smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000159362554 206090244 /nfs/dbraw/zinc/09/02/44/206090244.db2.gz UWODGFILIHORQN-LBPRGKRZSA-N 1 1 239.334 3.245 20 70 BGIDMO CCOCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000159362692 388009164 /nfs/dbraw/zinc/00/91/64/388009164.db2.gz UWODGFILIHORQN-GFCCVEGCSA-N 1 1 239.334 3.245 20 70 BGIDMO c1cc([C@@H]2CCC[N@H+](CCC3CCCC3)C2)[nH]n1 ZINC000159430520 345433767 /nfs/dbraw/zinc/43/37/67/345433767.db2.gz FJAICAYXUZMYRP-CQSZACIVSA-N 1 1 247.386 3.169 20 70 BGIDMO c1cc([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)[nH]n1 ZINC000159430520 345433765 /nfs/dbraw/zinc/43/37/65/345433765.db2.gz FJAICAYXUZMYRP-CQSZACIVSA-N 1 1 247.386 3.169 20 70 BGIDMO c1cc([C@@H]2CCC[N@H+](CCC3CCCC3)C2)n[nH]1 ZINC000159430520 345433761 /nfs/dbraw/zinc/43/37/61/345433761.db2.gz FJAICAYXUZMYRP-CQSZACIVSA-N 1 1 247.386 3.169 20 70 BGIDMO c1cc([C@H]2CCC[N@H+](CCC3CCCC3)C2)[nH]n1 ZINC000159430615 345433577 /nfs/dbraw/zinc/43/35/77/345433577.db2.gz FJAICAYXUZMYRP-AWEZNQCLSA-N 1 1 247.386 3.169 20 70 BGIDMO c1cc([C@H]2CCC[N@@H+](CCC3CCCC3)C2)[nH]n1 ZINC000159430615 345433576 /nfs/dbraw/zinc/43/35/76/345433576.db2.gz FJAICAYXUZMYRP-AWEZNQCLSA-N 1 1 247.386 3.169 20 70 BGIDMO c1cc([C@H]2CCC[N@H+](CCC3CCCC3)C2)n[nH]1 ZINC000159430615 345433574 /nfs/dbraw/zinc/43/35/74/345433574.db2.gz FJAICAYXUZMYRP-AWEZNQCLSA-N 1 1 247.386 3.169 20 70 BGIDMO COCC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000159477548 346422303 /nfs/dbraw/zinc/42/23/03/346422303.db2.gz UQGFDPBHDACOAE-UHFFFAOYSA-N 1 1 248.153 3.072 20 70 BGIDMO COCC[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000159477548 346422301 /nfs/dbraw/zinc/42/23/01/346422301.db2.gz UQGFDPBHDACOAE-UHFFFAOYSA-N 1 1 248.153 3.072 20 70 BGIDMO CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159477802 384249924 /nfs/dbraw/zinc/24/99/24/384249924.db2.gz JPGKJQJSGGOEAH-XHSDSOJGSA-N 1 1 247.382 3.231 20 70 BGIDMO C(C[N@H+]1CCC[C@H]1C1CCCC1)OCC1CC1 ZINC000159505871 345439027 /nfs/dbraw/zinc/43/90/27/345439027.db2.gz SPCFMHMFGIFXRW-HNNXBMFYSA-N 1 1 237.387 3.068 20 70 BGIDMO C(C[N@H+]1CCC[C@@H]1C1CCCC1)OCC1CC1 ZINC000159506026 345439323 /nfs/dbraw/zinc/43/93/23/345439323.db2.gz SPCFMHMFGIFXRW-OAHLLOKOSA-N 1 1 237.387 3.068 20 70 BGIDMO CCOCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000159506483 345438857 /nfs/dbraw/zinc/43/88/57/345438857.db2.gz GESWEOCCMFVNBW-CQSZACIVSA-N 1 1 225.376 3.068 20 70 BGIDMO CCOCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000159506634 345439035 /nfs/dbraw/zinc/43/90/35/345439035.db2.gz GESWEOCCMFVNBW-AWEZNQCLSA-N 1 1 225.376 3.068 20 70 BGIDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000159513288 323019823 /nfs/dbraw/zinc/01/98/23/323019823.db2.gz OLIJZGHFJZIEOA-CQSZACIVSA-N 1 1 247.382 3.414 20 70 BGIDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000159513447 323019744 /nfs/dbraw/zinc/01/97/44/323019744.db2.gz OLIJZGHFJZIEOA-AWEZNQCLSA-N 1 1 247.382 3.414 20 70 BGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000159535037 345441424 /nfs/dbraw/zinc/44/14/24/345441424.db2.gz SQDHKFDMQIUDHM-STQMWFEESA-N 1 1 243.350 3.213 20 70 BGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC000159535162 345441328 /nfs/dbraw/zinc/44/13/28/345441328.db2.gz SQDHKFDMQIUDHM-OLZOCXBDSA-N 1 1 243.350 3.213 20 70 BGIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000159535980 323036050 /nfs/dbraw/zinc/03/60/50/323036050.db2.gz WXNFOKJRFFKYGQ-STQMWFEESA-N 1 1 249.398 3.358 20 70 BGIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000159536072 323035993 /nfs/dbraw/zinc/03/59/93/323035993.db2.gz WXNFOKJRFFKYGQ-OLZOCXBDSA-N 1 1 249.398 3.358 20 70 BGIDMO CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)O ZINC000159536264 346424562 /nfs/dbraw/zinc/42/45/62/346424562.db2.gz YFIDACSFRVKWIY-MFKMUULPSA-N 1 1 241.762 3.104 20 70 BGIDMO CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)O ZINC000159536368 384338136 /nfs/dbraw/zinc/33/81/36/384338136.db2.gz YFIDACSFRVKWIY-ZWNOBZJWSA-N 1 1 241.762 3.104 20 70 BGIDMO CCOC(C)(C)CNc1[nH+]ccc2ccccc21 ZINC000159544087 323036237 /nfs/dbraw/zinc/03/62/37/323036237.db2.gz BTOWTSVEOSICBG-UHFFFAOYSA-N 1 1 244.338 3.462 20 70 BGIDMO CCSCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000159560338 388021473 /nfs/dbraw/zinc/02/14/73/388021473.db2.gz ZMRIPOKTDSVTMX-UHFFFAOYSA-N 1 1 241.375 3.053 20 70 BGIDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000159592243 323040005 /nfs/dbraw/zinc/04/00/05/323040005.db2.gz ISXHEGADRKQYIL-UHFFFAOYSA-N 1 1 247.338 3.180 20 70 BGIDMO Cc1nc2ccccn2c1C[N@H+](C)CC(C)(C)C ZINC000159593644 345445167 /nfs/dbraw/zinc/44/51/67/345445167.db2.gz MFKDCNRDUCFYPL-UHFFFAOYSA-N 1 1 245.370 3.121 20 70 BGIDMO C[N@@H+](CCC1CCCC1)CCC(F)(F)F ZINC000159593906 323039907 /nfs/dbraw/zinc/03/99/07/323039907.db2.gz RQFBOVILHHNWAV-UHFFFAOYSA-N 1 1 223.282 3.451 20 70 BGIDMO COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159596432 345470594 /nfs/dbraw/zinc/47/05/94/345470594.db2.gz LPKYMYOFUXJJKI-HOCLYGCPSA-N 1 1 245.366 3.460 20 70 BGIDMO C[N@@H+](CCC1CCCC1)Cc1cscn1 ZINC000159642819 384344706 /nfs/dbraw/zinc/34/47/06/384344706.db2.gz ZRSOQDXSAPFZAV-UHFFFAOYSA-N 1 1 224.373 3.155 20 70 BGIDMO C[N@H+](CCC1CCCC1)Cc1cscn1 ZINC000159642819 384344703 /nfs/dbraw/zinc/34/47/03/384344703.db2.gz ZRSOQDXSAPFZAV-UHFFFAOYSA-N 1 1 224.373 3.155 20 70 BGIDMO COc1cccc(CCC[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000159650094 323075218 /nfs/dbraw/zinc/07/52/18/323075218.db2.gz MFWCPWZNMDFFAB-ZDUSSCGKSA-N 1 1 247.382 3.358 20 70 BGIDMO COc1cccc(CCC[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000159650227 323041892 /nfs/dbraw/zinc/04/18/92/323041892.db2.gz MFWCPWZNMDFFAB-CYBMUJFWSA-N 1 1 247.382 3.358 20 70 BGIDMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159658313 134783226 /nfs/dbraw/zinc/78/32/26/134783226.db2.gz GIYLHEXKLQMXQO-JSGCOSHPSA-N 1 1 234.343 3.056 20 70 BGIDMO Fc1ccc(C[NH+]2CCCC2)cc1C(F)(F)F ZINC000159663764 323043477 /nfs/dbraw/zinc/04/34/77/323043477.db2.gz ZFKYPSBDZYTVDQ-UHFFFAOYSA-N 1 1 247.235 3.440 20 70 BGIDMO COc1ccc(C[N@@H+](C)C2CCC2)cc1Cl ZINC000159684311 175094811 /nfs/dbraw/zinc/09/48/11/175094811.db2.gz KXPGSUTUVOWLCO-UHFFFAOYSA-N 1 1 239.746 3.333 20 70 BGIDMO Cc1ncc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000159710732 134787260 /nfs/dbraw/zinc/78/72/60/134787260.db2.gz WLTVWFWYGAVZSC-AAEUAGOBSA-N 1 1 236.384 3.216 20 70 BGIDMO Cc1nc2ccccn2c1C[N@H+]1CCCC1(C)C ZINC000159717446 345503528 /nfs/dbraw/zinc/50/35/28/345503528.db2.gz KERQZOPVGJLOQH-UHFFFAOYSA-N 1 1 243.354 3.017 20 70 BGIDMO Cc1nccn1CCCC[N@H+](C)C1CCCCC1 ZINC000159725904 388028339 /nfs/dbraw/zinc/02/83/39/388028339.db2.gz ZAFISPJMXOSTRW-UHFFFAOYSA-N 1 1 249.402 3.236 20 70 BGIDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)c(C)c1 ZINC000159728518 323045176 /nfs/dbraw/zinc/04/51/76/323045176.db2.gz DXDRFTHCSYZVDW-MRXNPFEDSA-N 1 1 247.382 3.040 20 70 BGIDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)c(C)c1 ZINC000159728635 323045145 /nfs/dbraw/zinc/04/51/45/323045145.db2.gz DXDRFTHCSYZVDW-INIZCTEOSA-N 1 1 247.382 3.040 20 70 BGIDMO CCCC[N@@H+](CCc1nccs1)C(C)C ZINC000159737516 323045843 /nfs/dbraw/zinc/04/58/43/323045843.db2.gz BNAGCFWTSMSJCU-UHFFFAOYSA-N 1 1 226.389 3.196 20 70 BGIDMO CC[C@@H](c1ccccc1)[N@@H+](C)CCOCC1CC1 ZINC000159756400 323047122 /nfs/dbraw/zinc/04/71/22/323047122.db2.gz ZWZHBOJXBVQUEH-INIZCTEOSA-N 1 1 247.382 3.496 20 70 BGIDMO CC[C@H](c1ccccc1)[N@@H+](C)CCOCC1CC1 ZINC000159756530 323047152 /nfs/dbraw/zinc/04/71/52/323047152.db2.gz ZWZHBOJXBVQUEH-MRXNPFEDSA-N 1 1 247.382 3.496 20 70 BGIDMO CCSCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000159758707 384355493 /nfs/dbraw/zinc/35/54/93/384355493.db2.gz SMTISPPSZMVXLY-JTQLQIEISA-N 1 1 213.346 3.026 20 70 BGIDMO CCSCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000159758823 384355562 /nfs/dbraw/zinc/35/55/62/384355562.db2.gz SMTISPPSZMVXLY-SNVBAGLBSA-N 1 1 213.346 3.026 20 70 BGIDMO C[N@@H+](CCCC1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159762788 323047351 /nfs/dbraw/zinc/04/73/51/323047351.db2.gz NXTCMKXNCRXSIK-GJZGRUSLSA-N 1 1 239.403 3.050 20 70 BGIDMO C[N@@H+](CCCC1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159762948 323047409 /nfs/dbraw/zinc/04/74/09/323047409.db2.gz NXTCMKXNCRXSIK-CABCVRRESA-N 1 1 239.403 3.050 20 70 BGIDMO CC[C@@H](C)C[N@@H+](CCc1nccs1)C(C)C ZINC000159766125 388029345 /nfs/dbraw/zinc/02/93/45/388029345.db2.gz LBYCPBOGMBIGOP-GFCCVEGCSA-N 1 1 240.416 3.442 20 70 BGIDMO CC[C@H](C)C[N@@H+](CCc1nccs1)C(C)C ZINC000159766237 201689313 /nfs/dbraw/zinc/68/93/13/201689313.db2.gz LBYCPBOGMBIGOP-LBPRGKRZSA-N 1 1 240.416 3.442 20 70 BGIDMO CC(C)[N@@H+](Cc1cncnc1)C1CCCCC1 ZINC000159767091 541400486 /nfs/dbraw/zinc/40/04/86/541400486.db2.gz BNLHMDGVIGEFBR-UHFFFAOYSA-N 1 1 233.359 3.020 20 70 BGIDMO Cc1nn(C)cc1C[N@H+](C(C)C)C1CCCCC1 ZINC000159767221 323047557 /nfs/dbraw/zinc/04/75/57/323047557.db2.gz CYFLHVBFYULDJO-UHFFFAOYSA-N 1 1 249.402 3.272 20 70 BGIDMO CCn1cc(C[N@@H+](C(C)C)C2CCCCC2)cn1 ZINC000159767976 323047367 /nfs/dbraw/zinc/04/73/67/323047367.db2.gz XNNBJTVRTNTAQX-UHFFFAOYSA-N 1 1 249.402 3.446 20 70 BGIDMO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159769464 346263131 /nfs/dbraw/zinc/26/31/31/346263131.db2.gz JUHBWLUVYRPURH-BPUTZDHNSA-N 1 1 247.382 3.149 20 70 BGIDMO CCn1nccc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000159769589 346263043 /nfs/dbraw/zinc/26/30/43/346263043.db2.gz JFJJXWRDYSQGPC-UHFFFAOYSA-N 1 1 249.402 3.446 20 70 BGIDMO Cc1[nH]ncc1C[N@H+](C(C)C)C1CCCCC1 ZINC000159773139 323047463 /nfs/dbraw/zinc/04/74/63/323047463.db2.gz YYUIFLXTMIDKEL-UHFFFAOYSA-N 1 1 235.375 3.261 20 70 BGIDMO Cc1[nH]ncc1C[N@@H+](C(C)C)C1CCCCC1 ZINC000159773139 323047462 /nfs/dbraw/zinc/04/74/62/323047462.db2.gz YYUIFLXTMIDKEL-UHFFFAOYSA-N 1 1 235.375 3.261 20 70 BGIDMO Cc1n[nH]cc1C[N@H+](C(C)C)C1CCCCC1 ZINC000159773139 323047461 /nfs/dbraw/zinc/04/74/61/323047461.db2.gz YYUIFLXTMIDKEL-UHFFFAOYSA-N 1 1 235.375 3.261 20 70 BGIDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cnc2ccccn12 ZINC000159774347 345520857 /nfs/dbraw/zinc/52/08/57/345520857.db2.gz IYXAPKSNFVGFCR-BETUJISGSA-N 1 1 243.354 3.097 20 70 BGIDMO CCC[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000159778593 345527986 /nfs/dbraw/zinc/52/79/86/345527986.db2.gz OIHXLCYPICJIBN-UHFFFAOYSA-N 1 1 248.301 3.323 20 70 BGIDMO CC(C)=CC[N@H+](CCc1nccs1)C(C)C ZINC000159789437 538879188 /nfs/dbraw/zinc/87/91/88/538879188.db2.gz UMIBQSXKTIZVBY-UHFFFAOYSA-N 1 1 238.400 3.362 20 70 BGIDMO CCCC[N@@H+](CC)Cc1cc(O)cc(F)c1 ZINC000159805779 345549674 /nfs/dbraw/zinc/54/96/74/345549674.db2.gz TURHQZAJCYKAFY-UHFFFAOYSA-N 1 1 225.307 3.153 20 70 BGIDMO CC(C)CC[N@@H+](CCc1nccs1)C(C)C ZINC000159814066 323049124 /nfs/dbraw/zinc/04/91/24/323049124.db2.gz QRFSAUMVEAQHHS-UHFFFAOYSA-N 1 1 240.416 3.442 20 70 BGIDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159818323 345551479 /nfs/dbraw/zinc/55/14/79/345551479.db2.gz XNEMRHXNNQSHAF-SNVBAGLBSA-N 1 1 225.307 3.009 20 70 BGIDMO CC[C@H](C)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159818452 345551213 /nfs/dbraw/zinc/55/12/13/345551213.db2.gz XNEMRHXNNQSHAF-JTQLQIEISA-N 1 1 225.307 3.009 20 70 BGIDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820103 345552382 /nfs/dbraw/zinc/55/23/82/345552382.db2.gz JEEKOJCWQVEOQS-SNVBAGLBSA-N 1 1 225.307 3.008 20 70 BGIDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820238 345552286 /nfs/dbraw/zinc/55/22/86/345552286.db2.gz JEEKOJCWQVEOQS-JTQLQIEISA-N 1 1 225.307 3.008 20 70 BGIDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820516 345551883 /nfs/dbraw/zinc/55/18/83/345551883.db2.gz SDKBWWCSSKAHCL-SNVBAGLBSA-N 1 1 225.307 3.152 20 70 BGIDMO CCC[C@H](C)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159820641 345552157 /nfs/dbraw/zinc/55/21/57/345552157.db2.gz SDKBWWCSSKAHCL-JTQLQIEISA-N 1 1 225.307 3.152 20 70 BGIDMO CCOCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000159830122 345557602 /nfs/dbraw/zinc/55/76/02/345557602.db2.gz HQHYZOHHOYVNML-CYBMUJFWSA-N 1 1 227.392 3.314 20 70 BGIDMO CCOCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000159830271 345557524 /nfs/dbraw/zinc/55/75/24/345557524.db2.gz HQHYZOHHOYVNML-ZDUSSCGKSA-N 1 1 227.392 3.314 20 70 BGIDMO C[N@@H+](Cc1cc(O)cc(F)c1)CC(C)(C)C ZINC000159831025 345557753 /nfs/dbraw/zinc/55/77/53/345557753.db2.gz NVGPUHONIZLYDI-UHFFFAOYSA-N 1 1 225.307 3.009 20 70 BGIDMO CCC(C)(C)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000159843501 345562098 /nfs/dbraw/zinc/56/20/98/345562098.db2.gz UOKIZWLZSYTGQO-UHFFFAOYSA-N 1 1 225.307 3.152 20 70 BGIDMO CC(C)=CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159859919 134792617 /nfs/dbraw/zinc/79/26/17/134792617.db2.gz MDYBIBIAMMVUKF-HNNXBMFYSA-N 1 1 230.355 3.493 20 70 BGIDMO CC(C)=CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159860044 345572225 /nfs/dbraw/zinc/57/22/25/345572225.db2.gz MDYBIBIAMMVUKF-OAHLLOKOSA-N 1 1 230.355 3.493 20 70 BGIDMO COc1ccc(C[N@@H+](C)Cc2occc2C)cc1 ZINC000159865889 188334699 /nfs/dbraw/zinc/33/46/99/188334699.db2.gz XNTCMIOSLPOWDE-UHFFFAOYSA-N 1 1 245.322 3.229 20 70 BGIDMO CCCCN(C)c1cc[nH+]cc1Br ZINC000159950198 361296222 /nfs/dbraw/zinc/29/62/22/361296222.db2.gz VEUCZXMEDILOKB-UHFFFAOYSA-N 1 1 243.148 3.080 20 70 BGIDMO CCCN(CC)c1cc[nH+]cc1Br ZINC000159951883 388038777 /nfs/dbraw/zinc/03/87/77/388038777.db2.gz VDWSHEXKSCVHOQ-UHFFFAOYSA-N 1 1 243.148 3.080 20 70 BGIDMO CCSCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159971541 345482245 /nfs/dbraw/zinc/48/22/45/345482245.db2.gz FWRLFYBWLOCURG-RYUDHWBXSA-N 1 1 213.390 3.004 20 70 BGIDMO CC[N@@H+](CCCc1cccc(OC)c1)C(C)C ZINC000159980217 386029630 /nfs/dbraw/zinc/02/96/30/386029630.db2.gz VQMQFLVUAZARES-UHFFFAOYSA-N 1 1 235.371 3.358 20 70 BGIDMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000160001108 361297165 /nfs/dbraw/zinc/29/71/65/361297165.db2.gz DRVDMIXIRSQHMW-KBPBESRZSA-N 1 1 245.366 3.298 20 70 BGIDMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000160001248 361297647 /nfs/dbraw/zinc/29/76/47/361297647.db2.gz DRVDMIXIRSQHMW-KGLIPLIRSA-N 1 1 245.366 3.298 20 70 BGIDMO Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)nc1 ZINC000160084227 397767564 /nfs/dbraw/zinc/76/75/64/397767564.db2.gz KDYQRVPREMVMAQ-UHFFFAOYSA-N 1 1 230.355 3.297 20 70 BGIDMO CCOCCC[N@@H+](C(C)C)C1CCCCC1 ZINC000160120995 323060952 /nfs/dbraw/zinc/06/09/52/323060952.db2.gz UEJVGRWNRHLIBQ-UHFFFAOYSA-N 1 1 227.392 3.456 20 70 BGIDMO Cc1ccc(C(=O)CC[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000160147773 384643147 /nfs/dbraw/zinc/64/31/47/384643147.db2.gz ZPWRJJCUVRSSLL-OKILXGFUSA-N 1 1 245.366 3.441 20 70 BGIDMO c1cnn([C@@H]2CCC[N@H+](CCC3CCCC3)C2)c1 ZINC000160251897 384672794 /nfs/dbraw/zinc/67/27/94/384672794.db2.gz STNOBKBSOKFJRT-OAHLLOKOSA-N 1 1 247.386 3.100 20 70 BGIDMO c1cnn([C@H]2CCC[N@H+](CCC3CCCC3)C2)c1 ZINC000160252027 384673314 /nfs/dbraw/zinc/67/33/14/384673314.db2.gz STNOBKBSOKFJRT-HNNXBMFYSA-N 1 1 247.386 3.100 20 70 BGIDMO CC(C)[N@@H+](CCOCC1CC1)C1CCCC1 ZINC000160322681 386359075 /nfs/dbraw/zinc/35/90/75/386359075.db2.gz STGJFUUULTYYOO-UHFFFAOYSA-N 1 1 225.376 3.066 20 70 BGIDMO CCSCC[N@@H+](C(C)C)C1CCCC1 ZINC000160322847 388058414 /nfs/dbraw/zinc/05/84/14/388058414.db2.gz SGBPZHNEUQCNJZ-UHFFFAOYSA-N 1 1 215.406 3.393 20 70 BGIDMO CCOCCC[N@@H+](C(C)C)C1CCCC1 ZINC000160323782 201710793 /nfs/dbraw/zinc/71/07/93/201710793.db2.gz BUGLSAKAUZWTGG-UHFFFAOYSA-N 1 1 213.365 3.066 20 70 BGIDMO CC[C@@H](C)[N@@H+](C)CCCc1cccc(OC)c1 ZINC000160340655 323065067 /nfs/dbraw/zinc/06/50/67/323065067.db2.gz UKBPLJBFJBOHOB-CYBMUJFWSA-N 1 1 235.371 3.358 20 70 BGIDMO CC[C@H](C)[N@@H+](C)CCCc1cccc(OC)c1 ZINC000160340779 323064994 /nfs/dbraw/zinc/06/49/94/323064994.db2.gz UKBPLJBFJBOHOB-ZDUSSCGKSA-N 1 1 235.371 3.358 20 70 BGIDMO C[C@@H](C[N@@H+](C)CCOCC1CC1)c1ccccc1 ZINC000160383338 388061866 /nfs/dbraw/zinc/06/18/66/388061866.db2.gz FFPDPDMPGXZCKP-AWEZNQCLSA-N 1 1 247.382 3.149 20 70 BGIDMO C[C@H](C[N@@H+](C)CCOCC1CC1)c1ccccc1 ZINC000160383481 388060650 /nfs/dbraw/zinc/06/06/50/388060650.db2.gz FFPDPDMPGXZCKP-CQSZACIVSA-N 1 1 247.382 3.149 20 70 BGIDMO CCSCC[N@@H+](C)Cc1ccc(C)s1 ZINC000160433952 388067888 /nfs/dbraw/zinc/06/78/88/388067888.db2.gz KOGFBICKALDBBC-UHFFFAOYSA-N 1 1 229.414 3.241 20 70 BGIDMO CC[N@@H+](Cc1cnc2ccccn12)[C@@H](C)C(C)C ZINC000160434942 487857559 /nfs/dbraw/zinc/85/75/59/487857559.db2.gz JINRGFZRHNPAHL-ZDUSSCGKSA-N 1 1 245.370 3.201 20 70 BGIDMO CC[N@@H+](Cc1cnc2ccccn12)[C@H](C)C(C)C ZINC000160435043 487857707 /nfs/dbraw/zinc/85/77/07/487857707.db2.gz JINRGFZRHNPAHL-CYBMUJFWSA-N 1 1 245.370 3.201 20 70 BGIDMO CCSCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000160455046 388067679 /nfs/dbraw/zinc/06/76/79/388067679.db2.gz KPNJZRKQDJYCCC-GFCCVEGCSA-N 1 1 213.390 3.004 20 70 BGIDMO CCSCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000160455171 388067659 /nfs/dbraw/zinc/06/76/59/388067659.db2.gz KPNJZRKQDJYCCC-LBPRGKRZSA-N 1 1 213.390 3.004 20 70 BGIDMO Cc1ccoc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160467148 323067838 /nfs/dbraw/zinc/06/78/38/323067838.db2.gz JGVDRUCGJHLGSX-UHFFFAOYSA-N 1 1 233.286 3.359 20 70 BGIDMO Cc1ncccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000160470427 323068089 /nfs/dbraw/zinc/06/80/89/323068089.db2.gz BKFBZGHFYSNIJX-UHFFFAOYSA-N 1 1 244.313 3.161 20 70 BGIDMO CCC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1 ZINC000160476879 323068459 /nfs/dbraw/zinc/06/84/59/323068459.db2.gz ZBPNTFSBRRFWEJ-UHFFFAOYSA-N 1 1 242.366 3.437 20 70 BGIDMO CCC[N@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000160480208 169134455 /nfs/dbraw/zinc/13/44/55/169134455.db2.gz DLPNECUQBVHLRK-UHFFFAOYSA-N 1 1 245.366 3.245 20 70 BGIDMO CCC[N@@H+](Cc1c[nH]nc1C)Cc1ccccc1 ZINC000160482186 169178059 /nfs/dbraw/zinc/17/80/59/169178059.db2.gz ABUYDIINAJUXGT-UHFFFAOYSA-N 1 1 243.354 3.130 20 70 BGIDMO CC(C)[NH2+]C1CCN(CCC2CCCC2)CC1 ZINC000160497630 167095850 /nfs/dbraw/zinc/09/58/50/167095850.db2.gz SQSKTDHDKKNBHY-UHFFFAOYSA-N 1 1 238.419 3.029 20 70 BGIDMO CCc1nnc([C@@H](C)[N@H+](CC)C[C@@H](C)CC)o1 ZINC000160515543 323069893 /nfs/dbraw/zinc/06/98/93/323069893.db2.gz AQXHFTSMHSRHGL-WDEREUQCSA-N 1 1 239.363 3.061 20 70 BGIDMO CCc1nnc([C@H](C)[N@H+](CC)C[C@@H](C)CC)o1 ZINC000160515682 323069880 /nfs/dbraw/zinc/06/98/80/323069880.db2.gz AQXHFTSMHSRHGL-QWRGUYRKSA-N 1 1 239.363 3.061 20 70 BGIDMO Cc1ccccc1C[N@@H+](C)Cc1cncs1 ZINC000160518029 323069873 /nfs/dbraw/zinc/06/98/73/323069873.db2.gz IHDFJPGPUFQHGX-UHFFFAOYSA-N 1 1 232.352 3.084 20 70 BGIDMO Cc1ccccc1C[N@H+](C)Cc1cncs1 ZINC000160518029 323069872 /nfs/dbraw/zinc/06/98/72/323069872.db2.gz IHDFJPGPUFQHGX-UHFFFAOYSA-N 1 1 232.352 3.084 20 70 BGIDMO CCc1noc([C@@H](C)[N@H+](CC)C[C@@H](C)CC)n1 ZINC000160523581 323069981 /nfs/dbraw/zinc/06/99/81/323069981.db2.gz SIBSOQFPPIZSHJ-WDEREUQCSA-N 1 1 239.363 3.061 20 70 BGIDMO CCc1noc([C@H](C)[N@H+](CC)C[C@@H](C)CC)n1 ZINC000160523698 323070041 /nfs/dbraw/zinc/07/00/41/323070041.db2.gz SIBSOQFPPIZSHJ-QWRGUYRKSA-N 1 1 239.363 3.061 20 70 BGIDMO Cc1ccccc1C[N@H+](C)Cc1cccnc1C ZINC000160527783 323069999 /nfs/dbraw/zinc/06/99/99/323069999.db2.gz BOYMYZFQOPWQKY-UHFFFAOYSA-N 1 1 240.350 3.330 20 70 BGIDMO C[C@@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000160548146 538111573 /nfs/dbraw/zinc/11/15/73/538111573.db2.gz ZTEMJXGLHCRNQK-VIFPVBQESA-N 1 1 215.300 3.021 20 70 BGIDMO C[C@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000160548279 538885037 /nfs/dbraw/zinc/88/50/37/538885037.db2.gz ZTEMJXGLHCRNQK-SECBINFHSA-N 1 1 215.300 3.021 20 70 BGIDMO CSCCCCNc1[nH]c2ccccc2[nH+]1 ZINC000160551550 387104000 /nfs/dbraw/zinc/10/40/00/387104000.db2.gz LOQSKECDFWYWPD-UHFFFAOYSA-N 1 1 235.356 3.118 20 70 BGIDMO c1ccc2[nH+]c(NCCCC3CC3)[nH]c2c1 ZINC000160551685 323071122 /nfs/dbraw/zinc/07/11/22/323071122.db2.gz CIYGLXSVGASKLW-UHFFFAOYSA-N 1 1 215.300 3.165 20 70 BGIDMO CSC(C)(C)CNc1[nH]c2ccccc2[nH+]1 ZINC000160555121 384420334 /nfs/dbraw/zinc/42/03/34/384420334.db2.gz XMRLCTFZPUVLJN-UHFFFAOYSA-N 1 1 235.356 3.116 20 70 BGIDMO c1ccc2[nH+]c(NCCC3CCC3)[nH]c2c1 ZINC000160555527 387104263 /nfs/dbraw/zinc/10/42/63/387104263.db2.gz GJHWFCZCDQFLLO-UHFFFAOYSA-N 1 1 215.300 3.165 20 70 BGIDMO COc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160555884 345495661 /nfs/dbraw/zinc/49/56/61/345495661.db2.gz HSLHFQKDVHXAMW-HOCLYGCPSA-N 1 1 245.366 3.460 20 70 BGIDMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000160557225 387104850 /nfs/dbraw/zinc/10/48/50/387104850.db2.gz DNUSCMMHJSAPGD-VIFPVBQESA-N 1 1 215.300 3.163 20 70 BGIDMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000160557350 387105618 /nfs/dbraw/zinc/10/56/18/387105618.db2.gz DNUSCMMHJSAPGD-SECBINFHSA-N 1 1 215.300 3.163 20 70 BGIDMO CCCCOCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160559186 345495420 /nfs/dbraw/zinc/49/54/20/345495420.db2.gz QKNMVOCLVUWYEI-KBPBESRZSA-N 1 1 225.376 3.068 20 70 BGIDMO CC(C)[N@@H+](Cc1cnc2ccccn12)C1CCC1 ZINC000160566783 349225050 /nfs/dbraw/zinc/22/50/50/349225050.db2.gz VGHJSWQOSYQMRQ-UHFFFAOYSA-N 1 1 243.354 3.097 20 70 BGIDMO CC(C)OCCNc1[nH+]ccc2ccccc21 ZINC000160603759 357120739 /nfs/dbraw/zinc/12/07/39/357120739.db2.gz BHOLGVCUYFMWRE-UHFFFAOYSA-N 1 1 230.311 3.072 20 70 BGIDMO COC(C)(C)CNc1[nH+]ccc2ccccc21 ZINC000160620259 323073783 /nfs/dbraw/zinc/07/37/83/323073783.db2.gz VDXCYRIVAUDGPZ-UHFFFAOYSA-N 1 1 230.311 3.072 20 70 BGIDMO Cc1ccc(C[N@H+](C)Cc2cccnc2C)cc1 ZINC000160640479 323074164 /nfs/dbraw/zinc/07/41/64/323074164.db2.gz QVIDCVQHMZSEJQ-UHFFFAOYSA-N 1 1 240.350 3.330 20 70 BGIDMO CCn1ccnc1C[N@@H+](CC)C1CCCCC1 ZINC000160762286 346464517 /nfs/dbraw/zinc/46/45/17/346464517.db2.gz ODYUDJAOYYVUJQ-UHFFFAOYSA-N 1 1 235.375 3.058 20 70 BGIDMO CCCC[N@@H+](CC)Cc1nccn1C(C)C ZINC000160762590 388087820 /nfs/dbraw/zinc/08/78/20/388087820.db2.gz KDRWCRPTNCOPMM-UHFFFAOYSA-N 1 1 223.364 3.086 20 70 BGIDMO CC[C@@H]1CC[N@@H+](CCCC(=O)c2ccccc2)C1 ZINC000160779928 349318778 /nfs/dbraw/zinc/31/87/78/349318778.db2.gz HAFQFZMEGIOTQM-CQSZACIVSA-N 1 1 245.366 3.381 20 70 BGIDMO CC[C@H]1CC[N@@H+](CCCC(=O)c2ccccc2)C1 ZINC000160780048 349318999 /nfs/dbraw/zinc/31/89/99/349318999.db2.gz HAFQFZMEGIOTQM-AWEZNQCLSA-N 1 1 245.366 3.381 20 70 BGIDMO Cn1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000160808473 323075665 /nfs/dbraw/zinc/07/56/65/323075665.db2.gz BHMGVEJOYYZFGQ-UHFFFAOYSA-N 1 1 248.757 3.311 20 70 BGIDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000160814516 384438373 /nfs/dbraw/zinc/43/83/73/384438373.db2.gz FVXIPRKADIGBRP-UHFFFAOYSA-N 1 1 249.745 3.004 20 70 BGIDMO Cn1ccc(C[N@@H+](C)Cc2ccccc2Cl)c1 ZINC000160818670 323136376 /nfs/dbraw/zinc/13/63/76/323136376.db2.gz BIJVWSLEDQZXTF-UHFFFAOYSA-N 1 1 248.757 3.311 20 70 BGIDMO Cn1ccc(C[N@H+](C)Cc2ccccc2Cl)c1 ZINC000160818670 323136375 /nfs/dbraw/zinc/13/63/75/323136375.db2.gz BIJVWSLEDQZXTF-UHFFFAOYSA-N 1 1 248.757 3.311 20 70 BGIDMO Cc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)o1 ZINC000160845840 323136630 /nfs/dbraw/zinc/13/66/30/323136630.db2.gz ZXDZWUUMUXLIHB-ZDUSSCGKSA-N 1 1 219.328 3.376 20 70 BGIDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)o1 ZINC000160845984 323136735 /nfs/dbraw/zinc/13/67/35/323136735.db2.gz ZXDZWUUMUXLIHB-CYBMUJFWSA-N 1 1 219.328 3.376 20 70 BGIDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000160857309 323137024 /nfs/dbraw/zinc/13/70/24/323137024.db2.gz ITQOJWBWWIYBDB-UHFFFAOYSA-N 1 1 233.311 3.375 20 70 BGIDMO CCc1ccc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000160857309 323137023 /nfs/dbraw/zinc/13/70/23/323137023.db2.gz ITQOJWBWWIYBDB-UHFFFAOYSA-N 1 1 233.311 3.375 20 70 BGIDMO CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000160867036 350867212 /nfs/dbraw/zinc/86/72/12/350867212.db2.gz DHSDAZDABTUHMP-CYBMUJFWSA-N 1 1 235.375 3.086 20 70 BGIDMO CC(C)n1ccnc1C[N@H+]1CCC[C@H](C)CC1 ZINC000160867157 350867444 /nfs/dbraw/zinc/86/74/44/350867444.db2.gz DHSDAZDABTUHMP-ZDUSSCGKSA-N 1 1 235.375 3.086 20 70 BGIDMO Cc1ccc(C[N@H+](C)Cc2occc2C)o1 ZINC000160867782 384442026 /nfs/dbraw/zinc/44/20/26/384442026.db2.gz DHOVCUXKIXSXOF-UHFFFAOYSA-N 1 1 219.284 3.121 20 70 BGIDMO Cc1ccc(C[N@@H+](C)Cc2occc2C)o1 ZINC000160867782 384442018 /nfs/dbraw/zinc/44/20/18/384442018.db2.gz DHOVCUXKIXSXOF-UHFFFAOYSA-N 1 1 219.284 3.121 20 70 BGIDMO Cc1ccc(C[N@H+](C)Cc2ccsc2)o1 ZINC000160874571 384443386 /nfs/dbraw/zinc/44/33/86/384443386.db2.gz LIWCOAMWPJIJTG-UHFFFAOYSA-N 1 1 221.325 3.282 20 70 BGIDMO Cc1ccc(C[N@@H+](C)Cc2ccsc2)o1 ZINC000160874571 384443380 /nfs/dbraw/zinc/44/33/80/384443380.db2.gz LIWCOAMWPJIJTG-UHFFFAOYSA-N 1 1 221.325 3.282 20 70 BGIDMO CC(C)n1ccnc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160890023 349340430 /nfs/dbraw/zinc/34/04/30/349340430.db2.gz XZPNPJMDGWOOIB-KBPBESRZSA-N 1 1 247.386 3.229 20 70 BGIDMO Cc1ccc(C(=O)CC[N@@H+](C)CCC2CC2)cc1 ZINC000160928503 388102897 /nfs/dbraw/zinc/10/28/97/388102897.db2.gz HFTHLBJYXADPJI-UHFFFAOYSA-N 1 1 245.366 3.300 20 70 BGIDMO CC[C@@H](C)C[N@@H+](CC)Cc1cnc2ccccn12 ZINC000160953244 349343084 /nfs/dbraw/zinc/34/30/84/349343084.db2.gz WXFGDKBRYWOZOL-CYBMUJFWSA-N 1 1 245.370 3.202 20 70 BGIDMO CC[C@H](C)C[N@@H+](CC)Cc1cnc2ccccn12 ZINC000160953378 349342967 /nfs/dbraw/zinc/34/29/67/349342967.db2.gz WXFGDKBRYWOZOL-ZDUSSCGKSA-N 1 1 245.370 3.202 20 70 BGIDMO COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2C)c1C ZINC000160964567 388106459 /nfs/dbraw/zinc/10/64/59/388106459.db2.gz WPXSHJZNCJSYCR-LBPRGKRZSA-N 1 1 248.370 3.081 20 70 BGIDMO COc1c(C)cnc(C[N@H+]2CCCC[C@H]2C)c1C ZINC000160964680 388106990 /nfs/dbraw/zinc/10/69/90/388106990.db2.gz WPXSHJZNCJSYCR-GFCCVEGCSA-N 1 1 248.370 3.081 20 70 BGIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000161031933 384458565 /nfs/dbraw/zinc/45/85/65/384458565.db2.gz JLOMSGGBYSSRLP-IMJJTQAJSA-N 1 1 246.398 3.210 20 70 BGIDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000161032067 384457672 /nfs/dbraw/zinc/45/76/72/384457672.db2.gz JLOMSGGBYSSRLP-BMFZPTHFSA-N 1 1 246.398 3.210 20 70 BGIDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000161032181 384457001 /nfs/dbraw/zinc/45/70/01/384457001.db2.gz JLOMSGGBYSSRLP-BPUTZDHNSA-N 1 1 246.398 3.210 20 70 BGIDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000161032314 384458059 /nfs/dbraw/zinc/45/80/59/384458059.db2.gz JLOMSGGBYSSRLP-KBMXLJTQSA-N 1 1 246.398 3.210 20 70 BGIDMO Cn1c2ccccc2[nH+]c1NCCC(C)(C)C ZINC000161082056 398340062 /nfs/dbraw/zinc/34/00/62/398340062.db2.gz HKUYFJUGBCOLMW-UHFFFAOYSA-N 1 1 231.343 3.421 20 70 BGIDMO C[C@@H](CNc1[nH+]c2ccccc2n1C)C1CC1 ZINC000161082460 538913780 /nfs/dbraw/zinc/91/37/80/538913780.db2.gz YAYKMIZTANVMBV-JTQLQIEISA-N 1 1 229.327 3.031 20 70 BGIDMO C[C@H](CNc1[nH+]c2ccccc2n1C)C1CC1 ZINC000161082588 541356806 /nfs/dbraw/zinc/35/68/06/541356806.db2.gz YAYKMIZTANVMBV-SNVBAGLBSA-N 1 1 229.327 3.031 20 70 BGIDMO c1ccc2[nH+]c(NCC3CCSCC3)[nH]c2c1 ZINC000161085015 385737420 /nfs/dbraw/zinc/73/74/20/385737420.db2.gz XJMDWXSTCHUKIP-UHFFFAOYSA-N 1 1 247.367 3.118 20 70 BGIDMO CSCCCCNc1[nH+]c2ccccc2n1C ZINC000161085432 385149824 /nfs/dbraw/zinc/14/98/24/385149824.db2.gz QSAWKMPJBIEBPW-UHFFFAOYSA-N 1 1 249.383 3.128 20 70 BGIDMO Cn1c2ccccc2[nH+]c1NCCCC1CC1 ZINC000161085561 323146137 /nfs/dbraw/zinc/14/61/37/323146137.db2.gz FWNQRUOCTLBDCG-UHFFFAOYSA-N 1 1 229.327 3.175 20 70 BGIDMO CSC(C)(C)CNc1[nH+]c2ccccc2n1C ZINC000161088839 384459813 /nfs/dbraw/zinc/45/98/13/384459813.db2.gz KZTWZAFLQYSKOX-UHFFFAOYSA-N 1 1 249.383 3.127 20 70 BGIDMO C[C@H](Nc1[nH+]c2ccccc2n1C)C1CCC1 ZINC000161091944 538914120 /nfs/dbraw/zinc/91/41/20/538914120.db2.gz OVSBKCXETUQKRG-JTQLQIEISA-N 1 1 229.327 3.174 20 70 BGIDMO C[C@@H](Nc1[nH+]c2ccccc2n1C)C1CCC1 ZINC000161092057 538914146 /nfs/dbraw/zinc/91/41/46/538914146.db2.gz OVSBKCXETUQKRG-SNVBAGLBSA-N 1 1 229.327 3.174 20 70 BGIDMO Cn1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)c1 ZINC000161129960 323148807 /nfs/dbraw/zinc/14/88/07/323148807.db2.gz DGGATKTXNOGTBI-UHFFFAOYSA-N 1 1 248.757 3.311 20 70 BGIDMO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000161136595 384467220 /nfs/dbraw/zinc/46/72/20/384467220.db2.gz MNQPGGMZHHPJMI-UHFFFAOYSA-N 1 1 249.745 3.004 20 70 BGIDMO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000161136595 384467215 /nfs/dbraw/zinc/46/72/15/384467215.db2.gz MNQPGGMZHHPJMI-UHFFFAOYSA-N 1 1 249.745 3.004 20 70 BGIDMO C[C@H]([NH2+]Cc1cccs1)c1cscn1 ZINC000161139336 384833470 /nfs/dbraw/zinc/83/34/70/384833470.db2.gz HENADQCIKRPQCC-QMMMGPOBSA-N 1 1 224.354 3.055 20 70 BGIDMO C[C@@H]([NH2+]Cc1cccs1)c1cscn1 ZINC000161139460 384833722 /nfs/dbraw/zinc/83/37/22/384833722.db2.gz HENADQCIKRPQCC-MRVPVSSYSA-N 1 1 224.354 3.055 20 70 BGIDMO Cc1ncccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000161149951 323149137 /nfs/dbraw/zinc/14/91/37/323149137.db2.gz BOPMGQXRRQPVGI-UHFFFAOYSA-N 1 1 244.313 3.161 20 70 BGIDMO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)s1 ZINC000161156604 384852801 /nfs/dbraw/zinc/85/28/01/384852801.db2.gz JYOIWPBYPMZROH-VIFPVBQESA-N 1 1 238.381 3.364 20 70 BGIDMO Cc1ccc(C[NH2+][C@H](C)c2cscn2)s1 ZINC000161156736 384852085 /nfs/dbraw/zinc/85/20/85/384852085.db2.gz JYOIWPBYPMZROH-SECBINFHSA-N 1 1 238.381 3.364 20 70 BGIDMO CC[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000161164960 384867072 /nfs/dbraw/zinc/86/70/72/384867072.db2.gz XGVMZUGWIIZSTK-SNVBAGLBSA-N 1 1 213.271 3.167 20 70 BGIDMO CC[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000161165088 384863966 /nfs/dbraw/zinc/86/39/66/384863966.db2.gz XGVMZUGWIIZSTK-JTQLQIEISA-N 1 1 213.271 3.167 20 70 BGIDMO Cc1ccsc1C[NH2+][C@@H](C)c1cscn1 ZINC000161169133 384866217 /nfs/dbraw/zinc/86/62/17/384866217.db2.gz NUKJPGWHWSEFPG-VIFPVBQESA-N 1 1 238.381 3.364 20 70 BGIDMO Cc1ccsc1C[NH2+][C@H](C)c1cscn1 ZINC000161169253 384866233 /nfs/dbraw/zinc/86/62/33/384866233.db2.gz NUKJPGWHWSEFPG-SECBINFHSA-N 1 1 238.381 3.364 20 70 BGIDMO CCC[N@@H+](CCO)Cc1cc2ccccc2s1 ZINC000161204541 323075888 /nfs/dbraw/zinc/07/58/88/323075888.db2.gz SMKRZWRSZICLDR-UHFFFAOYSA-N 1 1 249.379 3.106 20 70 BGIDMO COc1ccc(C[N@@H+](C)C(C)C)cc1Cl ZINC000161240764 384476718 /nfs/dbraw/zinc/47/67/18/384476718.db2.gz PXJDOABAHOWMAO-UHFFFAOYSA-N 1 1 227.735 3.189 20 70 BGIDMO C[C@@H]1CCC[C@H](C[N@@H+](C)CCc2ccncc2)C1 ZINC000161251650 349415623 /nfs/dbraw/zinc/41/56/23/349415623.db2.gz YZMGTJDJOHMLFA-ZBFHGGJFSA-N 1 1 246.398 3.382 20 70 BGIDMO C[C@H]1CCC[C@H](C[N@@H+](C)CCc2ccncc2)C1 ZINC000161251767 349415599 /nfs/dbraw/zinc/41/55/99/349415599.db2.gz YZMGTJDJOHMLFA-HOCLYGCPSA-N 1 1 246.398 3.382 20 70 BGIDMO C[C@@H]1CCC[C@@H](C[N@@H+](C)CCc2ccncc2)C1 ZINC000161251877 349415712 /nfs/dbraw/zinc/41/57/12/349415712.db2.gz YZMGTJDJOHMLFA-GDBMZVCRSA-N 1 1 246.398 3.382 20 70 BGIDMO C[C@H]1CCC[C@@H](C[N@@H+](C)CCc2ccncc2)C1 ZINC000161251999 349415389 /nfs/dbraw/zinc/41/53/89/349415389.db2.gz YZMGTJDJOHMLFA-GOEBONIOSA-N 1 1 246.398 3.382 20 70 BGIDMO C[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000161258264 349410669 /nfs/dbraw/zinc/41/06/69/349410669.db2.gz TWCABEMDODFKFZ-SNVBAGLBSA-N 1 1 236.384 3.252 20 70 BGIDMO C[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000161258264 349410667 /nfs/dbraw/zinc/41/06/67/349410667.db2.gz TWCABEMDODFKFZ-SNVBAGLBSA-N 1 1 236.384 3.252 20 70 BGIDMO C[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000161258341 349411003 /nfs/dbraw/zinc/41/10/03/349411003.db2.gz TWCABEMDODFKFZ-JTQLQIEISA-N 1 1 236.384 3.252 20 70 BGIDMO C[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000161258341 349410998 /nfs/dbraw/zinc/41/09/98/349410998.db2.gz TWCABEMDODFKFZ-JTQLQIEISA-N 1 1 236.384 3.252 20 70 BGIDMO CC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000161268792 349413733 /nfs/dbraw/zinc/41/37/33/349413733.db2.gz JFFRGFZTPYQQSJ-UHFFFAOYSA-N 1 1 236.384 3.252 20 70 BGIDMO C[C@@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000161273114 349413630 /nfs/dbraw/zinc/41/36/30/349413630.db2.gz NGLCCGOSJOLKEQ-SNVBAGLBSA-N 1 1 236.384 3.395 20 70 BGIDMO C[C@@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000161273114 349413627 /nfs/dbraw/zinc/41/36/27/349413627.db2.gz NGLCCGOSJOLKEQ-SNVBAGLBSA-N 1 1 236.384 3.395 20 70 BGIDMO C[C@H]1CCCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000161273251 349413750 /nfs/dbraw/zinc/41/37/50/349413750.db2.gz NGLCCGOSJOLKEQ-JTQLQIEISA-N 1 1 236.384 3.395 20 70 BGIDMO C[C@H]1CCCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000161273251 349413746 /nfs/dbraw/zinc/41/37/46/349413746.db2.gz NGLCCGOSJOLKEQ-JTQLQIEISA-N 1 1 236.384 3.395 20 70 BGIDMO CC[N@@H+](CCCN1CCCCC1)C1CCCC1 ZINC000161276771 387175605 /nfs/dbraw/zinc/17/56/05/387175605.db2.gz ULJWPHHCPXRXEM-UHFFFAOYSA-N 1 1 238.419 3.127 20 70 BGIDMO CC[N@H+](CCCN1CCCCC1)C1CCCC1 ZINC000161276771 387175604 /nfs/dbraw/zinc/17/56/04/387175604.db2.gz ULJWPHHCPXRXEM-UHFFFAOYSA-N 1 1 238.419 3.127 20 70 BGIDMO C[C@@H](c1ccccc1)N(C)CCC[NH+]1CCCC1 ZINC000161298245 349418142 /nfs/dbraw/zinc/41/81/42/349418142.db2.gz QTEXBKSAKHSPDT-HNNXBMFYSA-N 1 1 246.398 3.165 20 70 BGIDMO C[C@H](c1ccccc1)N(C)CCC[NH+]1CCCC1 ZINC000161298341 349418046 /nfs/dbraw/zinc/41/80/46/349418046.db2.gz QTEXBKSAKHSPDT-OAHLLOKOSA-N 1 1 246.398 3.165 20 70 BGIDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1CCCCC1 ZINC000161352739 349427522 /nfs/dbraw/zinc/42/75/22/349427522.db2.gz QQOPJHHOYHFZTK-GASCZTMLSA-N 1 1 238.419 3.125 20 70 BGIDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1CCCCC1 ZINC000161352739 349427518 /nfs/dbraw/zinc/42/75/18/349427518.db2.gz QQOPJHHOYHFZTK-GASCZTMLSA-N 1 1 238.419 3.125 20 70 BGIDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161352739 349427516 /nfs/dbraw/zinc/42/75/16/349427516.db2.gz QQOPJHHOYHFZTK-GASCZTMLSA-N 1 1 238.419 3.125 20 70 BGIDMO C[C@H]1CCC[C@H](C)[NH+]1CCCN1CCCCC1 ZINC000161352874 349427655 /nfs/dbraw/zinc/42/76/55/349427655.db2.gz QQOPJHHOYHFZTK-GJZGRUSLSA-N 1 1 238.419 3.125 20 70 BGIDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1CCCCC1 ZINC000161353001 349427480 /nfs/dbraw/zinc/42/74/80/349427480.db2.gz QQOPJHHOYHFZTK-HUUCEWRRSA-N 1 1 238.419 3.125 20 70 BGIDMO CC[C@](C)(O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000161370063 384483399 /nfs/dbraw/zinc/48/33/99/384483399.db2.gz NLSQEXDDESJLTO-HNNXBMFYSA-N 1 1 247.338 3.026 20 70 BGIDMO CC[C@@](C)(O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000161370171 171177619 /nfs/dbraw/zinc/17/76/19/171177619.db2.gz NLSQEXDDESJLTO-OAHLLOKOSA-N 1 1 247.338 3.026 20 70 BGIDMO CC(C)C[NH2+]CC(F)(F)c1ccccc1 ZINC000161389846 349439361 /nfs/dbraw/zinc/43/93/61/349439361.db2.gz HODUEXOQDNQGBV-UHFFFAOYSA-N 1 1 213.271 3.024 20 70 BGIDMO CC[N@@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000161396173 169933674 /nfs/dbraw/zinc/93/36/74/169933674.db2.gz NZCLDRMCSUBIBE-UHFFFAOYSA-N 1 1 222.357 3.005 20 70 BGIDMO CC[N@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000161396173 169933673 /nfs/dbraw/zinc/93/36/73/169933673.db2.gz NZCLDRMCSUBIBE-UHFFFAOYSA-N 1 1 222.357 3.005 20 70 BGIDMO C[C@@H](C1CC1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161461956 349454787 /nfs/dbraw/zinc/45/47/87/349454787.db2.gz DJBYKDKBICXPII-VIFPVBQESA-N 1 1 236.384 3.251 20 70 BGIDMO C[C@H](C1CC1)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000161462087 349454712 /nfs/dbraw/zinc/45/47/12/349454712.db2.gz DJBYKDKBICXPII-SECBINFHSA-N 1 1 236.384 3.251 20 70 BGIDMO CC(C)[N@@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000161493334 349465313 /nfs/dbraw/zinc/46/53/13/349465313.db2.gz NCRQARDGVGMLRL-UHFFFAOYSA-N 1 1 236.384 3.393 20 70 BGIDMO CC(C)[N@H+](Cc1csc(C2CC2)n1)C1CC1 ZINC000161493334 349465311 /nfs/dbraw/zinc/46/53/11/349465311.db2.gz NCRQARDGVGMLRL-UHFFFAOYSA-N 1 1 236.384 3.393 20 70 BGIDMO Cc1nccn1CCCC[N@H+](C)CC1CCCC1 ZINC000161504640 136277300 /nfs/dbraw/zinc/27/73/00/136277300.db2.gz OQGPVJQFQSHEDH-UHFFFAOYSA-N 1 1 249.402 3.094 20 70 BGIDMO CC(C)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000216685376 345743784 /nfs/dbraw/zinc/74/37/84/345743784.db2.gz DLGFAZYBBMONHI-UHFFFAOYSA-N 1 1 215.340 3.432 20 70 BGIDMO CCCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216730998 387039100 /nfs/dbraw/zinc/03/91/00/387039100.db2.gz HTSSLRTXFFPORH-MRXNPFEDSA-N 1 1 246.398 3.165 20 70 BGIDMO CC(C)CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000216731063 166841257 /nfs/dbraw/zinc/84/12/57/166841257.db2.gz ORCUVYVOBFJWAL-MRXNPFEDSA-N 1 1 246.398 3.021 20 70 BGIDMO Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000217800781 134250802 /nfs/dbraw/zinc/25/08/02/134250802.db2.gz HWQZRGYFQJAPCD-DGCLKSJQSA-N 1 1 248.370 3.106 20 70 BGIDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000217800850 134250541 /nfs/dbraw/zinc/25/05/41/134250541.db2.gz HWQZRGYFQJAPCD-YPMHNXCESA-N 1 1 248.370 3.106 20 70 BGIDMO Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000217929526 134250883 /nfs/dbraw/zinc/25/08/83/134250883.db2.gz YOLLUOVGWHVRCR-ZWNOBZJWSA-N 1 1 233.359 3.332 20 70 BGIDMO Cc1cc(NC[C@H]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000217929591 134250880 /nfs/dbraw/zinc/25/08/80/134250880.db2.gz YOLLUOVGWHVRCR-MFKMUULPSA-N 1 1 233.359 3.332 20 70 BGIDMO Cc1cc(NC[C@@H]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000217929668 134250945 /nfs/dbraw/zinc/25/09/45/134250945.db2.gz YOLLUOVGWHVRCR-GXFFZTMASA-N 1 1 233.359 3.332 20 70 BGIDMO Cc1cc(NC[C@H]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000217929737 134251193 /nfs/dbraw/zinc/25/11/93/134251193.db2.gz YOLLUOVGWHVRCR-GWCFXTLKSA-N 1 1 233.359 3.332 20 70 BGIDMO