@@H+](C)C2CC2)c1 ZINC000042965927 179203131 /nfs/dbraw/zinc/20/31/31/179203131.db2.gz UUAIIOZRZXDUCU-FZMZJTMJSA-N 1 1 218.344 2.478 10 0 BEAEMO CC(C)C[C@H]([NH3+])CN1C[C@H](C)C[C@@H](C)C1 ZINC000020073494 347404004 /nfs/dbraw/zinc/40/40/04/347404004.db2.gz PFEXFQONOYGOKR-UPJWGTAASA-N 1 1 212.381 2.338 10 0 BEAEMO Clc1csc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250781918 362821028 /nfs/dbraw/zinc/82/10/28/362821028.db2.gz SBANEINHHJBXBI-QMMMGPOBSA-N 1 1 243.763 2.081 10 0 BEAEMO Cc1cccc2cc(C(=O)[C@@H](C)[NH3+])oc21 ZINC000082914555 179226903 /nfs/dbraw/zinc/22/69/03/179226903.db2.gz OIWOJKMNGMPTHP-MRVPVSSYSA-N 1 1 203.241 2.271 10 0 BEAEMO CCCCOC[C@H](O)C[N@@H+](CCC)C1CC1 ZINC000193246986 347393078 /nfs/dbraw/zinc/39/30/78/347393078.db2.gz YCBOGFCQCZEGSQ-CYBMUJFWSA-N 1 1 229.364 2.038 10 0 BEAEMO Cc1ccccc1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000062911521 179269888 /nfs/dbraw/zinc/26/98/88/179269888.db2.gz TXYBUXJYOSNXJB-OAHLLOKOSA-N 1 1 232.371 2.426 10 0 BEAEMO Cc1ccccc1CN1CC[NH2+]CC[C@H]1C ZINC000062609132 179273444 /nfs/dbraw/zinc/27/34/44/179273444.db2.gz VTYJGUZRDCWZLM-CYBMUJFWSA-N 1 1 218.344 2.179 10 0 BEAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+](C)C1CC1 ZINC000043034388 179329056 /nfs/dbraw/zinc/32/90/56/179329056.db2.gz LNZZAWSMPRXVOB-SMDDNHRTSA-N 1 1 218.344 2.478 10 0 BEAEMO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+](C)C1CC1 ZINC000043034388 179329059 /nfs/dbraw/zinc/32/90/59/179329059.db2.gz LNZZAWSMPRXVOB-SMDDNHRTSA-N 1 1 218.344 2.478 10 0 BEAEMO CC[N@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616613553 349983632 /nfs/dbraw/zinc/98/36/32/349983632.db2.gz WFQRQCUSXVFWNX-CYBMUJFWSA-N 1 1 219.328 2.031 10 0 BEAEMO Cc1ccc[nH+]c1N[C@@H](C)Cn1cccn1 ZINC000051041064 179394968 /nfs/dbraw/zinc/39/49/68/179394968.db2.gz FXERLQQJNNFOSW-NSHDSACASA-N 1 1 216.288 2.087 10 0 BEAEMO OCC[C@H]1CCC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000336717931 187393374 /nfs/dbraw/zinc/39/33/74/187393374.db2.gz UUEOQMHUPFTMCD-ZIAGYGMSSA-N 1 1 231.339 2.173 10 0 BEAEMO Cc1cc[nH+]c(N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000334732018 133742666 /nfs/dbraw/zinc/74/26/66/133742666.db2.gz ZCILTVMKTRSZOH-OLZOCXBDSA-N 1 1 244.338 2.395 10 0 BEAEMO C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)C2=O)C1 ZINC000251701608 362899204 /nfs/dbraw/zinc/89/92/04/362899204.db2.gz ODLJUZYOGJJHAK-WDEREUQCSA-N 1 1 209.333 2.334 10 0 BEAEMO C[C@@H]1C[N@H+]([C@H]2CCCC2(C)C)CCC1=O ZINC000251792783 362920546 /nfs/dbraw/zinc/92/05/46/362920546.db2.gz NNOCYVCTNKPCRO-PWSUYJOCSA-N 1 1 209.333 2.476 10 0 BEAEMO CC[N@@H+](C)Cc1ccc(N)cc1Br ZINC000037460464 348615027 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CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)C(F)(F)F ZINC000136404445 364470112 /nfs/dbraw/zinc/47/01/12/364470112.db2.gz GANJIOAVRHWMLC-YIZRAAEISA-N 1 1 225.254 2.173 10 0 BEAEMO Cn1c(C[N@@H+]2CCCC2(C)C)nnc1C1CC1 ZINC000170872904 364557129 /nfs/dbraw/zinc/55/71/29/364557129.db2.gz VJEOAAFCZVDWDG-UHFFFAOYSA-N 1 1 234.347 2.067 10 0 BEAEMO Cn1c(C[N@H+]2CCCC2(C)C)nnc1C1CC1 ZINC000170872904 364557134 /nfs/dbraw/zinc/55/71/34/364557134.db2.gz VJEOAAFCZVDWDG-UHFFFAOYSA-N 1 1 234.347 2.067 10 0 BEAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252662459 364749687 /nfs/dbraw/zinc/74/96/87/364749687.db2.gz ZIGMPHJZDMKLLL-NEPJUHHUSA-N 1 1 238.375 2.118 10 0 BEAEMO NCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000037712277 181398008 /nfs/dbraw/zinc/39/80/08/181398008.db2.gz XLTUBFXONWSWHC-UHFFFAOYSA-N 1 1 226.323 2.402 10 0 BEAEMO CC(C)[NH+](C(C)C)[C@@H]1C[C@H](N)C12CCOCC2 ZINC000675080595 541468126 /nfs/dbraw/zinc/46/81/26/541468126.db2.gz SSDSNPVWNIEBCY-QWHCGFSZSA-N 1 1 240.391 2.002 10 0 BEAEMO CC(C)c1nnc(C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000195011534 367332475 /nfs/dbraw/zinc/33/24/75/367332475.db2.gz DJQGJEMGHCHORG-NSHDSACASA-N 1 1 236.363 2.313 10 0 BEAEMO CC(C)c1nnc(C[N@H+]2CCCC[C@@H]2C)n1C ZINC000195011534 367332481 /nfs/dbraw/zinc/33/24/81/367332481.db2.gz DJQGJEMGHCHORG-NSHDSACASA-N 1 1 236.363 2.313 10 0 BEAEMO CC(C)c1nnc(C[N@@H+](C(C)C)C2CC2)n1C ZINC000195059049 367333821 /nfs/dbraw/zinc/33/38/21/367333821.db2.gz SJBOIRPTNHPILX-UHFFFAOYSA-N 1 1 236.363 2.311 10 0 BEAEMO CC(C)c1nnc(C[N@H+](C(C)C)C2CC2)n1C ZINC000195059049 367333827 /nfs/dbraw/zinc/33/38/27/367333827.db2.gz SJBOIRPTNHPILX-UHFFFAOYSA-N 1 1 236.363 2.311 10 0 BEAEMO CC(F)(F)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000382278328 367502353 /nfs/dbraw/zinc/50/23/53/367502353.db2.gz IJTDAFAOPXYDJI-IWSPIJDZSA-N 1 1 219.275 2.045 10 0 BEAEMO C[C@H]1[C@H](O)CCC[N@H+]1CCC1CCCC1 ZINC000384850255 367742811 /nfs/dbraw/zinc/74/28/11/367742811.db2.gz KUEAYVNWLNCQCV-WCQYABFASA-N 1 1 211.349 2.412 10 0 BEAEMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385107649 367792311 /nfs/dbraw/zinc/79/23/11/367792311.db2.gz CJWNWCGHJUHALP-SMDDNHRTSA-N 1 1 237.318 2.479 10 0 BEAEMO CC(C)[C@H]1CC[N@@H+](C[C@H]2CCCC2=O)C1 ZINC000252850255 368163164 /nfs/dbraw/zinc/16/31/64/368163164.db2.gz HNBLJIWPRKSHQA-NWDGAFQWSA-N 1 1 209.333 2.334 10 0 BEAEMO C[C@@H]1[C@H](C)SCC[N@@H+]1[C@H]1CCCCC1=O ZINC000253069229 368444766 /nfs/dbraw/zinc/44/47/66/368444766.db2.gz LLLIYYDNPXRMSY-VWYCJHECSA-N 1 1 227.373 2.324 10 0 BEAEMO CC1CCN(CC[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000153772337 326112550 /nfs/dbraw/zinc/11/25/50/326112550.db2.gz ZAGPSBJOUIZLCZ-ZDUSSCGKSA-N 1 1 242.432 2.156 10 0 BEAEMO CC1CCN(CC[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000153772337 326112553 /nfs/dbraw/zinc/11/25/53/326112553.db2.gz ZAGPSBJOUIZLCZ-ZDUSSCGKSA-N 1 1 242.432 2.156 10 0 BEAEMO CC(C)(C)OCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000065953795 368636454 /nfs/dbraw/zinc/63/64/54/368636454.db2.gz ZELAOBODSVZMGS-CHWSQXEVSA-N 1 1 241.375 2.445 10 0 BEAEMO CN(C)C1([C@@H]([NH3+])Cc2ccccc2)CCCC1 ZINC000085751834 368869443 /nfs/dbraw/zinc/86/94/43/368869443.db2.gz KWOCLTDDNGSGQU-AWEZNQCLSA-N 1 1 232.371 2.431 10 0 BEAEMO Cc1scc(CNC2CC[NH2+]CC2)c1C ZINC000399872840 368897712 /nfs/dbraw/zinc/89/77/12/368897712.db2.gz UXOVKQIHLWECQO-UHFFFAOYSA-N 1 1 224.373 2.207 10 0 BEAEMO Cc1ccc(F)cc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837376 369094399 /nfs/dbraw/zinc/09/43/99/369094399.db2.gz BADIHTYRQLVLSP-AAEUAGOBSA-N 1 1 236.334 2.161 10 0 BEAEMO C[C@@H]1C[C@](O)(c2cccs2)CC[N@H+]1C ZINC000107151963 369310680 /nfs/dbraw/zinc/31/06/80/369310680.db2.gz XBHAEMOWEVBSCR-KOLCDFICSA-N 1 1 211.330 2.050 10 0 BEAEMO C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843099 369373132 /nfs/dbraw/zinc/37/31/32/369373132.db2.gz JGCWODWIDVAGJA-ZFWWWQNUSA-N 1 1 232.371 2.146 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cncc(Cl)c1 ZINC000621302373 370231806 /nfs/dbraw/zinc/23/18/06/370231806.db2.gz AVTYQJMSQVQNAY-CABZTGNLSA-N 1 1 240.734 2.080 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cncc(Cl)c1 ZINC000621302373 370231810 /nfs/dbraw/zinc/23/18/10/370231810.db2.gz AVTYQJMSQVQNAY-CABZTGNLSA-N 1 1 240.734 2.080 10 0 BEAEMO [NH3+]Cc1nnc(-c2ccc(Cl)cc2)s1 ZINC000057517192 181504715 /nfs/dbraw/zinc/50/47/15/181504715.db2.gz NTKOVDPQKZIZJD-UHFFFAOYSA-N 1 1 225.704 2.317 10 0 BEAEMO CC[C@H]1CS[C@H](c2cncs2)[NH2+]1 ZINC000161614549 370605504 /nfs/dbraw/zinc/60/55/04/370605504.db2.gz VQOAMOSKTXZFTK-POYBYMJQSA-N 1 1 200.332 2.257 10 0 BEAEMO CC(C)(C)OC1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC000132218990 371768456 /nfs/dbraw/zinc/76/84/56/371768456.db2.gz MMVRBTNLKNBKCY-UHFFFAOYSA-N 1 1 241.375 2.443 10 0 BEAEMO CC1(C)CN(c2c(N)c[nH+]cc2Cl)C1 ZINC000307330198 372111671 /nfs/dbraw/zinc/11/16/71/372111671.db2.gz NAIHXLNWGIBIIZ-UHFFFAOYSA-N 1 1 211.696 2.163 10 0 BEAEMO C[C@H]1CCC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000307333481 372112699 /nfs/dbraw/zinc/11/26/99/372112699.db2.gz BIOCPUMDDVIFKZ-VIFPVBQESA-N 1 1 225.723 2.362 10 0 BEAEMO C[C@H]1CCC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000307333481 372112706 /nfs/dbraw/zinc/11/27/06/372112706.db2.gz BIOCPUMDDVIFKZ-VIFPVBQESA-N 1 1 225.723 2.362 10 0 BEAEMO C[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631844062 372643194 /nfs/dbraw/zinc/64/31/94/372643194.db2.gz UYGQQEXXWVPTRX-JQWIXIFHSA-N 1 1 238.762 2.367 10 0 BEAEMO CCOc1cccc([C@@H](CN)[NH+]2CCCC2)c1 ZINC000038970638 372838175 /nfs/dbraw/zinc/83/81/75/372838175.db2.gz UDVDKZWKQHYDTB-CQSZACIVSA-N 1 1 234.343 2.181 10 0 BEAEMO CCOc1cccc([C@H](CN)[NH+]2CCCC2)c1 ZINC000038970639 372839040 /nfs/dbraw/zinc/83/90/40/372839040.db2.gz UDVDKZWKQHYDTB-AWEZNQCLSA-N 1 1 234.343 2.181 10 0 BEAEMO C[C@@H](Cc1[nH]cc[nH+]1)O[C@H]1C[C@H](C)CCC1=O ZINC000428190184 373012466 /nfs/dbraw/zinc/01/24/66/373012466.db2.gz XMRDPOXURYNPMM-SCVCMEIPSA-N 1 1 236.315 2.115 10 0 BEAEMO COC(=O)[C@@H]([NH3+])Cc1cccc(Cl)c1Cl ZINC000069554673 373458974 /nfs/dbraw/zinc/45/89/74/373458974.db2.gz MOCAUOFZWPSBOG-QMMMGPOBSA-N 1 1 248.109 2.036 10 0 BEAEMO C[C@@H]1CCC[C@H](CN)[N@H+]1Cc1ccccc1 ZINC000069721354 373647770 /nfs/dbraw/zinc/64/77/70/373647770.db2.gz AZKQWCPTAGSIIP-TZMCWYRMSA-N 1 1 218.344 2.388 10 0 BEAEMO CCOC(=O)[C@H]([NH2+]CC1CC1)C1CCCCC1 ZINC000037968200 170277050 /nfs/dbraw/zinc/27/70/50/170277050.db2.gz YVZMKKZVGRIEBZ-CYBMUJFWSA-N 1 1 239.359 2.498 10 0 BEAEMO c1cncc(O[C@@H]2CC[N@H+](C3CCC3)C2)c1 ZINC000178999197 134313956 /nfs/dbraw/zinc/31/39/56/134313956.db2.gz TXAGYMDFWAWOHX-CYBMUJFWSA-N 1 1 218.300 2.087 10 0 BEAEMO OCC1CCC2(CC[N@H+](C3CC3)C2)CC1 ZINC000095078458 183041583 /nfs/dbraw/zinc/04/15/83/183041583.db2.gz TZKUWHPGUJADGZ-UHFFFAOYSA-N 1 1 209.333 2.023 10 0 BEAEMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnoc1C1CC1 ZINC000371451201 183031917 /nfs/dbraw/zinc/03/19/17/183031917.db2.gz QVIAGAPPTHXGTB-FUNVUKJBSA-N 1 1 248.326 2.040 10 0 BEAEMO OCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494900 183054709 /nfs/dbraw/zinc/05/47/09/183054709.db2.gz TXKTWSDWZZLGCC-ZDUSSCGKSA-N 1 1 209.333 2.191 10 0 BEAEMO OCC[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000336717918 183093019 /nfs/dbraw/zinc/09/30/19/183093019.db2.gz UUEOQMHUPFTMCD-KBPBESRZSA-N 1 1 231.339 2.173 10 0 BEAEMO OCC[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000049137632 183093253 /nfs/dbraw/zinc/09/32/53/183093253.db2.gz WJNVZTZGSHZYPB-NSHDSACASA-N 1 1 225.357 2.485 10 0 BEAEMO OCC[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000128040456 183094364 /nfs/dbraw/zinc/09/43/64/183094364.db2.gz UDBFNSBFGACULS-JTQLQIEISA-N 1 1 241.281 2.169 10 0 BEAEMO OC[C@@H]1CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000377244102 183116513 /nfs/dbraw/zinc/11/65/13/183116513.db2.gz WIRUSMLYEUAGDH-ZIAGYGMSSA-N 1 1 223.360 2.437 10 0 BEAEMO OC[C@@H]1CCCN1c1cc[nH+]c2ccsc21 ZINC000266440256 183121381 /nfs/dbraw/zinc/12/13/81/183121381.db2.gz WAFUDTXEQIGKAA-VIFPVBQESA-N 1 1 234.324 2.257 10 0 BEAEMO OCC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000300716701 183098496 /nfs/dbraw/zinc/09/84/96/183098496.db2.gz DPSVRICVTVIRQA-CYBMUJFWSA-N 1 1 211.349 2.271 10 0 BEAEMO CCCC[C@H]([NH2+]C1(C(C)C)CC1)C(=O)OC ZINC000339514297 169012027 /nfs/dbraw/zinc/01/20/27/169012027.db2.gz MZCOSFVEZFAZLF-NSHDSACASA-N 1 1 227.348 2.496 10 0 BEAEMO CCCC[C@]1(CC)COC(=O)[C@H]1[NH+](C)C ZINC000039101662 169016236 /nfs/dbraw/zinc/01/62/36/169016236.db2.gz QSNAHENBSYMGGT-ZYHUDNBSSA-N 1 1 213.321 2.060 10 0 BEAEMO OC[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000104314754 183152638 /nfs/dbraw/zinc/15/26/38/183152638.db2.gz PWUMCJVZLCAEPF-DZGCQCFKSA-N 1 1 245.366 2.421 10 0 BEAEMO OC[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000374048564 183146085 /nfs/dbraw/zinc/14/60/85/183146085.db2.gz FSRHVZTWRUHBIT-ZDUSSCGKSA-N 1 1 237.318 2.420 10 0 BEAEMO CCC[N@@H+](C)CCC(=O)Nc1ccc(N)cc1C ZINC000037097796 169075199 /nfs/dbraw/zinc/07/51/99/169075199.db2.gz BSOGGOJPEDJLKX-UHFFFAOYSA-N 1 1 249.358 2.248 10 0 BEAEMO O[C@@H]1CCCC[C@@H]1[N@H+]1CCC2(CCC2)C1 ZINC000305693705 183187708 /nfs/dbraw/zinc/18/77/08/183187708.db2.gz SOGJJHFVTAKOPL-NWDGAFQWSA-N 1 1 209.333 2.166 10 0 BEAEMO CCC[N@@H+](CC(=O)OC)C[C@H]1Cc2ccccc21 ZINC000090981409 169100394 /nfs/dbraw/zinc/10/03/94/169100394.db2.gz MMSJCFPWVKTKCZ-CYBMUJFWSA-N 1 1 247.338 2.211 10 0 BEAEMO CCC[N@H+](CC(=O)OC)C[C@H]1Cc2ccccc21 ZINC000090981409 169100395 /nfs/dbraw/zinc/10/03/95/169100395.db2.gz MMSJCFPWVKTKCZ-CYBMUJFWSA-N 1 1 247.338 2.211 10 0 BEAEMO O[C@H](CC1CCCC1)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000352857757 183219466 /nfs/dbraw/zinc/21/94/66/183219466.db2.gz JNKOXOIXMMPFTM-BFHYXJOUSA-N 1 1 223.360 2.412 10 0 BEAEMO O[C@H](C[N@H+]1CCCSCC1)c1ccccc1 ZINC000042444414 183219866 /nfs/dbraw/zinc/21/98/66/183219866.db2.gz FSWNAZVHAUJDLP-CYBMUJFWSA-N 1 1 237.368 2.159 10 0 BEAEMO O[C@H]1CCCC[C@@H]1[N@H+]1CCc2c(F)cccc2C1 ZINC000119454106 183231242 /nfs/dbraw/zinc/23/12/42/183231242.db2.gz IOJNABXQWLBDSB-GJZGRUSLSA-N 1 1 249.329 2.487 10 0 BEAEMO O[C@@H]1C[C@@H]2CC[C@H]1[N@@H+](Cc1ccccc1)C2 ZINC000004368220 183211501 /nfs/dbraw/zinc/21/15/01/183211501.db2.gz LSQZRPLAUOVRPZ-BFHYXJOUSA-N 1 1 217.312 2.032 10 0 BEAEMO CCC[N@@H+](CC(=O)Nc1cccc(N)c1)C1CC1 ZINC000037096712 169096394 /nfs/dbraw/zinc/09/63/94/169096394.db2.gz LRGOUDDMIDSOQZ-UHFFFAOYSA-N 1 1 247.342 2.082 10 0 BEAEMO O[C@H]1CCCC[C@H]1[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893216 183232468 /nfs/dbraw/zinc/23/24/68/183232468.db2.gz JXISTLHYOWWFOK-CABCVRRESA-N 1 1 249.329 2.487 10 0 BEAEMO CCC[NH+](CCC)[C@@H](CN)c1cccnc1 ZINC000019257106 169150354 /nfs/dbraw/zinc/15/03/54/169150354.db2.gz LKVQXTGLQKJSOQ-ZDUSSCGKSA-N 1 1 221.348 2.203 10 0 BEAEMO CCC[NH+](CCC)[C@H](CN)c1cccnc1 ZINC000019257108 169151775 /nfs/dbraw/zinc/15/17/75/169151775.db2.gz LKVQXTGLQKJSOQ-CYBMUJFWSA-N 1 1 221.348 2.203 10 0 BEAEMO Oc1ccc2c(c1)OCC[N@@H+](C1CCC1)C2 ZINC000285348262 183280151 /nfs/dbraw/zinc/28/01/51/183280151.db2.gz ATHDZGLKECFJCC-UHFFFAOYSA-N 1 1 219.284 2.139 10 0 BEAEMO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccccn1 ZINC000019957840 183281027 /nfs/dbraw/zinc/28/10/27/183281027.db2.gz NPLBSORIXMYRGE-CYBMUJFWSA-N 1 1 242.278 2.011 10 0 BEAEMO CCC[NH+](CCC)[C@H]1CCc2cn[nH]c2C1 ZINC000027553789 169152911 /nfs/dbraw/zinc/15/29/11/169152911.db2.gz BEXFLNUPTHLMNQ-LBPRGKRZSA-N 1 1 221.348 2.389 10 0 BEAEMO CCC[N@@H+](CCNCc1ccccn1)C(C)C ZINC000053378390 169159281 /nfs/dbraw/zinc/15/92/81/169159281.db2.gz OUSKKPSCDWRMME-UHFFFAOYSA-N 1 1 235.375 2.292 10 0 BEAEMO CCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178330101 169198010 /nfs/dbraw/zinc/19/80/10/169198010.db2.gz BVEARDKCZNMTGI-GFCCVEGCSA-N 1 1 207.321 2.066 10 0 BEAEMO CCC[N@H+]1CCO[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000022064449 169204078 /nfs/dbraw/zinc/20/40/78/169204078.db2.gz JCSREICEMHWFAY-GJZGRUSLSA-N 1 1 247.338 2.490 10 0 in-vitro BEAEMO CCC[N@@H+]1CCO[C@H](c2ccccc2O)C1 ZINC000026820404 169204633 /nfs/dbraw/zinc/20/46/33/169204633.db2.gz SHHFMDBWFMMIMI-ZDUSSCGKSA-N 1 1 221.300 2.176 10 0 BEAEMO CCC[N@H+]1CCO[C@H](c2ccccc2O)C1 ZINC000026820404 169204635 /nfs/dbraw/zinc/20/46/35/169204635.db2.gz SHHFMDBWFMMIMI-ZDUSSCGKSA-N 1 1 221.300 2.176 10 0 BEAEMO CCCN1CC[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000073655914 169209130 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JQJNXFCVZKUABH-UHFFFAOYSA-N 1 1 247.302 2.086 10 0 BEAEMO CCC[C@@H](C)[N@@H+](C)C[C@H](N)CC(C)C ZINC000036790984 169365840 /nfs/dbraw/zinc/36/58/40/169365840.db2.gz BEZDUEOCINTUGM-VXGBXAGGSA-N 1 1 200.370 2.480 10 0 BEAEMO CCC[C@@H](C)N(C)C[C@H]([NH3+])CC(C)C ZINC000036790984 169365842 /nfs/dbraw/zinc/36/58/42/169365842.db2.gz BEZDUEOCINTUGM-VXGBXAGGSA-N 1 1 200.370 2.480 10 0 BEAEMO CCC[C@@H](C)C[N@@H+](C)CCCC(=O)OC ZINC000051323752 169358404 /nfs/dbraw/zinc/35/84/04/169358404.db2.gz JYISCFDUPOMVAB-LLVKDONJSA-N 1 1 215.337 2.308 10 0 BEAEMO CCC[C@@H](C)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000336750780 169359703 /nfs/dbraw/zinc/35/97/03/169359703.db2.gz ZUJSOYFZAVYTEP-GHMZBOCLSA-N 1 1 221.348 2.293 10 0 BEAEMO O[C@@H]1CC[C@H]2C[N@@H+](CC3=CCCC3)C[C@H]2C1 ZINC000401132544 383981247 /nfs/dbraw/zinc/98/12/47/383981247.db2.gz XJRKDTBYOXWHEN-BFHYXJOUSA-N 1 1 221.344 2.190 10 0 BEAEMO Cc1ccsc1-c1nnc([C@H](C)[NH3+])o1 ZINC000050284193 383991096 /nfs/dbraw/zinc/99/10/96/383991096.db2.gz NCQWWEIGAALBHE-LURJTMIESA-N 1 1 209.274 2.126 10 0 BEAEMO Cc1cccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000114183188 384027389 /nfs/dbraw/zinc/02/73/89/384027389.db2.gz XTDBOMXHMPXOJZ-QWRGUYRKSA-N 1 1 206.289 2.004 10 0 BEAEMO C[NH+](C)C[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000090994270 384089522 /nfs/dbraw/zinc/08/95/22/384089522.db2.gz ASBUVUIGFNIVLE-OAHLLOKOSA-N 1 1 243.354 2.407 10 0 BEAEMO CCc1cc(C(=O)C[NH3+])c(SC)s1 ZINC000039101797 384104095 /nfs/dbraw/zinc/10/40/95/384104095.db2.gz RPWFILOPLFHKGA-UHFFFAOYSA-N 1 1 215.343 2.174 10 0 BEAEMO CC(C)(C)CC(C)(C)n1nnc2c1CC[NH2+]C2 ZINC000091523796 384131377 /nfs/dbraw/zinc/13/13/77/384131377.db2.gz IKEWOBBQLNAFNV-UHFFFAOYSA-N 1 1 236.363 2.095 10 0 BEAEMO CCCCOC[C@@H](O)C[N@@H+](C)C(C)(C)CC ZINC000227907106 134398881 /nfs/dbraw/zinc/39/88/81/134398881.db2.gz JPXKROIRITYCAC-LBPRGKRZSA-N 1 1 231.380 2.284 10 0 BEAEMO CCc1[nH+]ccn1Cc1nccn1C(C)C ZINC000158423888 384189563 /nfs/dbraw/zinc/18/95/63/384189563.db2.gz FPHIEJLJAXNCGO-UHFFFAOYSA-N 1 1 218.304 2.271 10 0 BEAEMO FCCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000132869073 384257002 /nfs/dbraw/zinc/25/70/02/384257002.db2.gz RIMLPJQAWQIFCJ-GFCCVEGCSA-N 1 1 237.322 2.175 10 0 BEAEMO CCCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000082725895 384259856 /nfs/dbraw/zinc/25/98/56/384259856.db2.gz UINDLKHKOGOFOF-STQMWFEESA-N 1 1 210.365 2.345 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@@H]1CNC(F)(F)F ZINC000095088273 384361184 /nfs/dbraw/zinc/36/11/84/384361184.db2.gz RHLZBUPWYMQHMY-SECBINFHSA-N 1 1 224.270 2.359 10 0 BEAEMO c1ccc(C[N@@H+]2CCOc3ncccc3C2)cc1 ZINC000095919579 384408096 /nfs/dbraw/zinc/40/80/96/384408096.db2.gz PPLRJKBYCMHMOT-UHFFFAOYSA-N 1 1 240.306 2.476 10 0 BEAEMO c1ccc(C[N@H+]2CCOc3ncccc3C2)cc1 ZINC000095919579 384408099 /nfs/dbraw/zinc/40/80/99/384408099.db2.gz PPLRJKBYCMHMOT-UHFFFAOYSA-N 1 1 240.306 2.476 10 0 BEAEMO Cc1cnc(CC[N@@H+]2CCC[C@@H](O)[C@@H]2C)c(C)c1 ZINC000335642767 384419241 /nfs/dbraw/zinc/41/92/41/384419241.db2.gz IRWKMFXRWGETJU-DZGCQCFKSA-N 1 1 248.370 2.086 10 0 BEAEMO C[C@H](CO)[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000135615387 384455772 /nfs/dbraw/zinc/45/57/72/384455772.db2.gz ABAKYZNVJONGSJ-LLVKDONJSA-N 1 1 230.311 2.047 10 0 BEAEMO CC(C)C[C@@H](N)C[N@@H+](C)[C@@H](C)C(C)C ZINC000036787576 384459729 /nfs/dbraw/zinc/45/97/29/384459729.db2.gz IUDVKICZHWJTJD-NWDGAFQWSA-N 1 1 200.370 2.336 10 0 BEAEMO CC(C)C[C@@H]([NH3+])CN(C)[C@@H](C)C(C)C ZINC000036787576 384459732 /nfs/dbraw/zinc/45/97/32/384459732.db2.gz IUDVKICZHWJTJD-NWDGAFQWSA-N 1 1 200.370 2.336 10 0 BEAEMO CC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137283 384459967 /nfs/dbraw/zinc/45/99/67/384459967.db2.gz DVBDXMUYXQFXOA-UKRRQHHQSA-N 1 1 247.338 2.428 10 0 BEAEMO CC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137283 384459972 /nfs/dbraw/zinc/45/99/72/384459972.db2.gz DVBDXMUYXQFXOA-UKRRQHHQSA-N 1 1 247.338 2.428 10 0 BEAEMO COC(=O)CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114493631 384461404 /nfs/dbraw/zinc/46/14/04/384461404.db2.gz UCPQSRQMPMVFCV-CQSZACIVSA-N 1 1 237.343 2.372 10 0 BEAEMO COC(=O)CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493629 384461608 /nfs/dbraw/zinc/46/16/08/384461608.db2.gz UCPQSRQMPMVFCV-AWEZNQCLSA-N 1 1 237.343 2.372 10 0 BEAEMO C[C@H]1SCC[N@@H+](C2CCC(=O)CC2)[C@H]1C ZINC000157264090 384462767 /nfs/dbraw/zinc/46/27/67/384462767.db2.gz VWCZOFRGTBOMHX-VHSXEESVSA-N 1 1 227.373 2.324 10 0 BEAEMO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000305999252 384463113 /nfs/dbraw/zinc/46/31/13/384463113.db2.gz UVYCJSFDPCFGEA-NSHDSACASA-N 1 1 248.326 2.100 10 0 BEAEMO COC(=O)c1cccnc1C[N@H+]1CCC[C@H](C)C1 ZINC000305999252 384463121 /nfs/dbraw/zinc/46/31/21/384463121.db2.gz UVYCJSFDPCFGEA-NSHDSACASA-N 1 1 248.326 2.100 10 0 BEAEMO CC(=O)CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137535 384459121 /nfs/dbraw/zinc/45/91/21/384459121.db2.gz DVBDXMUYXQFXOA-DZGCQCFKSA-N 1 1 247.338 2.428 10 0 BEAEMO CC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000122137535 384459125 /nfs/dbraw/zinc/45/91/25/384459125.db2.gz DVBDXMUYXQFXOA-DZGCQCFKSA-N 1 1 247.338 2.428 10 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CC(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N ZINC000076647145 384698382 /nfs/dbraw/zinc/69/83/82/384698382.db2.gz GMILKAIXHXFOEF-KGLIPLIRSA-N 1 1 218.344 2.102 10 0 BEAEMO CSCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173650724 384707895 /nfs/dbraw/zinc/70/78/95/384707895.db2.gz IINJVQYAWYPBJC-GFCCVEGCSA-N 1 1 239.388 2.310 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C1CCCC1 ZINC000086930671 384722714 /nfs/dbraw/zinc/72/27/14/384722714.db2.gz IBSXMLRMFKTHFE-WCQYABFASA-N 1 1 208.349 2.098 10 0 BEAEMO C/C=C/[N@@H+](C)CCC[C@@H](O)c1cccnc1 ZINC000103584006 384778956 /nfs/dbraw/zinc/77/89/56/384778956.db2.gz FXHQYUYOAGYBTE-XOUYHXJHSA-N 1 1 220.316 2.361 10 0 in-vitro BEAEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000334827495 384742596 /nfs/dbraw/zinc/74/25/96/384742596.db2.gz QRNYNJFDCZWSGO-QWRGUYRKSA-N 1 1 246.310 2.031 10 0 BEAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC1 ZINC000163179265 384762936 /nfs/dbraw/zinc/76/29/36/384762936.db2.gz RUGNOGCTQBZGMN-MELADBBJSA-N 1 1 223.360 2.412 10 0 BEAEMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)c1 ZINC000105900968 384815896 /nfs/dbraw/zinc/81/58/96/384815896.db2.gz UUFJOKAYXUBXFD-KGLIPLIRSA-N 1 1 249.358 2.007 10 0 BEAEMO Cc1cnn([C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000105901178 384816768 /nfs/dbraw/zinc/81/67/68/384816768.db2.gz PILHJCCVMQHRBX-ZDUSSCGKSA-N 1 1 221.348 2.484 10 0 BEAEMO C[N@@H+](Cc1cscn1)C[C@@H]1CCCC[C@@H]1O ZINC000053884934 384811296 /nfs/dbraw/zinc/81/12/96/384811296.db2.gz AKDPIXAWLAWNAA-JQWIXIFHSA-N 1 1 240.372 2.126 10 0 BEAEMO C[N@H+](Cc1cscn1)C[C@@H]1CCCC[C@@H]1O ZINC000053884934 384811304 /nfs/dbraw/zinc/81/13/04/384811304.db2.gz AKDPIXAWLAWNAA-JQWIXIFHSA-N 1 1 240.372 2.126 10 0 BEAEMO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000255572057 384857096 /nfs/dbraw/zinc/85/70/96/384857096.db2.gz LOMMUZCFKRPZQI-BEHUGTBISA-N 1 1 248.370 2.204 10 0 BEAEMO CCC(C)(C)NC(=O)C[N@@H+](C)C1CCCC1 ZINC000053436282 384858843 /nfs/dbraw/zinc/85/88/43/384858843.db2.gz QEKDRGRHEZCIOG-UHFFFAOYSA-N 1 1 226.364 2.166 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H](F)C1 ZINC000336262879 384892319 /nfs/dbraw/zinc/89/23/19/384892319.db2.gz HLURNQCHKNYJFM-QWHCGFSZSA-N 1 1 228.355 2.293 10 0 BEAEMO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](N)C1 ZINC000062179929 384982513 /nfs/dbraw/zinc/98/25/13/384982513.db2.gz CEVQEUCFYMODHT-JSGCOSHPSA-N 1 1 218.344 2.041 10 0 BEAEMO C[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H](N)C1 ZINC000062179929 384982520 /nfs/dbraw/zinc/98/25/20/384982520.db2.gz CEVQEUCFYMODHT-JSGCOSHPSA-N 1 1 218.344 2.041 10 0 BEAEMO CSCCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156819548 384983703 /nfs/dbraw/zinc/98/37/03/384983703.db2.gz AXFAHLQLVGPXOI-OLZOCXBDSA-N 1 1 243.416 2.367 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccs1 ZINC000307333558 384989837 /nfs/dbraw/zinc/98/98/37/384989837.db2.gz QKXRZVHEHRMLLT-UWVGGRQHSA-N 1 1 211.330 2.093 10 0 BEAEMO Cc1cc(C[NH2+]Cc2ccccn2)sn1 ZINC000404422272 384991106 /nfs/dbraw/zinc/99/11/06/384991106.db2.gz TZCSPAVROLYWGY-UHFFFAOYSA-N 1 1 219.313 2.136 10 0 BEAEMO CC(C)C[C@H](C[NH+](C)C)NCc1ccns1 ZINC000404463833 385012662 /nfs/dbraw/zinc/01/26/62/385012662.db2.gz VRPVWQCKPOONOH-LLVKDONJSA-N 1 1 241.404 2.209 10 0 BEAEMO CC[C@H](C)C[N@@H+](CC)Cc1nnc(C)n1CC ZINC000177854353 385129648 /nfs/dbraw/zinc/12/96/48/385129648.db2.gz VQAJVDCQOKECDZ-NSHDSACASA-N 1 1 238.379 2.474 10 0 BEAEMO CC[C@@H](C)C[N@@H+](CC)Cc1nnc(C)n1CC ZINC000177854344 385129721 /nfs/dbraw/zinc/12/97/21/385129721.db2.gz VQAJVDCQOKECDZ-LLVKDONJSA-N 1 1 238.379 2.474 10 0 BEAEMO CC[C@](C)(O)C[N@H+]1CCc2sccc2C1 ZINC000119399817 385089682 /nfs/dbraw/zinc/08/96/82/385089682.db2.gz WOVCJXCQNMXYFV-LBPRGKRZSA-N 1 1 225.357 2.267 10 0 BEAEMO COc1ncccc1C[NH2+][C@H](C)c1cncs1 ZINC000128942945 385089715 /nfs/dbraw/zinc/08/97/15/385089715.db2.gz YIWDKPPRIMUWBU-SECBINFHSA-N 1 1 249.339 2.398 10 0 BEAEMO COc1ncccc1C[NH2+][C@@H](C)c1cncs1 ZINC000128942694 385090639 /nfs/dbraw/zinc/09/06/39/385090639.db2.gz YIWDKPPRIMUWBU-VIFPVBQESA-N 1 1 249.339 2.398 10 0 BEAEMO C[C@@H](Cc1ccccc1)[NH+]1CCC(=O)CC1 ZINC000062187358 385162334 /nfs/dbraw/zinc/16/23/34/385162334.db2.gz GGUGTDILXPSMFH-LBPRGKRZSA-N 1 1 217.312 2.283 10 0 BEAEMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)C1CCC1 ZINC000336326608 385206174 /nfs/dbraw/zinc/20/61/74/385206174.db2.gz SOMJAEVNRGAJIC-MWLCHTKSSA-N 1 1 219.332 2.045 10 0 BEAEMO Nc1ccnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000246863539 385248655 /nfs/dbraw/zinc/24/86/55/385248655.db2.gz PRDSWUPPKJOAAQ-NWDGAFQWSA-N 1 1 246.358 2.213 10 0 BEAEMO Cc1[nH]ncc1C[NH2+]CCC1=CCCC1 ZINC000120166455 385270201 /nfs/dbraw/zinc/27/02/01/385270201.db2.gz NBOVSOQUEIQVBI-UHFFFAOYSA-N 1 1 205.305 2.308 10 0 BEAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccco2)cn1 ZINC000131809856 385362613 /nfs/dbraw/zinc/36/26/13/385362613.db2.gz PYPTVAFXOCTUOT-CYBMUJFWSA-N 1 1 231.299 2.350 10 0 BEAEMO COC[C@H]1CCCC[N@@H+](C[C@](C)(O)C(C)C)C1 ZINC000364357352 385383144 /nfs/dbraw/zinc/38/31/44/385383144.db2.gz RLUUSMDZFQRTIR-KBPBESRZSA-N 1 1 243.391 2.142 10 0 BEAEMO Cc1csc([C@@H]2C[N@H+](CC3CC3)CCO2)n1 ZINC000155939260 385421450 /nfs/dbraw/zinc/42/14/50/385421450.db2.gz LQJDXVNWUMQKIN-NSHDSACASA-N 1 1 238.356 2.235 10 0 BEAEMO Cc1csc([C@@H]2C[N@@H+](CC3CC3)CCO2)n1 ZINC000155939260 385421452 /nfs/dbraw/zinc/42/14/52/385421452.db2.gz LQJDXVNWUMQKIN-NSHDSACASA-N 1 1 238.356 2.235 10 0 BEAEMO CCOC(=O)c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC000259411769 385428482 /nfs/dbraw/zinc/42/84/82/385428482.db2.gz IJJBURXJWOTGDD-ZDUSSCGKSA-N 1 1 233.311 2.282 10 0 BEAEMO C[N@H+]1CCC[C@H](c2ccccc2CCO)CC1 ZINC000258134948 385543415 /nfs/dbraw/zinc/54/34/15/385543415.db2.gz IJHRIMSFAZCCIN-ZDUSSCGKSA-N 1 1 233.355 2.421 10 0 BEAEMO Cn1cc([C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)cn1 ZINC000172057699 385544241 /nfs/dbraw/zinc/54/42/41/385544241.db2.gz WSRVHQJUPLIXGZ-OCCSQVGLSA-N 1 1 231.343 2.318 10 0 BEAEMO Cc1ccc(F)c([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000065436209 385630001 /nfs/dbraw/zinc/63/00/01/385630001.db2.gz NDIYGFDVTHWRHE-GFCCVEGCSA-N 1 1 231.274 2.092 10 0 BEAEMO COC(=O)[C@@H]1CCCCC[N@H+]1C(C)(C)C ZINC000260019317 385648765 /nfs/dbraw/zinc/64/87/65/385648765.db2.gz JYDOLDNORDMGGB-JTQLQIEISA-N 1 1 213.321 2.203 10 0 BEAEMO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)CC(C)(C)C1 ZINC000414864998 385771776 /nfs/dbraw/zinc/77/17/76/385771776.db2.gz CKCDTTSOKDNWMP-WOPDTQHZSA-N 1 1 210.365 2.153 10 0 BEAEMO CCS[C@H]1CCCC[N@@H+](CC(C)(C)O)C1 ZINC000112088203 385832290 /nfs/dbraw/zinc/83/22/90/385832290.db2.gz XELVASNOHIKXRV-NSHDSACASA-N 1 1 231.405 2.365 10 0 BEAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000112731888 385885701 /nfs/dbraw/zinc/88/57/01/385885701.db2.gz BDDUYFMGPXEMRB-GFCCVEGCSA-N 1 1 243.391 2.284 10 0 BEAEMO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000334522323 385939936 /nfs/dbraw/zinc/93/99/36/385939936.db2.gz NCWAHHFJORVGEX-KWQFWETISA-N 1 1 205.305 2.175 10 0 BEAEMO CC(C)(O)CC[N@H+]1C[C@H]2CCCCC[C@H]21 ZINC000366096299 386063120 /nfs/dbraw/zinc/06/31/20/386063120.db2.gz NTIZDBRKHVRGEJ-VXGBXAGGSA-N 1 1 211.349 2.412 10 0 BEAEMO Cc1ccc([C@H](C)N[C@@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC000336742546 386201159 /nfs/dbraw/zinc/20/11/59/386201159.db2.gz OIXYXLXDKOOEFH-ZMLRMANQSA-N 1 1 222.332 2.189 10 0 BEAEMO C[C@H]1C[NH2+][C@H](c2cncc(Cl)c2)S1 ZINC000575576254 386192254 /nfs/dbraw/zinc/19/22/54/386192254.db2.gz LNFWOJRBDXOZPB-RCOVLWMOSA-N 1 1 214.721 2.459 10 0 BEAEMO CC[N@H+]1CCCOC[C@@H]1c1ccc(N)cc1 ZINC000616599129 386192431 /nfs/dbraw/zinc/19/24/31/386192431.db2.gz HWULXWYOWBWEDF-CYBMUJFWSA-N 1 1 220.316 2.052 10 0 BEAEMO Cc1c[nH]nc1C[NH2+][C@H]1CCc2ccccc21 ZINC000290075290 386390003 /nfs/dbraw/zinc/39/00/03/386390003.db2.gz YNNWWNULXSHRPA-ZDUSSCGKSA-N 1 1 227.311 2.495 10 0 BEAEMO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)c1cccnc1 ZINC000160894677 386520400 /nfs/dbraw/zinc/52/04/00/386520400.db2.gz TTWAIDKNVFEKGQ-YRGRVCCFSA-N 1 1 233.359 2.263 10 0 BEAEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCc1ccccc1 ZINC000399219399 386458625 /nfs/dbraw/zinc/45/86/25/386458625.db2.gz VRVPRGPQDOBQRT-ZFWWWQNUSA-N 1 1 233.355 2.464 10 0 BEAEMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@@H]1C ZINC000238854752 386536639 /nfs/dbraw/zinc/53/66/39/386536639.db2.gz PDHCNXVSTTUMHE-OUCADQQQSA-N 1 1 247.338 2.489 10 0 BEAEMO CC(C)[N@H+]1CCCC[C@@H]1c1cncnc1 ZINC000616614502 386646147 /nfs/dbraw/zinc/64/61/47/386646147.db2.gz RZUABZOOMHZXAU-GFCCVEGCSA-N 1 1 205.305 2.412 10 0 BEAEMO OCCC[C@H]1CCC[N@H+]1CC1CC(F)(F)C1 ZINC000394946430 386732905 /nfs/dbraw/zinc/73/29/05/386732905.db2.gz IETPMPWLGOVLLU-LLVKDONJSA-N 1 1 233.302 2.269 10 0 BEAEMO C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)c1ccccc1 ZINC000396589032 386778911 /nfs/dbraw/zinc/77/89/11/386778911.db2.gz SLMLYLKXUWLUMH-OUCADQQQSA-N 1 1 218.344 2.478 10 0 BEAEMO Cc1ccc([C@@H]([NH3+])CN)c2ccccc12 ZINC000044469687 386780340 /nfs/dbraw/zinc/78/03/40/386780340.db2.gz MCLHQSWECLRUSD-ZDUSSCGKSA-N 1 1 200.285 2.107 10 0 BEAEMO Cc1cc(Cl)ccc1CNC[C@H]1CC[NH2+]C1 ZINC000398371105 386819261 /nfs/dbraw/zinc/81/92/61/386819261.db2.gz OOXGAFBKRCGZOC-NSHDSACASA-N 1 1 238.762 2.348 10 0 BEAEMO Cc1cccc(C)c1CNC[C@H]1CC[NH2+]C1 ZINC000398353929 386813542 /nfs/dbraw/zinc/81/35/42/386813542.db2.gz JUNCMSGLZLNJJH-ZDUSSCGKSA-N 1 1 218.344 2.003 10 0 BEAEMO c1cn([C@H]2CC[N@H+](CC3CCCCC3)C2)nn1 ZINC000585380350 386852546 /nfs/dbraw/zinc/85/25/46/386852546.db2.gz WKUHFCLVQWDBHF-ZDUSSCGKSA-N 1 1 234.347 2.105 10 0 BEAEMO C(C1CCC1)[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334791638 386856580 /nfs/dbraw/zinc/85/65/80/386856580.db2.gz XZPBNWIXKGZDPK-STQMWFEESA-N 1 1 221.344 2.287 10 0 BEAEMO CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398849402 387008463 /nfs/dbraw/zinc/00/84/63/387008463.db2.gz MEVUVSJJXWAPIN-RWMBFGLXSA-N 1 1 211.349 2.269 10 0 BEAEMO O[C@@H]1CC[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2C1 ZINC000398805990 386999227 /nfs/dbraw/zinc/99/92/27/386999227.db2.gz TVHJHHIUQIJNAU-IVZWLZJFSA-N 1 1 237.265 2.032 10 0 BEAEMO O[C@@H]1CCC[N@@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000575411064 387011274 /nfs/dbraw/zinc/01/12/74/387011274.db2.gz WHGFQYJYHLTXCN-SSDOTTSWSA-N 1 1 247.207 2.031 10 0 BEAEMO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119336997 387122479 /nfs/dbraw/zinc/12/24/79/387122479.db2.gz PAZBZWKQDLXCCI-CHWSQXEVSA-N 1 1 240.391 2.269 10 0 BEAEMO C[C@@H]1C[C@@H](c2cccs2)C[C@H](O)[N@H+]1C ZINC000536949696 387160380 /nfs/dbraw/zinc/16/03/80/387160380.db2.gz DLPLKOFQAYXVOD-KKZNHRDASA-N 1 1 211.330 2.264 10 0 BEAEMO CCC1(CC)C[NH2+]C[C@H]1c1cc(C)[nH]n1 ZINC000536951898 387163155 /nfs/dbraw/zinc/16/31/55/387163155.db2.gz ZRKUULLQHLMDPV-JTQLQIEISA-N 1 1 207.321 2.211 10 0 BEAEMO CC[C@H](C)[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000536957839 387171249 /nfs/dbraw/zinc/17/12/49/387171249.db2.gz HMWLFBIYEFOXTP-CABZTGNLSA-N 1 1 237.347 2.198 10 0 BEAEMO CC[C@H](C)[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000536957839 387171254 /nfs/dbraw/zinc/17/12/54/387171254.db2.gz HMWLFBIYEFOXTP-CABZTGNLSA-N 1 1 237.347 2.198 10 0 BEAEMO CC[C@@H](C)[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000536957844 387171959 /nfs/dbraw/zinc/17/19/59/387171959.db2.gz HMWLFBIYEFOXTP-SKDRFNHKSA-N 1 1 237.347 2.198 10 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2.458 10 0 BEAEMO [NH3+][C@@H](c1ccc[nH]1)c1occc1Br ZINC000575507224 387376160 /nfs/dbraw/zinc/37/61/60/387376160.db2.gz KMNCWIIXLMBPMJ-QMMMGPOBSA-N 1 1 241.088 2.418 10 0 BEAEMO Cc1[nH]ncc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000286220692 387323676 /nfs/dbraw/zinc/32/36/76/387323676.db2.gz SILWRFCQJUKEQF-CMPLNLGQSA-N 1 1 225.311 2.336 10 0 BEAEMO C[C@@H]1CC[N@H+]([C@H]2CCCCC2=O)CCS1 ZINC000306555432 387343461 /nfs/dbraw/zinc/34/34/61/387343461.db2.gz LUHRFWCGSBLWLN-MNOVXSKESA-N 1 1 227.373 2.326 10 0 BEAEMO NC[C@@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000035677031 387438523 /nfs/dbraw/zinc/43/85/23/387438523.db2.gz NDPPMYOFLQQIAG-MRVPVSSYSA-N 1 1 236.262 2.257 10 0 BEAEMO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3C)cnc2n1 ZINC000124342648 387613150 /nfs/dbraw/zinc/61/31/50/387613150.db2.gz NVLFXPSSOXSNDY-LLVKDONJSA-N 1 1 244.342 2.330 10 0 BEAEMO Cc1nnc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1C1CC1 ZINC000122924810 387615967 /nfs/dbraw/zinc/61/59/67/387615967.db2.gz MGNSBSJGEAJYQM-AOOOYVTPSA-N 1 1 234.347 2.294 10 0 BEAEMO CCSCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000122926743 387617314 /nfs/dbraw/zinc/61/73/14/387617314.db2.gz ROPNMUIYZYGDFC-RYUDHWBXSA-N 1 1 229.389 2.383 10 0 BEAEMO Cc1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000120685413 387573122 /nfs/dbraw/zinc/57/31/22/387573122.db2.gz JYFPNDYUGPUDDV-YPMHNXCESA-N 1 1 231.343 2.427 10 0 BEAEMO COC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124899239 387637275 /nfs/dbraw/zinc/63/72/75/387637275.db2.gz VBWBTSYUXJEEEA-FQUUOJAGSA-N 1 1 241.375 2.037 10 0 BEAEMO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000422772463 387671383 /nfs/dbraw/zinc/67/13/83/387671383.db2.gz YRYWCQSPSMBYEQ-RKDXNWHRSA-N 1 1 210.346 2.007 10 0 BEAEMO Cn1cc([C@@H]2CC[N@@H+](CC(C)(C)C)C2)cn1 ZINC000128544529 387749661 /nfs/dbraw/zinc/74/96/61/387749661.db2.gz QDYIFRCQDALHBY-LLVKDONJSA-N 1 1 221.348 2.256 10 0 BEAEMO Cc1ccc(C[N@H+]2CCCC[C@@H](CO)C2)o1 ZINC000377236841 387705876 /nfs/dbraw/zinc/70/58/76/387705876.db2.gz GSNARFXNCPDEPI-GFCCVEGCSA-N 1 1 223.316 2.182 10 0 BEAEMO C[C@@H](c1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193607300 387857598 /nfs/dbraw/zinc/85/75/98/387857598.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 1 1 248.345 2.380 10 0 BEAEMO C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193607300 387857600 /nfs/dbraw/zinc/85/76/00/387857600.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 1 1 248.345 2.380 10 0 BEAEMO C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193607300 387857605 /nfs/dbraw/zinc/85/76/05/387857605.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 1 1 248.345 2.380 10 0 BEAEMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C2CCC2)C1 ZINC000194869000 387898208 /nfs/dbraw/zinc/89/82/08/387898208.db2.gz YACZMYFVUTVQMZ-AWEZNQCLSA-N 1 1 239.359 2.450 10 0 BEAEMO CCC(CC)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195061335 387902756 /nfs/dbraw/zinc/90/27/56/387902756.db2.gz DIGFMJBJRYDFTO-ZDUSSCGKSA-N 1 1 238.375 2.119 10 0 BEAEMO COCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195323629 387920309 /nfs/dbraw/zinc/92/03/09/387920309.db2.gz WEAVTMYIXQBCJA-NSHDSACASA-N 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CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000035207000 171335072 /nfs/dbraw/zinc/33/50/72/171335072.db2.gz IBJVMMLKEZEEGP-DCAQKATOSA-N 1 1 238.331 2.233 10 0 BEAEMO CC[C@H](C)[C@@H](N)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073517 171372213 /nfs/dbraw/zinc/37/22/13/171372213.db2.gz UUXOUHJJKYPAKH-RNJOBUHISA-N 1 1 212.381 2.338 10 0 BEAEMO CC[C@H](C)[C@@H]([NH3+])CN1C[C@H](C)C[C@H](C)C1 ZINC000020073517 171372214 /nfs/dbraw/zinc/37/22/14/171372214.db2.gz UUXOUHJJKYPAKH-RNJOBUHISA-N 1 1 212.381 2.338 10 0 BEAEMO CC(C)(C)[N@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616600519 412202356 /nfs/dbraw/zinc/20/23/56/412202356.db2.gz CEGBJJYIUZLGKU-NSHDSACASA-N 1 1 236.363 2.475 10 0 BEAEMO CCc1[nH+]c(-c2cccnc2)c(N)n1CC ZINC000105032821 171938685 /nfs/dbraw/zinc/93/86/85/171938685.db2.gz KPKIQXBKAKMWCA-UHFFFAOYSA-N 1 1 216.288 2.110 10 0 BEAEMO CCc1nc([C@@H]([NH3+])c2ccc(F)c(C)c2)no1 ZINC000050559494 172004078 /nfs/dbraw/zinc/00/40/78/172004078.db2.gz PPPKTNOHWOFSRH-NSHDSACASA-N 1 1 235.262 2.128 10 0 BEAEMO CCc1nc([C@@H]([NH3+])c2cccc(C)c2C)no1 ZINC000049796263 172004646 /nfs/dbraw/zinc/00/46/46/172004646.db2.gz DNQWPIGFSSRREY-LBPRGKRZSA-N 1 1 231.299 2.297 10 0 BEAEMO CCc1nc([C@H]([NH3+])c2cc(C)ccc2C)no1 ZINC000049671059 172007309 /nfs/dbraw/zinc/00/73/09/172007309.db2.gz RRTHBYSPYBPOFG-GFCCVEGCSA-N 1 1 231.299 2.297 10 0 BEAEMO CCc1[nH+]ccn1Cc1nc(N)ccc1Cl ZINC000061639735 172027025 /nfs/dbraw/zinc/02/70/25/172027025.db2.gz XMVGCUUKULEMTR-UHFFFAOYSA-N 1 1 236.706 2.124 10 0 BEAEMO CCc1[nH+]ccn1Cc1cc(F)ccc1N ZINC000042419596 172027747 /nfs/dbraw/zinc/02/77/47/172027747.db2.gz YLFZEJZCHQNFCX-UHFFFAOYSA-N 1 1 219.263 2.215 10 0 BEAEMO CCn1c(N)c(C)[nH+]c1-c1ccccc1 ZINC000104907910 172130503 /nfs/dbraw/zinc/13/05/03/172130503.db2.gz NVHKPYMDNIDBSG-UHFFFAOYSA-N 1 1 201.273 2.461 10 0 BEAEMO CCn1cccc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000091025240 172209517 /nfs/dbraw/zinc/20/95/17/172209517.db2.gz RFGNMLLHEHBWJB-AWEZNQCLSA-N 1 1 249.402 2.472 10 0 BEAEMO CCn1nccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000119090530 172272319 /nfs/dbraw/zinc/27/23/19/172272319.db2.gz HGBWMNDIQZZQAF-CYBMUJFWSA-N 1 1 243.310 2.126 10 0 BEAEMO C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000017299065 173009371 /nfs/dbraw/zinc/00/93/71/173009371.db2.gz JGAYLCZXGQAXQC-STQMWFEESA-N 1 1 205.301 2.204 10 0 BEAEMO C[N@H+]1CCC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715829 173020647 /nfs/dbraw/zinc/02/06/47/173020647.db2.gz HYQHLKOXJPPMLD-SNVBAGLBSA-N 1 1 239.750 2.428 10 0 BEAEMO C[N@H+]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000040673514 173023971 /nfs/dbraw/zinc/02/39/71/173023971.db2.gz HBOVMRUVPVULED-SECBINFHSA-N 1 1 225.723 2.241 10 0 BEAEMO C[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000003638700 173039923 /nfs/dbraw/zinc/03/99/23/173039923.db2.gz GKNNRYJKHVPYCJ-ZDUSSCGKSA-N 1 1 233.311 2.072 10 0 BEAEMO CN1CCC[C@H](C[NH2+]C2(C)CCCC2)C1 ZINC000054243540 173042036 /nfs/dbraw/zinc/04/20/36/173042036.db2.gz MZUKKEXMKBFVCU-GFCCVEGCSA-N 1 1 210.365 2.251 10 0 BEAEMO C[N@H+]1CCC[C@H](CNOCc2ccccc2)C1 ZINC000083106286 173043070 /nfs/dbraw/zinc/04/30/70/173043070.db2.gz PNHLBOHOGXPOGT-CQSZACIVSA-N 1 1 234.343 2.050 10 0 BEAEMO C[N@H+]1CC[C@@H](CNCc2ccc(Cl)s2)C1 ZINC000037484773 173115740 /nfs/dbraw/zinc/11/57/40/173115740.db2.gz PQPSGOKKSTUZJN-VIFPVBQESA-N 1 1 244.791 2.443 10 0 BEAEMO C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000216039997 173117406 /nfs/dbraw/zinc/11/74/06/173117406.db2.gz DUXQDTZEIPNHRZ-ZIAGYGMSSA-N 1 1 218.344 2.036 10 0 BEAEMO C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000216039997 173117409 /nfs/dbraw/zinc/11/74/09/173117409.db2.gz DUXQDTZEIPNHRZ-ZIAGYGMSSA-N 1 1 218.344 2.036 10 0 BEAEMO C[N@H+]1CC[C@@H](CNc2ncccc2Cl)C1 ZINC000037485176 173118295 /nfs/dbraw/zinc/11/82/95/173118295.db2.gz MINXIEMFVXWFRT-VIFPVBQESA-N 1 1 225.723 2.099 10 0 BEAEMO C[N@H+]1CC[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000037485178 173118551 /nfs/dbraw/zinc/11/85/51/173118551.db2.gz LRUHBJIGHJLDNU-VIFPVBQESA-N 1 1 225.723 2.099 10 0 BEAEMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CO)C1 ZINC000013779622 173128330 /nfs/dbraw/zinc/12/83/30/173128330.db2.gz MVNHJEXPDKVMJY-YPMHNXCESA-N 1 1 239.746 2.368 10 0 BEAEMO C[N@@H+]1CC[C@H](CNCc2cccc(Cl)c2)C1 ZINC000037484680 173146554 /nfs/dbraw/zinc/14/65/54/173146554.db2.gz FZSXLTDQEVQDQN-GFCCVEGCSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@H](CNCc2cccc(Cl)c2)C1 ZINC000037484680 173146557 /nfs/dbraw/zinc/14/65/57/173146557.db2.gz FZSXLTDQEVQDQN-GFCCVEGCSA-N 1 1 238.762 2.381 10 0 BEAEMO C[N@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000049168873 173158220 /nfs/dbraw/zinc/15/82/20/173158220.db2.gz HNGIJUZVDGTUID-VIFPVBQESA-N 1 1 202.257 2.247 10 0 BEAEMO C[N@@H+]1CCc2c(N)cc(Br)cc2C1 ZINC000082790276 173167412 /nfs/dbraw/zinc/16/74/12/173167412.db2.gz UFEMICUZZCCFSQ-UHFFFAOYSA-N 1 1 241.132 2.019 10 0 BEAEMO C[N@H+]1CCc2c(N)cc(Br)cc2C1 ZINC000082790276 173167414 /nfs/dbraw/zinc/16/74/14/173167414.db2.gz UFEMICUZZCCFSQ-UHFFFAOYSA-N 1 1 241.132 2.019 10 0 BEAEMO C[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 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ZINC000043514680 175228890 /nfs/dbraw/zinc/22/88/90/175228890.db2.gz RCQXUONOCBTVKS-SSDOTTSWSA-N 1 1 237.328 2.011 10 0 BEAEMO COc1cccc(-c2n[nH]c3c2C[N@@H+](C)CC3)c1 ZINC000082807635 175236395 /nfs/dbraw/zinc/23/63/95/175236395.db2.gz NSMFKLPKTIKWNL-UHFFFAOYSA-N 1 1 243.310 2.073 10 0 BEAEMO COc1cccc(-c2[nH]nc3c2C[N@H+](C)CC3)c1 ZINC000082807635 175236397 /nfs/dbraw/zinc/23/63/97/175236397.db2.gz NSMFKLPKTIKWNL-UHFFFAOYSA-N 1 1 243.310 2.073 10 0 BEAEMO COc1cccc(-c2[nH]nc3c2C[N@@H+](C)CC3)c1 ZINC000082807635 175236400 /nfs/dbraw/zinc/23/64/00/175236400.db2.gz NSMFKLPKTIKWNL-UHFFFAOYSA-N 1 1 243.310 2.073 10 0 BEAEMO COc1cccc(C[NH+]2[C@H](C)COC[C@H]2C)c1 ZINC000077657892 175261424 /nfs/dbraw/zinc/26/14/24/175261424.db2.gz PPJYGCRFUCZLTA-VXGBXAGGSA-N 1 1 235.327 2.304 10 0 BEAEMO COc1cccc([C@@H](CN)[N@H+](C)CC2CC2)c1 ZINC000020225830 175288009 /nfs/dbraw/zinc/28/80/09/175288009.db2.gz ZUQNKRMCAAIEIO-CQSZACIVSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1cccc([C@@H](CN)[N@@H+](C)CC2CC2)c1 ZINC000020225830 175288010 /nfs/dbraw/zinc/28/80/10/175288010.db2.gz ZUQNKRMCAAIEIO-CQSZACIVSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1cccc([C@H](CN)[N@@H+]2CC[C@H](C)C2)c1 ZINC000040717495 175294022 /nfs/dbraw/zinc/29/40/22/175294022.db2.gz ZOELWTMJKQLPRC-FZMZJTMJSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1cccc([C@H](CN)[N@H+]2CC[C@H](C)C2)c1 ZINC000040717495 175294023 /nfs/dbraw/zinc/29/40/23/175294023.db2.gz ZOELWTMJKQLPRC-FZMZJTMJSA-N 1 1 234.343 2.037 10 0 BEAEMO COc1cccc([C@H]([C@H](C)N)[NH+]2CCCC2)c1 ZINC000043025404 175295884 /nfs/dbraw/zinc/29/58/84/175295884.db2.gz NUYDEGMHCVTPIO-FZMZJTMJSA-N 1 1 234.343 2.179 10 0 BEAEMO COc1cccc([C@H]2C[N@H+](C(C)C)CCN2)c1 ZINC000077369942 175296207 /nfs/dbraw/zinc/29/62/07/175296207.db2.gz JVGAJYDBWLHABG-CQSZACIVSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1cccc([C@H]2CN(C(C)C)CC[NH2+]2)c1 ZINC000077369942 175296209 /nfs/dbraw/zinc/29/62/09/175296209.db2.gz JVGAJYDBWLHABG-CQSZACIVSA-N 1 1 234.343 2.050 10 0 BEAEMO COc1cccc2c1CC[C@H]2c1[nH]cc[nH+]1 ZINC000029046382 175302995 /nfs/dbraw/zinc/30/29/95/175302995.db2.gz IEVQENKCCRQYBX-LLVKDONJSA-N 1 1 214.268 2.496 10 0 BEAEMO COc1ccccc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000036102851 175326053 /nfs/dbraw/zinc/32/60/53/175326053.db2.gz YCIREIJVARIFSF-GFCCVEGCSA-N 1 1 237.343 2.286 10 0 BEAEMO COc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000226279763 175326398 /nfs/dbraw/zinc/32/63/98/175326398.db2.gz YRZGTTZBANNEMK-CHWSQXEVSA-N 1 1 235.327 2.040 10 0 BEAEMO COc1ccccc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000294930698 175327391 /nfs/dbraw/zinc/32/73/91/175327391.db2.gz GFJMSGGDEGSOQI-AAEUAGOBSA-N 1 1 235.327 2.040 10 0 BEAEMO COc1ccccc1CNc1[nH+]cccc1N ZINC000020213639 175331541 /nfs/dbraw/zinc/33/15/41/175331541.db2.gz ACTJNHNJWILCHB-UHFFFAOYSA-N 1 1 229.283 2.285 10 0 BEAEMO COc1ccccc1C[C@@](C)(CN)[N@H+](C)C1CC1 ZINC000037734898 175332404 /nfs/dbraw/zinc/33/24/04/175332404.db2.gz MDEBHFMKLOXHCC-HNNXBMFYSA-N 1 1 248.370 2.049 10 0 BEAEMO COc1ccccc1C[C@@](C)(CN)[N@@H+](C)C1CC1 ZINC000037734898 175332405 /nfs/dbraw/zinc/33/24/05/175332405.db2.gz MDEBHFMKLOXHCC-HNNXBMFYSA-N 1 1 248.370 2.049 10 0 BEAEMO COc1ccccc1[C@@H](CN)[N@H+](C)CC(C)C ZINC000020225778 175345784 /nfs/dbraw/zinc/34/57/84/175345784.db2.gz VLNQZHKYQWABKS-CYBMUJFWSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1ccccc1[C@@H](CN)[N@@H+](C)CC(C)C ZINC000020225778 175345786 /nfs/dbraw/zinc/34/57/86/175345786.db2.gz VLNQZHKYQWABKS-CYBMUJFWSA-N 1 1 236.359 2.283 10 0 BEAEMO COc1ccccc1[C@@H]([NH3+])CN1CCCCC1 ZINC000023066660 175347343 /nfs/dbraw/zinc/34/73/43/175347343.db2.gz CSYGAOTYBWQVHO-ZDUSSCGKSA-N 1 1 234.343 2.181 10 0 BEAEMO COc1ccccc1[C@H]([C@H](C)N)[NH+]1CCCC1 ZINC000043096596 175354298 /nfs/dbraw/zinc/35/42/98/175354298.db2.gz NDMSVXBADPAGEN-FZMZJTMJSA-N 1 1 234.343 2.179 10 0 BEAEMO C[C@@H]([NH3+])c1nnc(-c2cccs2)s1 ZINC000083297053 175822149 /nfs/dbraw/zinc/82/21/49/175822149.db2.gz FQOZZWRPHWMFFO-RXMQYKEDSA-N 1 1 211.315 2.286 10 0 BEAEMO C[C@@H]([C@H](O)c1ccccc1)[N@H+]1CCCO[C@H](C)C1 ZINC000061932773 176012513 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/nfs/dbraw/zinc/07/02/70/176070270.db2.gz CBSLLBUIYTZLIE-GFCCVEGCSA-N 1 1 222.332 2.244 10 0 BEAEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)C1CCCC1 ZINC000050272029 176075078 /nfs/dbraw/zinc/07/50/78/176075078.db2.gz YFNZHVCWNYYCPO-YPMHNXCESA-N 1 1 210.365 2.378 10 0 BEAEMO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1ccncc1 ZINC000036775726 176083242 /nfs/dbraw/zinc/08/32/42/176083242.db2.gz ZZDBJKTZMIKCAJ-HIFRSBDPSA-N 1 1 247.386 2.421 10 0 BEAEMO C[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)Cc1ccncc1 ZINC000036775726 176083244 /nfs/dbraw/zinc/08/32/44/176083244.db2.gz ZZDBJKTZMIKCAJ-HIFRSBDPSA-N 1 1 247.386 2.421 10 0 BEAEMO C[C@@H]1CCCC[C@@]1(CN)[N@@H+](C)CC1CC1 ZINC000037925262 176083549 /nfs/dbraw/zinc/08/35/49/176083549.db2.gz COXGYQIZLJDOFG-YPMHNXCESA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@@H]1CCC[N@H+](Cc2ccc(CN)o2)[C@@H]1C ZINC000052373314 176102230 /nfs/dbraw/zinc/10/22/30/176102230.db2.gz OMEXHCWLITZGBI-GHMZBOCLSA-N 1 1 222.332 2.359 10 0 BEAEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CN)o2)[C@@H]1C ZINC000052373314 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C[C@@H]1CC[C@H](N)[C@H]([N@@H+](C)CCc2ccncc2)C1 ZINC000048259971 176228970 /nfs/dbraw/zinc/22/89/70/176228970.db2.gz VVCKZKSTBMHRHR-VHDGCEQUSA-N 1 1 247.386 2.072 10 0 BEAEMO C[C@@H]1C[N@H+]([C@H]2CNc3ccccc3C2)CCCO1 ZINC000061919027 176318244 /nfs/dbraw/zinc/31/82/44/176318244.db2.gz MJEGTJRZDLVVDW-TZMCWYRMSA-N 1 1 246.354 2.134 10 0 BEAEMO C[C@@H]1C[N@H+]([C@H]2CNc3ccccc3C2)[C@H](C)CO1 ZINC000037761130 176318413 /nfs/dbraw/zinc/31/84/13/176318413.db2.gz PAPGPRNYPJDXRF-YRGRVCCFSA-N 1 1 246.354 2.132 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1 ZINC000247516164 176324281 /nfs/dbraw/zinc/32/42/81/176324281.db2.gz WHGZXGFIICZOAB-DOMZBBRYSA-N 1 1 248.345 2.494 10 0 BEAEMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc2c[nH]nc2c1 ZINC000129984294 176346984 /nfs/dbraw/zinc/34/69/84/176346984.db2.gz NENXEMMDQQJZEC-GHMZBOCLSA-N 1 1 245.326 2.172 10 0 BEAEMO C[C@@H]1C[C@@H](C)CN(CC2([NH3+])CCCC2)C1 ZINC000037479584 176361179 /nfs/dbraw/zinc/36/11/79/176361179.db2.gz XQWRZUVXVDLOOQ-VXGBXAGGSA-N 1 1 210.365 2.236 10 0 BEAEMO C[C@@H]1C[C@@H](N(C)C(=O)C2CCCC2)CC[N@H+]1C ZINC000123694488 176371188 /nfs/dbraw/zinc/37/11/88/176371188.db2.gz GJZOCIPZHDGIPC-YPMHNXCESA-N 1 1 238.375 2.118 10 0 BEAEMO C[C@@]1(O)CCC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000163589622 176541056 /nfs/dbraw/zinc/54/10/56/176541056.db2.gz CSMJFWNRCOFKRJ-DZGCQCFKSA-N 1 1 231.339 2.173 10 0 BEAEMO C[C@H](c1cccc(N)c1)[N@@H+](C)C1CCN(C)CC1 ZINC000042288342 177036646 /nfs/dbraw/zinc/03/66/46/177036646.db2.gz WYKXXSIISAFAIZ-GFCCVEGCSA-N 1 1 247.386 2.356 10 0 BEAEMO C[C@H](c1cccs1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000035737083 177048414 /nfs/dbraw/zinc/04/84/14/177048414.db2.gz XZDHMSCIVWBHAY-NXEZZACHSA-N 1 1 210.346 2.090 10 0 BEAEMO C[C@H]1CCCC[N@@H+]1Cc1ccc(CN)o1 ZINC000052378728 177077813 /nfs/dbraw/zinc/07/78/13/177077813.db2.gz DWMHOKLAUNIGJR-JTQLQIEISA-N 1 1 208.305 2.113 10 0 BEAEMO C[C@H]1CCCC[N@H+]1Cc1ccc(CN)o1 ZINC000052378728 177077814 /nfs/dbraw/zinc/07/78/14/177077814.db2.gz DWMHOKLAUNIGJR-JTQLQIEISA-N 1 1 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643542493 /nfs/dbraw/zinc/54/24/93/643542493.db2.gz QASIPKFYLXKUBS-DZGCQCFKSA-N 1 1 249.354 2.139 10 0 BEAEMO CCC[C@H]([NH3+])c1nc(-c2ccc(C)o2)no1 ZINC000074047169 643642967 /nfs/dbraw/zinc/64/29/67/643642967.db2.gz FPAAOWLWOZGLCT-QMMMGPOBSA-N 1 1 221.260 2.438 10 0 BEAEMO C[NH2+]C[C@@H]1CCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250770550 644779385 /nfs/dbraw/zinc/77/93/85/644779385.db2.gz UTUQLICAIZRQDS-AEGPPILISA-N 1 1 230.355 2.084 10 0 BEAEMO COC(=O)[C@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C ZINC000303315354 644816516 /nfs/dbraw/zinc/81/65/16/644816516.db2.gz NDPAUTMABMOHDQ-YPMHNXCESA-N 1 1 239.359 2.308 10 0 BEAEMO COC(=O)[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000304239647 644879046 /nfs/dbraw/zinc/87/90/46/644879046.db2.gz CVVKSZLIFKYSPP-MNOVXSKESA-N 1 1 229.364 2.456 10 0 BEAEMO COC(=O)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000304239650 644881050 /nfs/dbraw/zinc/88/10/50/644881050.db2.gz CVVKSZLIFKYSPP-WDEREUQCSA-N 1 1 229.364 2.456 10 0 BEAEMO COC(=O)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000304239645 644878799 /nfs/dbraw/zinc/87/87/99/644878799.db2.gz CVVKSZLIFKYSPP-GHMZBOCLSA-N 1 1 229.364 2.456 10 0 BEAEMO C(c1noc([C@@H]2CCCC[NH2+]2)n1)C1CCC1 ZINC000304588170 644918933 /nfs/dbraw/zinc/91/89/33/644918933.db2.gz KOQWYXRFLXMZIO-JTQLQIEISA-N 1 1 221.304 2.227 10 0 BEAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCC1CC1 ZINC000253081350 644935134 /nfs/dbraw/zinc/93/51/34/644935134.db2.gz WFXQHBJPFIBXPL-JSGCOSHPSA-N 1 1 222.376 2.345 10 0 BEAEMO C[N@@H+](Cc1ccc(Cl)cc1)Cn1cnnc1 ZINC000118971838 645701973 /nfs/dbraw/zinc/70/19/73/645701973.db2.gz ZZDZOLLGYOIVMO-UHFFFAOYSA-N 1 1 236.706 2.021 10 0 BEAEMO C[N@H+](Cc1ccc(Cl)cc1)Cn1cnnc1 ZINC000118971838 645701977 /nfs/dbraw/zinc/70/19/77/645701977.db2.gz ZZDZOLLGYOIVMO-UHFFFAOYSA-N 1 1 236.706 2.021 10 0 BEAEMO CC[N@@H+]1CC[C@@H](NCc2cc(C)oc2C)C1 ZINC000709180512 712204500 /nfs/dbraw/zinc/20/45/00/712204500.db2.gz IVRLRGWVTVLNDD-CYBMUJFWSA-N 1 1 222.332 2.080 10 0 BEAEMO CC[N@H+]1CC[C@@H](NCc2cc(C)oc2C)C1 ZINC000709180512 712204503 /nfs/dbraw/zinc/20/45/03/712204503.db2.gz IVRLRGWVTVLNDD-CYBMUJFWSA-N 1 1 222.332 2.080 10 0 BEAEMO CO[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)[C@](C)(CN)C1 ZINC000710765678 712256540 /nfs/dbraw/zinc/25/65/40/712256540.db2.gz SCUGPKOVDFPJBL-DYEKYZERSA-N 1 1 242.407 2.107 10 0 BEAEMO CO[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)[C@](C)(CN)C1 ZINC000710765678 712256542 /nfs/dbraw/zinc/25/65/42/712256542.db2.gz SCUGPKOVDFPJBL-DYEKYZERSA-N 1 1 242.407 2.107 10 0 BEAEMO CC(F)(F)CCC[N@H+]1CC[C@@H](CCO)C1 ZINC000718669596 712776713 /nfs/dbraw/zinc/77/67/13/712776713.db2.gz DTRSTDVPIIPGQT-JTQLQIEISA-N 1 1 221.291 2.126 10 0 BEAEMO Cc1cnc([C@@H](C)[NH2+]CCc2ccns2)o1 ZINC000719856589 712824867 /nfs/dbraw/zinc/82/48/67/712824867.db2.gz ZICXMZTUWYOPOR-SECBINFHSA-N 1 1 237.328 2.333 10 0 BEAEMO C[C@H](CN1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932641 712880181 /nfs/dbraw/zinc/88/01/81/712880181.db2.gz WPTAARIXFWXDNM-UPJWGTAASA-N 1 1 224.392 2.495 10 0 BEAEMO Cc1cnc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000724034000 710736413 /nfs/dbraw/zinc/73/64/13/710736413.db2.gz NJXZCTSLPYJDLV-OLZOCXBDSA-N 1 1 233.359 2.058 10 0 BEAEMO CCC[C@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000036830865 711480005 /nfs/dbraw/zinc/48/00/05/711480005.db2.gz FSVMAVKYBTVYHY-JTQLQIEISA-N 1 1 233.271 2.242 10 0 BEAEMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)n2)C1 ZINC000723619399 711526607 /nfs/dbraw/zinc/52/66/07/711526607.db2.gz HUWOQNWNOPAHSK-CQSZACIVSA-N 1 1 246.354 2.499 10 0 BEAEMO Cc1cnc(CN[C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000724023870 711556780 /nfs/dbraw/zinc/55/67/80/711556780.db2.gz PQLMNLAZDKDREC-KBPBESRZSA-N 1 1 247.386 2.306 10 0 BEAEMO Cc1cc(C[NH2+]Cc2ncc(C)cc2C)n(C)n1 ZINC000724096534 711560472 /nfs/dbraw/zinc/56/04/72/711560472.db2.gz YISFHQGVZLBJCD-UHFFFAOYSA-N 1 1 244.342 2.030 10 0 BEAEMO CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000724189997 711567637 /nfs/dbraw/zinc/56/76/37/711567637.db2.gz WGZHDJVRVPRDEK-KFWWJZLASA-N 1 1 249.354 2.003 10 0 BEAEMO COC(=O)[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1C ZINC000718587927 711661904 /nfs/dbraw/zinc/66/19/04/711661904.db2.gz SIDFRFNLAUXOAC-ZJUUUORDSA-N 1 1 249.301 2.163 10 0 BEAEMO COC(=O)[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1C ZINC000718587926 711661969 /nfs/dbraw/zinc/66/19/69/711661969.db2.gz SIDFRFNLAUXOAC-VHSXEESVSA-N 1 1 249.301 2.163 10 0 BEAEMO Cl/C=C\C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000255780654 711664925 /nfs/dbraw/zinc/66/49/25/711664925.db2.gz XWYPOGKEXJICPE-PZBKNZOISA-N 1 1 238.718 2.287 10 0 BEAEMO Cl/C=C\C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000255780654 711664926 /nfs/dbraw/zinc/66/49/26/711664926.db2.gz XWYPOGKEXJICPE-PZBKNZOISA-N 1 1 238.718 2.287 10 0 BEAEMO O[C@@H](C[N@H+]1C[C@H]2CCC[C@H]21)c1ccccc1 ZINC000706782468 712155483 /nfs/dbraw/zinc/15/54/83/712155483.db2.gz BKLGRIJUNVIROX-MCIONIFRSA-N 1 1 217.312 2.204 10 0 BEAEMO C[NH2+][C@H](C)c1nc(CC2CCCCC2)no1 ZINC000379133116 712370314 /nfs/dbraw/zinc/37/03/14/712370314.db2.gz WCQWGVSXLFAAFW-SECBINFHSA-N 1 1 223.320 2.473 10 0 BEAEMO C=C/C=C/CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000713739900 712470505 /nfs/dbraw/zinc/47/05/05/712470505.db2.gz RLUZCAWUIURDIU-WEHDMVHDSA-N 1 1 220.360 2.287 10 0 BEAEMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714329043 712482281 /nfs/dbraw/zinc/48/22/81/712482281.db2.gz FEXNPOHDYQLJQK-JHJVBQTASA-N 1 1 241.375 2.037 10 0 BEAEMO CCC[C@@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000036830866 712502253 /nfs/dbraw/zinc/50/22/53/712502253.db2.gz FSVMAVKYBTVYHY-SNVBAGLBSA-N 1 1 233.271 2.242 10 0 BEAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nocc1C ZINC000720365993 712835945 /nfs/dbraw/zinc/83/59/45/712835945.db2.gz GJYVBCXZDQNBAS-CHWSQXEVSA-N 1 1 249.358 2.042 10 0 BEAEMO Cc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1C ZINC000720596245 712856567 /nfs/dbraw/zinc/85/65/67/712856567.db2.gz QGVYBYKCEVCFPT-LBPRGKRZSA-N 1 1 244.342 2.283 10 0 BEAEMO C[NH2+]CCN(c1ccnc(C)c1Cl)C(C)C ZINC000720799185 712866519 /nfs/dbraw/zinc/86/65/19/712866519.db2.gz MCTOMLLNYJOVHU-UHFFFAOYSA-N 1 1 241.766 2.478 10 0 BEAEMO CCc1ccc(CNC[C@H]2CCCC[N@@H+]2C)o1 ZINC000051724962 1171911621 /nfs/dbraw/zinc/91/16/21/1171911621.db2.gz TZYRYCNENYHRMS-GFCCVEGCSA-N 1 1 236.359 2.416 10 0 BEAEMO CCc1ccc(CNC[C@H]2CCCC[N@H+]2C)o1 ZINC000051724962 1171911627 /nfs/dbraw/zinc/91/16/27/1171911627.db2.gz TZYRYCNENYHRMS-GFCCVEGCSA-N 1 1 236.359 2.416 10 0 BEAEMO CCc1ccccc1CNCCC[NH+](C)C ZINC000052200236 1171947993 /nfs/dbraw/zinc/94/79/93/1171947993.db2.gz HQQRIFSXLJYJAV-UHFFFAOYSA-N 1 1 220.360 2.290 10 0 BEAEMO CCc1ccccc1C[NH2+]CCCN(C)C ZINC000052200236 1171948005 /nfs/dbraw/zinc/94/80/05/1171948005.db2.gz HQQRIFSXLJYJAV-UHFFFAOYSA-N 1 1 220.360 2.290 10 0 BEAEMO CC[N@@H+]1CC[C@H](N)[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954100 538898814 /nfs/dbraw/zinc/89/88/14/538898814.db2.gz LASOZELEFIPBGQ-MROQNXINSA-N 1 1 210.365 2.234 10 0 BEAEMO CC[N@H+]1CC[C@H](N)[C@]12C[C@H](C)CC[C@@H]2C ZINC000685954100 538898816 /nfs/dbraw/zinc/89/88/16/538898816.db2.gz LASOZELEFIPBGQ-MROQNXINSA-N 1 1 210.365 2.234 10 0 BEAEMO C/C=C/COCC(F)(F)C[NH2+]C(C)C ZINC000685956118 538902171 /nfs/dbraw/zinc/90/21/71/538902171.db2.gz MYXZBLDPKRFBFU-SNAWJCMRSA-N 1 1 207.264 2.212 10 0 BEAEMO CC[NH2+]CC(F)(F)CN(C)Cc1ccccc1 ZINC000685956434 538903087 /nfs/dbraw/zinc/90/30/87/538903087.db2.gz DNELHOQDSQOWJW-UHFFFAOYSA-N 1 1 242.313 2.363 10 0 BEAEMO CCC(CC)COCC(F)(F)C[NH2+]C ZINC000685956493 538903130 /nfs/dbraw/zinc/90/31/30/538903130.db2.gz DWBSEDAXFDBRRU-UHFFFAOYSA-N 1 1 209.280 2.294 10 0 BEAEMO CC[NH2+]CC(F)(F)CO[C@H](C)C(C)C ZINC000685957110 538903904 /nfs/dbraw/zinc/90/39/04/538903904.db2.gz MVWHWYVXQGGGCO-SECBINFHSA-N 1 1 209.280 2.292 10 0 BEAEMO C[NH2+]CC(F)(F)CO[C@@H](C)CC(C)C ZINC000685957407 538904112 /nfs/dbraw/zinc/90/41/12/538904112.db2.gz XTZZRDNLPGFEIS-VIFPVBQESA-N 1 1 209.280 2.292 10 0 BEAEMO CCCCCCOCC(F)(F)C[NH2+]C ZINC000685957478 538904419 /nfs/dbraw/zinc/90/44/19/538904419.db2.gz YWZNVMISCLQETH-UHFFFAOYSA-N 1 1 209.280 2.438 10 0 BEAEMO CC(C)C1([NH+]2CCC(C)CC2)CCNCC1 ZINC000685960854 538907445 /nfs/dbraw/zinc/90/74/45/538907445.db2.gz FRYVLQFTAHNFIR-UHFFFAOYSA-N 1 1 224.392 2.497 10 0 BEAEMO CCCCC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685961144 538908139 /nfs/dbraw/zinc/90/81/39/538908139.db2.gz CEGFIUUZEOVKAQ-CQSZACIVSA-N 1 1 248.370 2.205 10 0 BEAEMO CCCCC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685961144 538908141 /nfs/dbraw/zinc/90/81/41/538908141.db2.gz CEGFIUUZEOVKAQ-CQSZACIVSA-N 1 1 248.370 2.205 10 0 BEAEMO CC(C)[N@@H+]1CC[C@@H](N)[C@]12CCC[C@@H](C)C2 ZINC000685953117 538897606 /nfs/dbraw/zinc/89/76/06/538897606.db2.gz GEOJHZJSLOOTFB-JHJVBQTASA-N 1 1 210.365 2.377 10 0 BEAEMO CC(C)[N@H+]1CC[C@@H](N)[C@]12CCC[C@@H](C)C2 ZINC000685953117 538897608 /nfs/dbraw/zinc/89/76/08/538897608.db2.gz GEOJHZJSLOOTFB-JHJVBQTASA-N 1 1 210.365 2.377 10 0 BEAEMO C[N@H+]1CCOC[C@H](c2nccc3ccccc32)C1 ZINC000616595159 398142307 /nfs/dbraw/zinc/14/23/07/398142307.db2.gz RGRDUXPKABYTSG-CYBMUJFWSA-N 1 1 242.322 2.280 10 0 BEAEMO Cc1cc(CCCCC[NH+]2CCNCC2)c(C)[nH]1 ZINC000107294366 177961361 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/nfs/dbraw/zinc/19/39/56/398193956.db2.gz CEECHJKJSPUQGX-VIFPVBQESA-N 1 1 228.361 2.220 10 0 BEAEMO Cc1ccoc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000093437591 398194071 /nfs/dbraw/zinc/19/40/71/398194071.db2.gz KEWNWTKCJCKRSC-STQMWFEESA-N 1 1 234.343 2.257 10 0 BEAEMO Cc1cc(N(CCO)C2CCCCC2)nc(C)[nH+]1 ZINC000042525801 178101884 /nfs/dbraw/zinc/10/18/84/178101884.db2.gz VMEZATRYISPOHS-UHFFFAOYSA-N 1 1 249.358 2.225 10 0 BEAEMO CCC[C@H](C[NH2+][C@H](C)c1ncc(C)o1)OC ZINC000386014312 398195310 /nfs/dbraw/zinc/19/53/10/398195310.db2.gz NGVJGWDMUHWCIV-GHMZBOCLSA-N 1 1 226.320 2.449 10 0 BEAEMO C[N@@H+]1CCC[C@H]1CNC(C)(C)c1nccs1 ZINC000386247081 398200999 /nfs/dbraw/zinc/20/09/99/398200999.db2.gz QKQQNUBMVRHBLD-JTQLQIEISA-N 1 1 239.388 2.062 10 0 BEAEMO C[N@H+]1CCC[C@H]1CNC(C)(C)c1nccs1 ZINC000386247081 398201000 /nfs/dbraw/zinc/20/10/00/398201000.db2.gz QKQQNUBMVRHBLD-JTQLQIEISA-N 1 1 239.388 2.062 10 0 BEAEMO Cc1cc(N2C[C@@H]3CCC[C@H]32)nc(C)[nH+]1 ZINC000335792979 178121456 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/nfs/dbraw/zinc/79/92/88/361799288.db2.gz MWXHWIICUXNIQQ-UHFFFAOYSA-N 1 1 239.750 2.461 10 0 BEAEMO CCC(CC)[N@@H+](C)CC(=O)Nc1ccccc1N ZINC000036788480 168367563 /nfs/dbraw/zinc/36/75/63/168367563.db2.gz RGHUHXUTUONAMR-UHFFFAOYSA-N 1 1 249.358 2.328 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042681745 168373464 /nfs/dbraw/zinc/37/34/64/168373464.db2.gz WYHAQCOTBIFSJF-ZDUSSCGKSA-N 1 1 242.407 2.266 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@@H](CC)CC(N)=[NH2+] ZINC000042679990 168374141 /nfs/dbraw/zinc/37/41/41/168374141.db2.gz RRICVMAQMQYFQX-LBPRGKRZSA-N 1 1 243.395 2.228 10 0 BEAEMO CCC(CC)[N@@H+](CCO)C[C@@H]1CCCCC1=O ZINC000060720416 168374605 /nfs/dbraw/zinc/37/46/05/168374605.db2.gz CJSQCQKHKAAIPV-LBPRGKRZSA-N 1 1 241.375 2.229 10 0 BEAEMO CCC(CC)[N@@H+](CCOC)[C@H](CN)C(C)(C)C ZINC000042681773 168375872 /nfs/dbraw/zinc/37/58/72/168375872.db2.gz FMXAKVHLCMZMDC-CYBMUJFWSA-N 1 1 244.423 2.497 10 0 BEAEMO C[N@H+](Cc1ccco1)C[C@H]1CCC[C@H](O)C1 ZINC000381653111 398268609 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/nfs/dbraw/zinc/98/17/38/537981738.db2.gz HSCILINCTOPUEV-JQWIXIFHSA-N 1 1 224.735 2.053 10 0 BEAEMO CCC[N@@H+]1CC[C@@H](N)[C@H]1c1ccsc1 ZINC000250040126 362768606 /nfs/dbraw/zinc/76/86/06/362768606.db2.gz UJVFXUJJPZMMKH-GHMZBOCLSA-N 1 1 210.346 2.232 10 0 BEAEMO CCC[N@H+]1CC[C@@H](N)[C@H]1c1ccsc1 ZINC000250040126 362768610 /nfs/dbraw/zinc/76/86/10/362768610.db2.gz UJVFXUJJPZMMKH-GHMZBOCLSA-N 1 1 210.346 2.232 10 0 BEAEMO Cc1ccc([C@H]2CCNC[C@@H]2[NH3+])cc1Cl ZINC000669379867 537982830 /nfs/dbraw/zinc/98/28/30/537982830.db2.gz HSCILINCTOPUEV-PWSUYJOCSA-N 1 1 224.735 2.053 10 0 BEAEMO Cc1cccc(OCC[NH2+]Cc2csnn2)c1 ZINC000042895817 179167556 /nfs/dbraw/zinc/16/75/56/179167556.db2.gz BRIJLLZOWBDKGL-UHFFFAOYSA-N 1 1 249.339 2.015 10 0 BEAEMO Cc1cccc2c1OCCC[C@H]2NCCC[NH3+] ZINC000037713836 179221300 /nfs/dbraw/zinc/22/13/00/179221300.db2.gz BWBPPLQLMTXHFH-CYBMUJFWSA-N 1 1 234.343 2.147 10 0 BEAEMO Cc1ccccc1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911522 179269291 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CCN1CCC[C@H]1C[N@H+](C)CCCOC(C)C ZINC000175335921 397771515 /nfs/dbraw/zinc/77/15/15/397771515.db2.gz PRQDECNGGXXQLO-AWEZNQCLSA-N 1 1 242.407 2.218 10 0 BEAEMO CCN1CCC[C@H]1C[N@@H+](C)CCCOC(C)C ZINC000175335921 397771516 /nfs/dbraw/zinc/77/15/16/397771516.db2.gz PRQDECNGGXXQLO-AWEZNQCLSA-N 1 1 242.407 2.218 10 0 BEAEMO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccsc2C)C1 ZINC000382299132 397933267 /nfs/dbraw/zinc/93/32/67/397933267.db2.gz MXSJOYSVUFWAQK-GXFFZTMASA-N 1 1 238.400 2.486 10 0 BEAEMO CC[N@H+]1C[C@H](C)[C@H](NCc2ccsc2C)C1 ZINC000382299132 397933269 /nfs/dbraw/zinc/93/32/69/397933269.db2.gz MXSJOYSVUFWAQK-GXFFZTMASA-N 1 1 238.400 2.486 10 0 BEAEMO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccsc2C)C1 ZINC000382299133 397934765 /nfs/dbraw/zinc/93/47/65/397934765.db2.gz MXSJOYSVUFWAQK-MFKMUULPSA-N 1 1 238.400 2.486 10 0 BEAEMO CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccsc2C)C1 ZINC000382299133 397934766 /nfs/dbraw/zinc/93/47/66/397934766.db2.gz MXSJOYSVUFWAQK-MFKMUULPSA-N 1 1 238.400 2.486 10 0 BEAEMO C[NH+](C)[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000110535029 397902871 /nfs/dbraw/zinc/90/28/71/397902871.db2.gz YFQFWQSIDNGHON-GFCCVEGCSA-N 1 1 241.338 2.375 10 0 BEAEMO C[C@@H](C[N@H+]1CCCC[C@H]1CN)C(C)(C)C ZINC000389309841 398072789 /nfs/dbraw/zinc/07/27/89/398072789.db2.gz BIOPJRQWROLBEC-RYUDHWBXSA-N 1 1 212.381 2.482 10 0 BEAEMO CCCCN1OC(C[NH3+])=N[C@@H]1c1ccccc1 ZINC000584613942 398077903 /nfs/dbraw/zinc/07/79/03/398077903.db2.gz OKPSJLQFICJBLI-ZDUSSCGKSA-N 1 1 233.315 2.090 10 0 BEAEMO COc1ccc(CNCC[C@@H](C)[NH3+])cc1Cl ZINC000258721233 322876817 /nfs/dbraw/zinc/87/68/17/322876817.db2.gz IYWXUOZQEXDQRY-SECBINFHSA-N 1 1 242.750 2.176 10 0 BEAEMO CC(C)[NH2+]Cc1noc(-c2ccccc2)n1 ZINC000051860917 167123115 /nfs/dbraw/zinc/12/31/15/167123115.db2.gz HOTXGEYEZHIRDK-UHFFFAOYSA-N 1 1 217.272 2.235 10 0 BEAEMO CC1(C)CCC[N@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308910179 487579801 /nfs/dbraw/zinc/57/98/01/487579801.db2.gz MJLWZJSKMNXQLN-RYUDHWBXSA-N 1 1 211.349 2.412 10 0 BEAEMO c1coc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000214171191 487602480 /nfs/dbraw/zinc/60/24/80/487602480.db2.gz GHHUAUIKMRPVSC-CYBMUJFWSA-N 1 1 248.370 2.459 10 0 BEAEMO C[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000393721378 410755497 /nfs/dbraw/zinc/75/54/97/410755497.db2.gz IOZGKRRSVFPQFG-AAEUAGOBSA-N 1 1 211.349 2.412 10 0 BEAEMO CC(C)C[NH2+]Cc1ccoc1CN(C)C ZINC000052422678 167010007 /nfs/dbraw/zinc/01/00/07/167010007.db2.gz OOVKXKKCLQADCC-UHFFFAOYSA-N 1 1 210.321 2.087 10 0 BEAEMO CC(C)[NH2+]CCc1nc2ccc(F)cc2[nH]1 ZINC000037474937 167108307 /nfs/dbraw/zinc/10/83/07/167108307.db2.gz ZTQBYIBYGBERPJ-UHFFFAOYSA-N 1 1 221.279 2.243 10 0 BEAEMO CC(C)[NH2+]CC[C@@H](C)N(C)CCc1ccccn1 ZINC000052424006 167109867 /nfs/dbraw/zinc/10/98/67/167109867.db2.gz BUWDHQLHFDWOLG-CQSZACIVSA-N 1 1 249.402 2.333 10 0 BEAEMO CC(C)[NH2+]C[C@H](C)CN(C)CCc1ccncc1 ZINC000052483061 167113779 /nfs/dbraw/zinc/11/37/79/167113779.db2.gz TZULRIMLFLVEKA-AWEZNQCLSA-N 1 1 249.402 2.190 10 0 BEAEMO CC(C)OCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483558 167231482 /nfs/dbraw/zinc/23/14/82/167231482.db2.gz PYYOOXRWCUTWQE-CYBMUJFWSA-N 1 1 237.347 2.362 10 0 BEAEMO CC(C)OC[C@@H](O)C[N@H+]1CCCC12CCCC2 ZINC000310540123 167261817 /nfs/dbraw/zinc/26/18/17/167261817.db2.gz SJQBVXVWGDWKSH-ZDUSSCGKSA-N 1 1 241.375 2.181 10 0 BEAEMO CC(C)[C@@H](CN)[N@H+](C)Cc1ccccc1 ZINC000019264878 167396874 /nfs/dbraw/zinc/39/68/74/167396874.db2.gz CRYOSWKNZFTJKV-CYBMUJFWSA-N 1 1 206.333 2.102 10 0 BEAEMO CC(C)[C@@H](CN)[N@@H+](C)Cc1ccccc1 ZINC000019264878 167396877 /nfs/dbraw/zinc/39/68/77/167396877.db2.gz CRYOSWKNZFTJKV-CYBMUJFWSA-N 1 1 206.333 2.102 10 0 BEAEMO Cc1cc(N)cc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000398847860 410993607 /nfs/dbraw/zinc/99/36/07/410993607.db2.gz MBWGHQVFMLUQLE-UHFFFAOYSA-N 1 1 242.326 2.018 10 0 BEAEMO CC(C)CC[N@@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC000045751715 411148892 /nfs/dbraw/zinc/14/88/92/411148892.db2.gz DIXDXNJDGRKDGW-UHFFFAOYSA-N 1 1 240.391 2.412 10 0 BEAEMO 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C[N@H+]1Cc2ccc(N[C@@H]3CCCC[C@H]3O)cc2C1 ZINC000656508196 411288678 /nfs/dbraw/zinc/28/86/78/411288678.db2.gz ZBYBBCWQPWITSK-HUUCEWRRSA-N 1 1 246.354 2.347 10 0 BEAEMO Cc1nccc(N(C)CC(C)(C)[NH3+])c1Cl ZINC000656608738 411307674 /nfs/dbraw/zinc/30/76/74/411307674.db2.gz LLRIGSBMHKZDRK-UHFFFAOYSA-N 1 1 227.739 2.217 10 0 BEAEMO CC1=CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000075423272 168111494 /nfs/dbraw/zinc/11/14/94/168111494.db2.gz VYKULKSOIVGCJA-ZDUSSCGKSA-N 1 1 208.349 2.171 10 0 BEAEMO CC(C)[C@H](CN)[N@@H+](C)C1CCC(C)CC1 ZINC000042472872 168160384 /nfs/dbraw/zinc/16/03/84/168160384.db2.gz DZFGCBITIJPINC-BPCQOVAHSA-N 1 1 212.381 2.480 10 0 BEAEMO CC1CC[NH+](CC2(CN)CCCC2)CC1 ZINC000049814814 168179270 /nfs/dbraw/zinc/17/92/70/168179270.db2.gz LTSUPXJBKGZFRC-UHFFFAOYSA-N 1 1 210.365 2.237 10 0 BEAEMO CC1CCN([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000022163627 168185839 /nfs/dbraw/zinc/18/58/39/168185839.db2.gz YGHOXOZNJPRPAE-OAHLLOKOSA-N 1 1 232.371 2.288 10 0 BEAEMO CCC(=O)CCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000300121139 168198708 /nfs/dbraw/zinc/19/87/08/168198708.db2.gz TXBLQVFDHPRXOY-KGLIPLIRSA-N 1 1 239.359 2.389 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659929025 411384660 /nfs/dbraw/zinc/38/46/60/411384660.db2.gz PFQJLXJSNVCAPJ-UXXRCYHCSA-N 1 1 234.387 2.201 10 0 BEAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC1CC=CC1 ZINC000659929525 411384915 /nfs/dbraw/zinc/38/49/15/411384915.db2.gz SIFJRWAOQCATFV-TZMCWYRMSA-N 1 1 220.360 2.121 10 0 BEAEMO CC[N@H+]1CCCOC[C@H]1c1ccccc1N ZINC000616648243 411411662 /nfs/dbraw/zinc/41/16/62/411411662.db2.gz CCESZXWYZOZVBD-ZDUSSCGKSA-N 1 1 220.316 2.052 10 0 BEAEMO CC(C)[N@H+]1CCCO[C@H](c2ccc(N)cc2)C1 ZINC000616648829 411411977 /nfs/dbraw/zinc/41/19/77/411411977.db2.gz DNSDEKQPGKRVPB-AWEZNQCLSA-N 1 1 234.343 2.441 10 0 BEAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H]2C2CC2)C1 ZINC000659878952 411488248 /nfs/dbraw/zinc/48/82/48/411488248.db2.gz SOQGJALYPGXHKG-IACUBPJLSA-N 1 1 223.360 2.412 10 0 BEAEMO O[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]2C2CC2)C1 ZINC000659878955 411488660 /nfs/dbraw/zinc/48/86/60/411488660.db2.gz SOQGJALYPGXHKG-YUTCNCBUSA-N 1 1 223.360 2.412 10 0 BEAEMO CC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119019080 170006433 /nfs/dbraw/zinc/00/64/33/170006433.db2.gz ASAODNAKNBJYTH-ZDUSSCGKSA-N 1 1 221.300 2.088 10 0 BEAEMO CC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119019080 170006434 /nfs/dbraw/zinc/00/64/34/170006434.db2.gz ASAODNAKNBJYTH-ZDUSSCGKSA-N 1 1 221.300 2.088 10 0 BEAEMO CC[N@H+]1C[C@H](NCc2occc2C)[C@@H](C)C1 ZINC000336782160 170037044 /nfs/dbraw/zinc/03/70/44/170037044.db2.gz WURMNDQWIGHFNY-RYUDHWBXSA-N 1 1 222.332 2.018 10 0 BEAEMO CC[N@@H+]1C[C@H](NCc2occc2C)[C@@H](C)C1 ZINC000336782160 170037045 /nfs/dbraw/zinc/03/70/45/170037045.db2.gz WURMNDQWIGHFNY-RYUDHWBXSA-N 1 1 222.332 2.018 10 0 BEAEMO CCNC(C)(C)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000061299953 170107327 /nfs/dbraw/zinc/10/73/27/170107327.db2.gz XTHSRPBOXWTISB-RYUDHWBXSA-N 1 1 212.381 2.495 10 0 BEAEMO CCNC(C)(C)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000061299953 170107328 /nfs/dbraw/zinc/10/73/28/170107328.db2.gz XTHSRPBOXWTISB-RYUDHWBXSA-N 1 1 212.381 2.495 10 0 BEAEMO CC[NH2+]C1(c2nccs2)CCN(CC)CC1 ZINC000041060958 170108743 /nfs/dbraw/zinc/10/87/43/170108743.db2.gz RQTJXKULRPTJKC-UHFFFAOYSA-N 1 1 239.388 2.064 10 0 BEAEMO CC[NH2+]CC1(CN(CC)CCOC)CCCC1 ZINC000051254647 170110614 /nfs/dbraw/zinc/11/06/14/170110614.db2.gz SDHAQGQSXGQFTC-UHFFFAOYSA-N 1 1 242.407 2.125 10 0 BEAEMO CC[NH2+]Cc1c[nH]c(Cc2ccc(OC)cc2)n1 ZINC000062820989 170124339 /nfs/dbraw/zinc/12/43/39/170124339.db2.gz RCNWZRGBVSSHHS-UHFFFAOYSA-N 1 1 245.326 2.119 10 0 BEAEMO CCNCc1cc(C[N@H+](CC)[C@@H](C)CC)on1 ZINC000052451143 170125196 /nfs/dbraw/zinc/12/51/96/170125196.db2.gz VNDZUUIONXQBDA-NSHDSACASA-N 1 1 239.363 2.405 10 0 BEAEMO CCNCc1cc(C[N@@H+](CC)[C@@H](C)CC)on1 ZINC000052451143 170125197 /nfs/dbraw/zinc/12/51/97/170125197.db2.gz VNDZUUIONXQBDA-NSHDSACASA-N 1 1 239.363 2.405 10 0 BEAEMO CCN[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050270216 170145063 /nfs/dbraw/zinc/14/50/63/170145063.db2.gz WACXIBNWGSRJBF-JTQLQIEISA-N 1 1 248.248 2.195 10 0 BEAEMO CC[NH2+][C@H](C)c1csc(NC(=O)CC)n1 ZINC000076784997 170160378 /nfs/dbraw/zinc/16/03/78/170160378.db2.gz JDIIOOMNZGUDOF-SSDOTTSWSA-N 1 1 227.333 2.162 10 0 BEAEMO CC[NH2+][C@H](CN)c1c(OC)ccc2ccccc21 ZINC000050270313 170162094 /nfs/dbraw/zinc/16/20/94/170162094.db2.gz FOCINLRJKZHJQV-CYBMUJFWSA-N 1 1 244.338 2.458 10 0 BEAEMO CC[NH2+][C@H](c1ccsc1)c1nccn1C ZINC000041048672 170165353 /nfs/dbraw/zinc/16/53/53/170165353.db2.gz BNXIUJAKANRVCI-SNVBAGLBSA-N 1 1 221.329 2.181 10 0 BEAEMO CCN[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046010 170166633 /nfs/dbraw/zinc/16/66/33/170166633.db2.gz UBKANEHWEZUFIB-LBPRGKRZSA-N 1 1 210.365 2.393 10 0 BEAEMO CCN[C@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000045046010 170166635 /nfs/dbraw/zinc/16/66/35/170166635.db2.gz UBKANEHWEZUFIB-LBPRGKRZSA-N 1 1 210.365 2.393 10 0 BEAEMO CC[NH2+][C@H]1CCN(C2CCCCCC2)C1 ZINC000037242438 170166980 /nfs/dbraw/zinc/16/69/80/170166980.db2.gz ARTKKILDPRMGOC-LBPRGKRZSA-N 1 1 210.365 2.393 10 0 BEAEMO CCOC(=O)CC[N@H+]1C[C@H]2CCCCC[C@H]21 ZINC000363926420 170207004 /nfs/dbraw/zinc/20/70/04/170207004.db2.gz WEDOQKLVMQSSAW-VXGBXAGGSA-N 1 1 225.332 2.204 10 0 BEAEMO CCOC(=O)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000045687725 170210008 /nfs/dbraw/zinc/21/00/08/170210008.db2.gz TZSLOUQXRGWVCO-QMMMGPOBSA-N 1 1 242.344 2.055 10 0 BEAEMO CCOC(=O)C[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000304183849 170215039 /nfs/dbraw/zinc/21/50/39/170215039.db2.gz NOYVRFVZAGKGIW-SNVBAGLBSA-N 1 1 249.301 2.307 10 0 BEAEMO CCOC(=O)[C@H](C)[N@H+](CC)Cc1ccccc1 ZINC000043638527 170267011 /nfs/dbraw/zinc/26/70/11/170267011.db2.gz YAGPUHHLLKYYQJ-LBPRGKRZSA-N 1 1 235.327 2.460 10 0 BEAEMO CCOC(=O)[C@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000043638527 170267012 /nfs/dbraw/zinc/26/70/12/170267012.db2.gz YAGPUHHLLKYYQJ-LBPRGKRZSA-N 1 1 235.327 2.460 10 0 BEAEMO CCOC(=O)[C@H](CC)[NH2+]C1(C(C)C)CC1 ZINC000339516397 170271130 /nfs/dbraw/zinc/27/11/30/170271130.db2.gz ONTHTBDCGAXYQV-JTQLQIEISA-N 1 1 213.321 2.106 10 0 BEAEMO CCOC(=O)[C@H]([NH3+])CC1CCCCCC1 ZINC000044343772 170273888 /nfs/dbraw/zinc/27/38/88/170273888.db2.gz SNYFALYKMLMZBC-LLVKDONJSA-N 1 1 213.321 2.237 10 0 BEAEMO CCOC(=O)[C@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000117063277 170283839 /nfs/dbraw/zinc/28/38/39/170283839.db2.gz HKYTXRJHGDJCPV-GFCCVEGCSA-N 1 1 241.718 2.163 10 0 BEAEMO CCOCCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000357682793 170371209 /nfs/dbraw/zinc/37/12/09/170371209.db2.gz LXTCHMRHVLTZPU-NSHDSACASA-N 1 1 245.363 2.075 10 0 BEAEMO CCOCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000357682793 170371211 /nfs/dbraw/zinc/37/12/11/170371211.db2.gz LXTCHMRHVLTZPU-NSHDSACASA-N 1 1 245.363 2.075 10 0 BEAEMO CCOCC[N@@H+](CC)[C@@]1(CN)CCCC[C@@H]1C ZINC000104194294 170395572 /nfs/dbraw/zinc/39/55/72/170395572.db2.gz UKIZJXKOKXJQNO-UONOGXRCSA-N 1 1 242.407 2.252 10 0 BEAEMO CCOCCN(CC)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000104194294 170395574 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C[C@@H]1C[C@H]([NH3+])CCN1CCc1cccc(F)c1 ZINC000049711359 643220908 /nfs/dbraw/zinc/22/09/08/643220908.db2.gz XGKLTGZLTJZDDX-BXUZGUMPSA-N 1 1 236.334 2.180 10 0 BEAEMO CC[C@@H](C)c1noc([C@@H]([NH3+])CCSC)n1 ZINC000082561152 643343191 /nfs/dbraw/zinc/34/31/91/643343191.db2.gz LOMOFQYNWIJRRD-SFYZADRCSA-N 1 1 229.349 2.336 10 0 BEAEMO NC[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000050271161 643672276 /nfs/dbraw/zinc/67/22/76/643672276.db2.gz OBUAQINKWUMVIY-LLVKDONJSA-N 1 1 210.708 2.092 10 0 BEAEMO CO[C@@H]1CCC[C@@H]1Nc1cc(C)cc[nH+]1 ZINC000050374515 643690943 /nfs/dbraw/zinc/69/09/43/643690943.db2.gz PEJKTIRQJRIIJH-WDEREUQCSA-N 1 1 206.289 2.369 10 0 BEAEMO CCC[C@H]([NH3+])c1nc(-c2ccoc2C)no1 ZINC000074047163 644164227 /nfs/dbraw/zinc/16/42/27/644164227.db2.gz PILQOXRUAZVOQB-VIFPVBQESA-N 1 1 221.260 2.438 10 0 BEAEMO C[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)CCS1 ZINC000193873739 644284453 /nfs/dbraw/zinc/28/44/53/644284453.db2.gz VNWIBZRBLUIDNG-QWRGUYRKSA-N 1 1 213.346 2.116 10 0 BEAEMO C[Si](C)(C)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248001984 644660384 /nfs/dbraw/zinc/66/03/84/644660384.db2.gz KMCMGSOEMXTDHI-STQMWFEESA-N 1 1 241.451 2.491 10 0 BEAEMO CC1(C)C[C@@H]1c1noc([C@H]([NH3+])CC2CC2)n1 ZINC000304341444 644893552 /nfs/dbraw/zinc/89/35/52/644893552.db2.gz IXKWZAUPLYLTMG-RKDXNWHRSA-N 1 1 221.304 2.383 10 0 BEAEMO CSCC[C@H]([NH3+])c1nc(CC2CCC2)no1 ZINC000304566648 644917077 /nfs/dbraw/zinc/91/70/77/644917077.db2.gz HKWZOVJIIJVWGU-VIFPVBQESA-N 1 1 241.360 2.165 10 0 BEAEMO CC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708426708 712193847 /nfs/dbraw/zinc/19/38/47/712193847.db2.gz NMNUYFUQJLFPMF-STQMWFEESA-N 1 1 239.359 2.103 10 0 BEAEMO CC1(C)CCC[C@H](C[N@H+]2CC[C@H](CCO)C2)O1 ZINC000714387043 712487200 /nfs/dbraw/zinc/48/72/00/712487200.db2.gz VFFMGJIHTMVMMX-CHWSQXEVSA-N 1 1 241.375 2.038 10 0 BEAEMO COC(=O)[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1C ZINC000718587925 712775880 /nfs/dbraw/zinc/77/58/80/712775880.db2.gz SIDFRFNLAUXOAC-UWVGGRQHSA-N 1 1 249.301 2.163 10 0 BEAEMO C[C@H](CN1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932633 712880028 /nfs/dbraw/zinc/88/00/28/712880028.db2.gz WPTAARIXFWXDNM-AGIUHOORSA-N 1 1 224.392 2.495 10 0 BEAEMO