smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC2=[NH+]CCS2)ccc1F ZINC000004105486 342742527 /nfs/dbraw/zinc/74/25/27/342742527.db2.gz YFMXUFDSKHHVME-UHFFFAOYSA-N 1 2 210.277 2.458 50 30 BEEALO CC[NH+](CC)CC(=O)[C@H](C#N)c1ccccc1 ZINC000004839888 342753103 /nfs/dbraw/zinc/75/31/03/342753103.db2.gz QNSCDWUUKIFBQH-CYBMUJFWSA-N 1 2 230.311 2.205 50 30 BEEALO C[C@@]([NH3+])(C#N)c1ccc(Br)cc1 ZINC000022168404 342789804 /nfs/dbraw/zinc/78/98/04/342789804.db2.gz ZCGGTBCPPHZRTQ-SECBINFHSA-N 1 2 225.089 2.147 50 30 BEEALO N#CCC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000034434286 187257223 /nfs/dbraw/zinc/25/72/23/187257223.db2.gz ZBQRHVQHNCXMLL-CQSZACIVSA-N 1 2 242.322 2.381 50 30 BEEALO N#CCC[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000034434286 187257224 /nfs/dbraw/zinc/25/72/24/187257224.db2.gz ZBQRHVQHNCXMLL-CQSZACIVSA-N 1 2 242.322 2.381 50 30 BEEALO N#Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000000075503 181073901 /nfs/dbraw/zinc/07/39/01/181073901.db2.gz YHOLVZHNEDDOJS-UHFFFAOYSA-N 1 2 203.632 2.397 50 30 BEEALO O/N=C1/c2ccccc2CC[C@@H]1Cn1cc[nH+]c1 ZINC000004344877 384058452 /nfs/dbraw/zinc/05/84/52/384058452.db2.gz IEGDOABZYCYUKF-GASGDFKYSA-N 1 2 241.294 2.324 50 30 BEEALO CC(C)CCO[C@@H]1CC[N@H+](CCC#N)C1 ZINC000096459536 385177978 /nfs/dbraw/zinc/17/79/78/385177978.db2.gz VIZUFQPZPUGVQT-GFCCVEGCSA-N 1 2 210.321 2.037 50 30 BEEALO CC(C)CCO[C@@H]1CC[N@@H+](CCC#N)C1 ZINC000096459536 385177982 /nfs/dbraw/zinc/17/79/82/385177982.db2.gz VIZUFQPZPUGVQT-GFCCVEGCSA-N 1 2 210.321 2.037 50 30 BEEALO C=CCNc1nc(NC)c2ccccc2[nH+]1 ZINC000041146875 386668196 /nfs/dbraw/zinc/66/81/96/386668196.db2.gz KTQRCGOJHBNFKD-UHFFFAOYSA-N 1 2 214.272 2.269 50 30 BEEALO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000076015939 388369078 /nfs/dbraw/zinc/36/90/78/388369078.db2.gz HALDWMXAWFNODV-CQSZACIVSA-N 1 2 232.327 2.264 50 30 BEEALO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000076015939 388369079 /nfs/dbraw/zinc/36/90/79/388369079.db2.gz HALDWMXAWFNODV-CQSZACIVSA-N 1 2 232.327 2.264 50 30 BEEALO N#CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000055505310 388422450 /nfs/dbraw/zinc/42/24/50/388422450.db2.gz IEHAEEIXKIFSHN-ZDUSSCGKSA-N 1 2 200.285 2.217 50 30 BEEALO N#CC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000055505310 388422451 /nfs/dbraw/zinc/42/24/51/388422451.db2.gz IEHAEEIXKIFSHN-ZDUSSCGKSA-N 1 2 200.285 2.217 50 30 BEEALO Oc1ccc(C=NNC2=[NH+]CCCCC2)cc1 ZINC000254449744 388758197 /nfs/dbraw/zinc/75/81/97/388758197.db2.gz HCDNHZJUSNQPBT-UHFFFAOYSA-N 1 2 231.299 2.288 50 30 BEEALO C[C@@H](CC[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000194754657 388882651 /nfs/dbraw/zinc/88/26/51/388882651.db2.gz KEQQZLZOLNMRFW-ZDUSSCGKSA-N 1 2 244.338 2.141 50 30 BEEALO C[C@H](CC[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000194754669 388882799 /nfs/dbraw/zinc/88/27/99/388882799.db2.gz KEQQZLZOLNMRFW-CYBMUJFWSA-N 1 2 244.338 2.141 50 30 BEEALO CC1(C)COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000042462047 362002028 /nfs/dbraw/zinc/00/20/28/362002028.db2.gz CXYMZSPRKDOKDS-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO CC1(C)COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000042462047 362002036 /nfs/dbraw/zinc/00/20/36/362002036.db2.gz CXYMZSPRKDOKDS-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO CCN(CC)C(=[NH2+])C(C#N)=NNc1ccccc1 ZINC000000494024 346871141 /nfs/dbraw/zinc/87/11/41/346871141.db2.gz XHKGNGBBOJVQME-FWILJLHHSA-N 1 2 243.314 2.297 50 30 BEEALO C=C(Cl)C[NH+]1CCC(C(=O)OCC)CC1 ZINC000040468388 350365654 /nfs/dbraw/zinc/36/56/54/350365654.db2.gz IXVMOVHICIFHGV-UHFFFAOYSA-N 1 2 231.723 2.014 50 30 BEEALO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC#N ZINC000071877051 180349247 /nfs/dbraw/zinc/34/92/47/180349247.db2.gz NZHIBVMTNMDZOZ-GFCCVEGCSA-N 1 2 232.331 2.088 50 30 BEEALO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC#N ZINC000071877051 180349249 /nfs/dbraw/zinc/34/92/49/180349249.db2.gz NZHIBVMTNMDZOZ-GFCCVEGCSA-N 1 2 232.331 2.088 50 30 BEEALO C=CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000060942550 166355912 /nfs/dbraw/zinc/35/59/12/166355912.db2.gz SUDAFDXBILWUDX-UHFFFAOYSA-N 1 2 222.357 2.052 50 30 BEEALO C=C(C)C[N@@H+](CC)Cc1nnc(CC)o1 ZINC000054115332 188047827 /nfs/dbraw/zinc/04/78/27/188047827.db2.gz CIEVCLVREOFKGM-UHFFFAOYSA-N 1 2 209.293 2.030 50 30 BEEALO C=C(C)C[N@H+](CC)Cc1nnc(CC)o1 ZINC000054115332 188047828 /nfs/dbraw/zinc/04/78/28/188047828.db2.gz CIEVCLVREOFKGM-UHFFFAOYSA-N 1 2 209.293 2.030 50 30 BEEALO C[NH+]=C(Nc1ccccc1OC)SC ZINC000004347969 188276534 /nfs/dbraw/zinc/27/65/34/188276534.db2.gz HNCOLANXHWEDEF-UHFFFAOYSA-N 1 2 210.302 2.456 50 30 BEEALO N#CCCn1cc[nH+]c1-c1cccc([N+](=O)[O-])c1 ZINC000049082091 188298814 /nfs/dbraw/zinc/29/88/14/188298814.db2.gz HYZRVQNWIKQWCW-UHFFFAOYSA-N 1 2 242.238 2.372 50 30 BEEALO N#C[C@@H](C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000054649311 181054774 /nfs/dbraw/zinc/05/47/74/181054774.db2.gz WDVXWMAPADDPET-CQSZACIVSA-N 1 2 242.322 2.349 50 30 BEEALO C=CCS[C@H]1[NH2+]C(C)(C)C[C@@]2(C)OCCN12 ZINC000230145879 371860946 /nfs/dbraw/zinc/86/09/46/371860946.db2.gz PBRZRVHQGPVTME-CMPLNLGQSA-N 1 2 242.388 2.010 50 30 BEEALO COC(O)=CC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000102320599 384705570 /nfs/dbraw/zinc/70/55/70/384705570.db2.gz MSVFZVATGKGIRR-MDWZMJQESA-N 1 2 244.250 2.101 50 30 BEEALO C#CC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000192222193 387356219 /nfs/dbraw/zinc/35/62/19/387356219.db2.gz SAUNPIVFHQHDKR-UHFFFAOYSA-N 1 2 232.308 2.468 50 30 BEEALO C#CC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000192222193 387356226 /nfs/dbraw/zinc/35/62/26/387356226.db2.gz SAUNPIVFHQHDKR-UHFFFAOYSA-N 1 2 232.308 2.468 50 30 BEEALO CC(=NO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000254446114 388755523 /nfs/dbraw/zinc/75/55/23/388755523.db2.gz XHUOZYQEOZTAJF-UHFFFAOYSA-N 1 2 201.229 2.071 50 30 BEEALO Cc1cc(N2CCSCC2)c(C#N)c(C)[nH+]1 ZINC000033872381 132336099 /nfs/dbraw/zinc/33/60/99/132336099.db2.gz WVZJRRPIMAMIAL-UHFFFAOYSA-N 1 2 233.340 2.123 50 30 BEEALO C=CCN(Cc1[nH]c[nH+]c1C)Cc1cccnc1 ZINC000065376249 166346885 /nfs/dbraw/zinc/34/68/85/166346885.db2.gz RXYWYWCAXTWCKY-UHFFFAOYSA-N 1 2 242.326 2.301 50 30 BEEALO CC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000078947890 171085858 /nfs/dbraw/zinc/08/58/58/171085858.db2.gz ACMPWWIZUVBOCS-NWDGAFQWSA-N 1 2 237.372 2.257 50 30 BEEALO CC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000078947890 171085860 /nfs/dbraw/zinc/08/58/60/171085860.db2.gz ACMPWWIZUVBOCS-NWDGAFQWSA-N 1 2 237.372 2.257 50 30 BEEALO C[C@H](CC#N)[NH2+][C@H]1CCOc2ccccc21 ZINC000051986791 176597528 /nfs/dbraw/zinc/59/75/28/176597528.db2.gz KRJGVEXGALAECP-PWSUYJOCSA-N 1 2 216.284 2.402 50 30 BEEALO C[C@H]1C[NH+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000019508223 177266098 /nfs/dbraw/zinc/26/60/98/177266098.db2.gz BKGQCXMOQZPNQY-RYUDHWBXSA-N 1 2 230.311 2.167 50 30 BEEALO CCCCCCCCCc1nc(N)nc(N)[nH+]1 ZINC000001557209 342702792 /nfs/dbraw/zinc/70/27/92/342702792.db2.gz BDPPZSFVSOBOIX-UHFFFAOYSA-N 1 2 237.351 2.329 50 30 BEEALO Cc1cc(C)nc(NC(=[NH2+])Nc2ccccc2)n1 ZINC000004133670 342743084 /nfs/dbraw/zinc/74/30/84/342743084.db2.gz VPUNGERWGVXPEK-UHFFFAOYSA-N 1 2 241.298 2.152 50 30 BEEALO CC([NH+]=c1[nH]c2ccccc2[nH]1)=C1CCOC1=O ZINC000013397930 342866678 /nfs/dbraw/zinc/86/66/78/342866678.db2.gz TXIJGUHNNCGKQE-MBBDXHFBSA-N 1 2 243.266 2.218 50 30 BEEALO C[NH+]=Cc1cc2cc(C)ccc2[nH]c1=O ZINC000096101549 191054718 /nfs/dbraw/zinc/05/47/18/191054718.db2.gz YBTMVLYMBQPPGW-NTUHNPAUSA-N 1 2 200.241 2.298 50 30 BEEALO C=C(C)C[N@@H+](CC)Cc1nc(CC)no1 ZINC000065564557 188051261 /nfs/dbraw/zinc/05/12/61/188051261.db2.gz FSUCDRQKRUBWLB-UHFFFAOYSA-N 1 2 209.293 2.030 50 30 BEEALO C=C(C)C[N@H+](CC)Cc1nc(CC)no1 ZINC000065564557 188051262 /nfs/dbraw/zinc/05/12/62/188051262.db2.gz FSUCDRQKRUBWLB-UHFFFAOYSA-N 1 2 209.293 2.030 50 30 BEEALO C=CCS[C@@H]1[NH2+]C(C)(C)C[C@@]2(C)OCCN12 ZINC000019328310 188349745 /nfs/dbraw/zinc/34/97/45/188349745.db2.gz PBRZRVHQGPVTME-ZYHUDNBSSA-N 1 2 242.388 2.010 50 30 BEEALO C=CCOc1ccccc1C[NH+]1CCOCC1 ZINC000019634772 356484262 /nfs/dbraw/zinc/48/42/62/356484262.db2.gz UEOBBFXQFKQASD-UHFFFAOYSA-N 1 2 233.311 2.084 50 30 BEEALO C=CCS[C@H]1[NH2+]C(C)(C)C[C@]2(C)OCCN12 ZINC000230145882 371861462 /nfs/dbraw/zinc/86/14/62/371861462.db2.gz PBRZRVHQGPVTME-JQWIXIFHSA-N 1 2 242.388 2.010 50 30 BEEALO Cc1cccc(N2CC[NH+](CCC#N)CC2)c1 ZINC000019432309 386115220 /nfs/dbraw/zinc/11/52/20/386115220.db2.gz RGNKZQPLZJEZLP-UHFFFAOYSA-N 1 2 229.327 2.031 50 30 BEEALO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)CC#N)s1 ZINC000075110260 386825575 /nfs/dbraw/zinc/82/55/75/386825575.db2.gz BHWYGLHOGZQBJD-QMMMGPOBSA-N 1 2 223.345 2.494 50 30 BEEALO Cc1nc(C)c(C[N@H+](C)[C@@H](C)CC#N)s1 ZINC000075110260 386825581 /nfs/dbraw/zinc/82/55/81/386825581.db2.gz BHWYGLHOGZQBJD-QMMMGPOBSA-N 1 2 223.345 2.494 50 30 BEEALO CC[N@H+](CC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885309 388403427 /nfs/dbraw/zinc/40/34/27/388403427.db2.gz RRRORWFCCWPFCR-LBPRGKRZSA-N 1 2 232.327 2.472 50 30 BEEALO CC[N@@H+](CC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885309 388403430 /nfs/dbraw/zinc/40/34/30/388403430.db2.gz RRRORWFCCWPFCR-LBPRGKRZSA-N 1 2 232.327 2.472 50 30 BEEALO C[C@@H](CC#N)[NH2+][C@H]1CCOc2ccccc21 ZINC000051986789 175638917 /nfs/dbraw/zinc/63/89/17/175638917.db2.gz KRJGVEXGALAECP-JQWIXIFHSA-N 1 2 216.284 2.402 50 30 BEEALO Cc1c[nH+]c(N)c(C#C[Si](C)(C)C)c1 ZINC000169794069 963878164 /nfs/dbraw/zinc/87/81/64/963878164.db2.gz NMFPYZARSQCPID-UHFFFAOYSA-N 1 2 204.349 2.201 50 30 BEEALO CCC[N@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000072292465 343192534 /nfs/dbraw/zinc/19/25/34/343192534.db2.gz NTBSSVKXFXXBEY-ZDUSSCGKSA-N 1 2 246.310 2.114 50 30 BEEALO CCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000072292465 343192535 /nfs/dbraw/zinc/19/25/35/343192535.db2.gz NTBSSVKXFXXBEY-ZDUSSCGKSA-N 1 2 246.310 2.114 50 30 BEEALO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035248239 356425342 /nfs/dbraw/zinc/42/53/42/356425342.db2.gz CSZUBUURGJUAPS-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035248239 356425344 /nfs/dbraw/zinc/42/53/44/356425344.db2.gz CSZUBUURGJUAPS-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO Oc1ccc(O)c([S+]2CCCCC2)c1 ZINC000004084825 183276282 /nfs/dbraw/zinc/27/62/82/183276282.db2.gz GAPVNDNRCHSRSI-UHFFFAOYSA-O 1 2 211.306 2.259 50 30 BEEALO C[NH+](C)CCCCCCCCC(=O)/C=N/O ZINC000012650595 384331643 /nfs/dbraw/zinc/33/16/43/384331643.db2.gz ZGVASHKGRBMDIQ-ACCUITESSA-N 1 2 228.336 2.308 50 30 BEEALO C=C(Br)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052442859 385735662 /nfs/dbraw/zinc/73/56/62/385735662.db2.gz IYMWWXMVKYFNGM-JTQLQIEISA-N 1 2 248.164 2.396 50 30 BEEALO C=C(Br)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052442859 385735667 /nfs/dbraw/zinc/73/56/67/385735667.db2.gz IYMWWXMVKYFNGM-JTQLQIEISA-N 1 2 248.164 2.396 50 30 BEEALO C[C@@H](CC#N)[NH2+][C@@H]1CCOc2ccccc21 ZINC000051986786 386673518 /nfs/dbraw/zinc/67/35/18/386673518.db2.gz KRJGVEXGALAECP-CMPLNLGQSA-N 1 2 216.284 2.402 50 30 BEEALO CC[N@H+](CC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885311 388403777 /nfs/dbraw/zinc/40/37/77/388403777.db2.gz RRRORWFCCWPFCR-GFCCVEGCSA-N 1 2 232.327 2.472 50 30 BEEALO CC[N@@H+](CC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885311 388403779 /nfs/dbraw/zinc/40/37/79/388403779.db2.gz RRRORWFCCWPFCR-GFCCVEGCSA-N 1 2 232.327 2.472 50 30 BEEALO C=CCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000244914782 388413319 /nfs/dbraw/zinc/41/33/19/388413319.db2.gz BDSYYCXLIDXSDQ-CYBMUJFWSA-N 1 2 246.310 2.028 50 30 BEEALO CC[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000229837035 171085322 /nfs/dbraw/zinc/08/53/22/171085322.db2.gz ACMPWWIZUVBOCS-VXGBXAGGSA-N 1 2 237.372 2.257 50 30 BEEALO CC[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000229837035 171085324 /nfs/dbraw/zinc/08/53/24/171085324.db2.gz ACMPWWIZUVBOCS-VXGBXAGGSA-N 1 2 237.372 2.257 50 30 BEEALO COc1ccccc1C[C@@H]([NH2+]CC#N)C(C)C ZINC000097110982 175332421 /nfs/dbraw/zinc/33/24/21/175332421.db2.gz ITJWFSOEBILMKJ-CYBMUJFWSA-N 1 2 232.327 2.375 50 30 BEEALO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@H](C)CO1 ZINC000034865710 176301456 /nfs/dbraw/zinc/30/14/56/176301456.db2.gz FYKRSLAGOGRQME-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@H](C)CO1 ZINC000034865710 176301458 /nfs/dbraw/zinc/30/14/58/176301458.db2.gz FYKRSLAGOGRQME-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO Cc1n[nH]cc1Nc1cc(C)[nH+]c(C)c1C#N ZINC000095418990 178191664 /nfs/dbraw/zinc/19/16/64/178191664.db2.gz KNNYHZRBJDJUKD-UHFFFAOYSA-N 1 2 227.271 2.345 50 30 BEEALO C#CC[NH2+][C@@H](C)c1nc(C2CCCC2)no1 ZINC000097374561 166191099 /nfs/dbraw/zinc/19/10/99/166191099.db2.gz LCDCZOOUKUUSSB-VIFPVBQESA-N 1 2 219.288 2.011 50 30 BEEALO CC#CCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181203448 346752424 /nfs/dbraw/zinc/75/24/24/346752424.db2.gz GXUXQOXMKMLTKR-UHFFFAOYSA-N 1 2 240.262 2.052 50 30 BEEALO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000038011561 188289795 /nfs/dbraw/zinc/28/97/95/188289795.db2.gz QACNKAWJEPQQEY-JTQLQIEISA-N 1 2 240.310 2.441 50 30 BEEALO N#Cc1ccc2[nH]c(-c3ccc[nH+]c3N)nc2c1 ZINC000084847044 181133168 /nfs/dbraw/zinc/13/31/68/181133168.db2.gz UADCJGMSJJWHTJ-UHFFFAOYSA-N 1 2 235.250 2.079 50 30 BEEALO O=[N+]([O-])c1ccc(F)c(NC2=[NH+]CCC2)c1 ZINC000003263756 371934269 /nfs/dbraw/zinc/93/42/69/371934269.db2.gz MTUHUFHQXUPTQA-UHFFFAOYSA-N 1 2 223.207 2.147 50 30 BEEALO Cn1c2ccccc2[nH+]c1CCCOCCC#N ZINC000004317688 372203133 /nfs/dbraw/zinc/20/31/33/372203133.db2.gz HSCNIVUZUYJRQM-UHFFFAOYSA-N 1 2 243.310 2.436 50 30 BEEALO CSc1nsc(/C=C/[NH+](C)C)c1C#N ZINC000050399800 384625297 /nfs/dbraw/zinc/62/52/97/384625297.db2.gz VAQNVGNVNAYIBX-SNAWJCMRSA-N 1 2 225.342 2.269 50 30 BEEALO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC000023675586 384804117 /nfs/dbraw/zinc/80/41/17/384804117.db2.gz QJQHNLFTAFKISJ-NEPJUHHUSA-N 1 2 228.299 2.176 50 30 BEEALO C=CCCCN(C)c1nc[nH+]c(N)c1Cl ZINC000234269136 388595838 /nfs/dbraw/zinc/59/58/38/388595838.db2.gz PBULKCNITYMKMF-UHFFFAOYSA-N 1 2 226.711 2.115 50 30 BEEALO C=CCCCN(C)c1[nH+]cnc(N)c1Cl ZINC000234269136 388595840 /nfs/dbraw/zinc/59/58/40/388595840.db2.gz PBULKCNITYMKMF-UHFFFAOYSA-N 1 2 226.711 2.115 50 30 BEEALO N#Cc1ccc2[nH+]cc(/C=C\c3ccncn3)n2c1 ZINC000255116802 388675009 /nfs/dbraw/zinc/67/50/09/388675009.db2.gz ATQZTARFZTZDPW-IHWYPQMZSA-N 1 2 247.261 2.166 50 30 BEEALO C[C@H](C#N)Sc1[nH+]cc2ccccn21 ZINC000079440942 388749896 /nfs/dbraw/zinc/74/98/96/388749896.db2.gz FZMDXWAFQJXCOL-MRVPVSSYSA-N 1 2 203.270 2.338 50 30 BEEALO CCN(C[C@H](C)C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000096489219 388820050 /nfs/dbraw/zinc/82/00/50/388820050.db2.gz COOBHVLTLUTSPV-SNVBAGLBSA-N 1 2 246.314 2.404 50 30 BEEALO CCOc1ccc(NC2=[NH+]CCS2)cc1 ZINC000013835939 170534963 /nfs/dbraw/zinc/53/49/63/170534963.db2.gz NYPSBGMCQHLKQL-UHFFFAOYSA-N 1 2 222.313 2.409 50 30 BEEALO CN(C)/C=[NH+]/c1nnc(C(C)(C)C)s1 ZINC000004300296 172351950 /nfs/dbraw/zinc/35/19/50/172351950.db2.gz OSRZMOYRHWUZEN-UXBLZVDNSA-N 1 2 212.322 2.057 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000019441852 177262685 /nfs/dbraw/zinc/26/26/85/177262685.db2.gz JJLGZPOWFIPZHS-PHIMTYICSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000019441852 177262687 /nfs/dbraw/zinc/26/26/87/177262687.db2.gz JJLGZPOWFIPZHS-PHIMTYICSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000027647155 177301887 /nfs/dbraw/zinc/30/18/87/177301887.db2.gz FYKRSLAGOGRQME-WDEREUQCSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000027647155 177301888 /nfs/dbraw/zinc/30/18/88/177301888.db2.gz FYKRSLAGOGRQME-WDEREUQCSA-N 1 2 248.301 2.307 50 30 BEEALO Cc1c(C(C)C)nc(N)c(C#N)c1-c1c[nH]c[nH+]1 ZINC000071661476 490290262 /nfs/dbraw/zinc/29/02/62/490290262.db2.gz DREZIQDMKSLNSV-UHFFFAOYSA-N 1 2 241.298 2.357 50 30 BEEALO Cc1cc2[nH+]cn(C[C@@H]3CO3)c2cc1C ZINC000019277819 178305733 /nfs/dbraw/zinc/30/57/33/178305733.db2.gz WEQAYQJLHNWZLQ-SNVBAGLBSA-N 1 2 202.257 2.052 50 30 BEEALO Cc1nnc(C)n1/[NH+]=C/C=C/c1ccco1 ZINC000033344410 180398801 /nfs/dbraw/zinc/39/88/01/180398801.db2.gz KGTBJYDTRLYHMO-PPRDQHCASA-N 1 2 216.244 2.035 50 30 BEEALO C=C(Br)C[N@H+](C)C[C@H]1CCCCO1 ZINC000052442860 191115256 /nfs/dbraw/zinc/11/52/56/191115256.db2.gz IYMWWXMVKYFNGM-SNVBAGLBSA-N 1 2 248.164 2.396 50 30 BEEALO C=C(Br)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000052442860 191115258 /nfs/dbraw/zinc/11/52/58/191115258.db2.gz IYMWWXMVKYFNGM-SNVBAGLBSA-N 1 2 248.164 2.396 50 30 BEEALO CC[N@@H+](CC#N)CCCc1ccccc1 ZINC000045061145 352560159 /nfs/dbraw/zinc/56/01/59/352560159.db2.gz SEPWCNJSUTYXSH-UHFFFAOYSA-N 1 2 202.301 2.465 50 30 BEEALO CC[N@H+](CC#N)CCCc1ccccc1 ZINC000045061145 352560163 /nfs/dbraw/zinc/56/01/63/352560163.db2.gz SEPWCNJSUTYXSH-UHFFFAOYSA-N 1 2 202.301 2.465 50 30 BEEALO C=CCn1c2ccccc2[nH+]c1N1CCOCC1 ZINC000000350131 355894443 /nfs/dbraw/zinc/89/44/43/355894443.db2.gz FVNDLYXRMDRNKQ-UHFFFAOYSA-N 1 2 243.310 2.059 50 30 BEEALO CC[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000035216062 356392121 /nfs/dbraw/zinc/39/21/21/356392121.db2.gz DOJKLLMQYSHFIP-CQSZACIVSA-N 1 2 230.311 2.169 50 30 BEEALO CC[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000035216062 356392125 /nfs/dbraw/zinc/39/21/25/356392125.db2.gz DOJKLLMQYSHFIP-CQSZACIVSA-N 1 2 230.311 2.169 50 30 BEEALO CC[C@@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccn1 ZINC000032578158 384292129 /nfs/dbraw/zinc/29/21/29/384292129.db2.gz USSBCXIBDBKOSG-LBPRGKRZSA-N 1 2 241.298 2.040 50 30 BEEALO C[N@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000097113595 384369529 /nfs/dbraw/zinc/36/95/29/384369529.db2.gz CTYTVBYHWMRIKT-UHFFFAOYSA-N 1 2 227.267 2.178 50 30 BEEALO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccnc1 ZINC000097113595 384369538 /nfs/dbraw/zinc/36/95/38/384369538.db2.gz CTYTVBYHWMRIKT-UHFFFAOYSA-N 1 2 227.267 2.178 50 30 BEEALO C[C@@H](C#N)Sc1[nH+]cc2ccccn21 ZINC000079440937 384495223 /nfs/dbraw/zinc/49/52/23/384495223.db2.gz FZMDXWAFQJXCOL-QMMMGPOBSA-N 1 2 203.270 2.338 50 30 BEEALO COC(=O)C1([NH2+]CCCC#N)CCC(C)CC1 ZINC000096424468 385163480 /nfs/dbraw/zinc/16/34/80/385163480.db2.gz LCLNWSMABNEESA-UHFFFAOYSA-N 1 2 238.331 2.002 50 30 BEEALO Fc1ccc(C#CCOCc2[nH]cc[nH+]2)cc1 ZINC000096494656 385234762 /nfs/dbraw/zinc/23/47/62/385234762.db2.gz DOLPCMZPWQTWES-UHFFFAOYSA-N 1 2 230.242 2.117 50 30 BEEALO C=CC[C@@H](C#Cc1ccccc1)[NH+]1CCOCC1 ZINC000019805238 386783465 /nfs/dbraw/zinc/78/34/65/386783465.db2.gz KDRAQSNCXIUFGZ-INIZCTEOSA-N 1 2 241.334 2.315 50 30 BEEALO C#CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248058 386910092 /nfs/dbraw/zinc/91/00/92/386910092.db2.gz HMZUHSUVKVCOHG-CYBMUJFWSA-N 1 2 235.714 2.347 50 30 BEEALO C#CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248058 386910096 /nfs/dbraw/zinc/91/00/96/386910096.db2.gz HMZUHSUVKVCOHG-CYBMUJFWSA-N 1 2 235.714 2.347 50 30 BEEALO CCN(C[C@@H](C)C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000096489218 169879030 /nfs/dbraw/zinc/87/90/30/169879030.db2.gz COOBHVLTLUTSPV-JTQLQIEISA-N 1 2 246.314 2.404 50 30 BEEALO C[N@H+](Cc1ccc(C#N)o1)Cc1ccncc1 ZINC000183747587 411432812 /nfs/dbraw/zinc/43/28/12/411432812.db2.gz SSNFSXRZCSMRME-UHFFFAOYSA-N 1 2 227.267 2.178 50 30 BEEALO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccncc1 ZINC000183747587 411432818 /nfs/dbraw/zinc/43/28/18/411432818.db2.gz SSNFSXRZCSMRME-UHFFFAOYSA-N 1 2 227.267 2.178 50 30 BEEALO COc1ccc(C#N)cc1COCc1[nH]cc[nH+]1 ZINC000095990975 175051972 /nfs/dbraw/zinc/05/19/72/175051972.db2.gz AQEZYZITXHHGNT-UHFFFAOYSA-N 1 2 243.266 2.007 50 30 BEEALO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000035216167 176302589 /nfs/dbraw/zinc/30/25/89/176302589.db2.gz YBLQRKRUMLXLKN-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000035216167 176302591 /nfs/dbraw/zinc/30/25/91/176302591.db2.gz YBLQRKRUMLXLKN-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO C=CC[N@@H+](Cc1nnnn1CCC)C1CCCC1 ZINC000048308615 487897681 /nfs/dbraw/zinc/89/76/81/487897681.db2.gz HQGPRYBOHAIPQZ-UHFFFAOYSA-N 1 2 249.362 2.014 50 30 BEEALO C=CC[N@H+](Cc1nnnn1CCC)C1CCCC1 ZINC000048308615 487897683 /nfs/dbraw/zinc/89/76/83/487897683.db2.gz HQGPRYBOHAIPQZ-UHFFFAOYSA-N 1 2 249.362 2.014 50 30 BEEALO C=C(Cl)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588355 518650598 /nfs/dbraw/zinc/65/05/98/518650598.db2.gz CPNNWRSUBQIRCH-GFCCVEGCSA-N 1 2 245.750 2.009 50 30 BEEALO C=C(Cl)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000328588355 518650607 /nfs/dbraw/zinc/65/06/07/518650607.db2.gz CPNNWRSUBQIRCH-GFCCVEGCSA-N 1 2 245.750 2.009 50 30 BEEALO Cc1ccc(/[NH+]=C/N(C)C)c2nsnc21 ZINC000103541893 178360193 /nfs/dbraw/zinc/36/01/93/178360193.db2.gz GALHYJFMIBFGJA-IZZDOVSWSA-N 1 2 220.301 2.221 50 30 BEEALO CC1(C)COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000042462049 362001856 /nfs/dbraw/zinc/00/18/56/362001856.db2.gz TYEHJZIMWBRVEZ-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO CC1(C)COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000042462049 362001859 /nfs/dbraw/zinc/00/18/59/362001859.db2.gz TYEHJZIMWBRVEZ-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC#N ZINC000071877050 180347037 /nfs/dbraw/zinc/34/70/37/180347037.db2.gz NZHIBVMTNMDZOZ-LBPRGKRZSA-N 1 2 232.331 2.088 50 30 BEEALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC#N ZINC000071877050 180347039 /nfs/dbraw/zinc/34/70/39/180347039.db2.gz NZHIBVMTNMDZOZ-LBPRGKRZSA-N 1 2 232.331 2.088 50 30 BEEALO N#Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000062793871 188303635 /nfs/dbraw/zinc/30/36/35/188303635.db2.gz QPTPQRWIILISSY-UHFFFAOYSA-N 1 2 203.632 2.397 50 30 BEEALO C[N@H+](CCCCC(=O)/C=N/O)Cc1ccccc1 ZINC000001820193 358953797 /nfs/dbraw/zinc/95/37/97/358953797.db2.gz JRHGCOJEYPIXNR-RVDMUPIBSA-N 1 2 248.326 2.318 50 30 BEEALO C[N@@H+](CCCCC(=O)/C=N/O)Cc1ccccc1 ZINC000001820193 358953799 /nfs/dbraw/zinc/95/37/99/358953799.db2.gz JRHGCOJEYPIXNR-RVDMUPIBSA-N 1 2 248.326 2.318 50 30 BEEALO [NH2+]=C1NC(=NNc2ccccc2)c2ccccc21 ZINC000070503730 181337584 /nfs/dbraw/zinc/33/75/84/181337584.db2.gz XBVFGEHZRVLBOS-UHFFFAOYSA-N 1 2 236.278 2.179 50 30 BEEALO CC[N@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000078993126 384713007 /nfs/dbraw/zinc/71/30/07/384713007.db2.gz OZQNZTNCRPEVDH-UHFFFAOYSA-N 1 2 245.326 2.381 50 30 BEEALO CC[N@@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000078993126 384713013 /nfs/dbraw/zinc/71/30/13/384713013.db2.gz OZQNZTNCRPEVDH-UHFFFAOYSA-N 1 2 245.326 2.381 50 30 BEEALO CC(C)CCO[C@H]1CC[N@H+](CCC#N)C1 ZINC000096459540 385177729 /nfs/dbraw/zinc/17/77/29/385177729.db2.gz VIZUFQPZPUGVQT-LBPRGKRZSA-N 1 2 210.321 2.037 50 30 BEEALO CC(C)CCO[C@H]1CC[N@@H+](CCC#N)C1 ZINC000096459540 385177734 /nfs/dbraw/zinc/17/77/34/385177734.db2.gz VIZUFQPZPUGVQT-LBPRGKRZSA-N 1 2 210.321 2.037 50 30 BEEALO C#CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000072318938 385923482 /nfs/dbraw/zinc/92/34/82/385923482.db2.gz IJLLVHBZJPQPKE-UHFFFAOYSA-N 1 2 216.309 2.361 50 30 BEEALO C#CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000072318938 385923490 /nfs/dbraw/zinc/92/34/90/385923490.db2.gz IJLLVHBZJPQPKE-UHFFFAOYSA-N 1 2 216.309 2.361 50 30 BEEALO Cc1nc(C)c(C[N@@H+](C)[C@H](C)CC#N)s1 ZINC000075110263 386825452 /nfs/dbraw/zinc/82/54/52/386825452.db2.gz BHWYGLHOGZQBJD-MRVPVSSYSA-N 1 2 223.345 2.494 50 30 BEEALO Cc1nc(C)c(C[N@H+](C)[C@H](C)CC#N)s1 ZINC000075110263 386825456 /nfs/dbraw/zinc/82/54/56/386825456.db2.gz BHWYGLHOGZQBJD-MRVPVSSYSA-N 1 2 223.345 2.494 50 30 BEEALO O/N=C1C(=C\c2ccco2)\[NH+]2CCC\1CC2 ZINC000013756493 388174683 /nfs/dbraw/zinc/17/46/83/388174683.db2.gz GDVIGVSHAWGESR-PMESKEJUSA-N 1 2 218.256 2.176 50 30 BEEALO Oc1ccccc1C=NNC1=[NH+]CCCCC1 ZINC000254403749 388744114 /nfs/dbraw/zinc/74/41/14/388744114.db2.gz ONWLHEBUBNCKHN-UHFFFAOYSA-N 1 2 231.299 2.288 50 30 BEEALO C[C@]([NH3+])(C#N)c1ccc(Br)cc1 ZINC000022168407 397931245 /nfs/dbraw/zinc/93/12/45/397931245.db2.gz ZCGGTBCPPHZRTQ-VIFPVBQESA-N 1 2 225.089 2.147 50 30 BEEALO CN(C)/C=C\C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000100255686 172351421 /nfs/dbraw/zinc/35/14/21/172351421.db2.gz FXWWXRGTJRQUCF-CLFYSBASSA-N 1 2 241.294 2.130 50 30 BEEALO COc1ccc(NC2=[NH+]C[C@H](C)S2)cc1 ZINC000000194621 175049799 /nfs/dbraw/zinc/04/97/99/175049799.db2.gz QKRSEPBFXYHLIO-QMMMGPOBSA-N 1 2 222.313 2.408 50 30 BEEALO C[C@@H]1C[N@H+](C)[C@H](C)/C(=C/c2ccco2)C1=O ZINC000035447218 176278436 /nfs/dbraw/zinc/27/84/36/176278436.db2.gz APPPFSHVPNUUPK-RVHFJXANSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@@H]1C[N@@H+](C)[C@H](C)/C(=C/c2ccco2)C1=O ZINC000035447218 176278438 /nfs/dbraw/zinc/27/84/38/176278438.db2.gz APPPFSHVPNUUPK-RVHFJXANSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000019508221 177266122 /nfs/dbraw/zinc/26/61/22/177266122.db2.gz BKGQCXMOQZPNQY-TXEJJXNPSA-N 1 2 230.311 2.167 50 30 BEEALO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)O1 ZINC000019508221 177266123 /nfs/dbraw/zinc/26/61/23/177266123.db2.gz BKGQCXMOQZPNQY-TXEJJXNPSA-N 1 2 230.311 2.167 50 30 BEEALO C#CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248057 166172058 /nfs/dbraw/zinc/17/20/58/166172058.db2.gz HMZUHSUVKVCOHG-ZDUSSCGKSA-N 1 2 235.714 2.347 50 30 BEEALO C#CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248057 166172060 /nfs/dbraw/zinc/17/20/60/166172060.db2.gz HMZUHSUVKVCOHG-ZDUSSCGKSA-N 1 2 235.714 2.347 50 30 BEEALO Cc1ccc(NC2=[NH+]CCS2)cc1F ZINC000012368468 178360056 /nfs/dbraw/zinc/36/00/56/178360056.db2.gz WNPKSZOGGFCPAJ-UHFFFAOYSA-N 1 2 210.277 2.458 50 30 BEEALO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccn1 ZINC000023675592 343066487 /nfs/dbraw/zinc/06/64/87/343066487.db2.gz QJQHNLFTAFKISJ-VXGBXAGGSA-N 1 2 228.299 2.176 50 30 BEEALO N#CCC[C@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000034434287 187257614 /nfs/dbraw/zinc/25/76/14/187257614.db2.gz ZBQRHVQHNCXMLL-AWEZNQCLSA-N 1 2 242.322 2.381 50 30 BEEALO N#CCC[C@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000034434287 187257615 /nfs/dbraw/zinc/25/76/15/187257615.db2.gz ZBQRHVQHNCXMLL-AWEZNQCLSA-N 1 2 242.322 2.381 50 30 BEEALO N#Cc1cc(Cl)ccc1Cn1cc[nH+]c1 ZINC000335726140 136347341 /nfs/dbraw/zinc/34/73/41/136347341.db2.gz MJLLRUIAWUZIHW-UHFFFAOYSA-N 1 2 217.659 2.456 50 30 BEEALO N#Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC000061851257 345962112 /nfs/dbraw/zinc/96/21/12/345962112.db2.gz RXCPWFQEGHGXEB-UHFFFAOYSA-N 1 2 203.632 2.397 50 30 BEEALO CN(C)c1ccc(Nc2ccc(C#N)cn2)c[nH+]1 ZINC000023619039 187320416 /nfs/dbraw/zinc/32/04/16/187320416.db2.gz YIYIODGIWMYUPU-UHFFFAOYSA-N 1 2 239.282 2.158 50 30 BEEALO C=CCn1c2ccccc2[nH+]c1CCCO ZINC000012379161 188052167 /nfs/dbraw/zinc/05/21/67/188052167.db2.gz RKHDEHPPKVOXRV-UHFFFAOYSA-N 1 2 216.284 2.147 50 30 BEEALO C/C(=N/O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095082489 188318799 /nfs/dbraw/zinc/31/87/99/188318799.db2.gz XHUOZYQEOZTAJF-LCYFTJDESA-N 1 2 201.229 2.071 50 30 BEEALO N#Cc1ccc(F)c(C[NH+]2CCSCC2)c1 ZINC000020257269 181113292 /nfs/dbraw/zinc/11/32/92/181113292.db2.gz UBRWLGXEKDDSET-UHFFFAOYSA-N 1 2 236.315 2.246 50 30 BEEALO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)nc1 ZINC000040024846 181124283 /nfs/dbraw/zinc/12/42/83/181124283.db2.gz BOFXHNYNDSXKSE-UHFFFAOYSA-N 1 2 249.277 2.213 50 30 BEEALO N#Cc1ncc(C(F)(F)F)cc1-n1cc[nH+]c1 ZINC000261494891 181170568 /nfs/dbraw/zinc/17/05/68/181170568.db2.gz PYWYRSPSNHGORB-UHFFFAOYSA-N 1 2 238.172 2.158 50 30 BEEALO OCC/[NH+]=C1/CCCc2c3ccccc3[nH]c21 ZINC000012410099 183035335 /nfs/dbraw/zinc/03/53/35/183035335.db2.gz AKJUGUCMXXVASA-SQFISAMPSA-N 1 2 228.295 2.286 50 30 BEEALO O/N=C(\C[NH+]1CCCCC1)c1ccccc1 ZINC000000136559 383833967 /nfs/dbraw/zinc/83/39/67/383833967.db2.gz ONQHVDKNKWGSIH-BUHFOSPRSA-N 1 2 218.300 2.351 50 30 BEEALO CC1(C)CC(=O)C=C(NCCCn2cc[nH+]c2)C1 ZINC000013371071 384355445 /nfs/dbraw/zinc/35/54/45/384355445.db2.gz HNRFKBASTAGVMJ-UHFFFAOYSA-N 1 2 247.342 2.136 50 30 BEEALO O=C(/C=N/O)CCCCC[NH+]1CCCCCC1 ZINC000019720869 384534248 /nfs/dbraw/zinc/53/42/48/384534248.db2.gz DLDCIMJAXZRTIB-WYMLVPIESA-N 1 2 240.347 2.452 50 30 BEEALO C[C@H](CC#N)[NH2+][C@@H]1CCOc2ccccc21 ZINC000051986788 386672457 /nfs/dbraw/zinc/67/24/57/386672457.db2.gz KRJGVEXGALAECP-ZYHUDNBSSA-N 1 2 216.284 2.402 50 30 BEEALO CC[N@H+](CCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000076015938 388369214 /nfs/dbraw/zinc/36/92/14/388369214.db2.gz HALDWMXAWFNODV-AWEZNQCLSA-N 1 2 232.327 2.264 50 30 BEEALO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000076015938 388369216 /nfs/dbraw/zinc/36/92/16/388369216.db2.gz HALDWMXAWFNODV-AWEZNQCLSA-N 1 2 232.327 2.264 50 30 BEEALO N#CCC[NH+]1CCC(Nc2ccccc2)CC1 ZINC000069654480 388423520 /nfs/dbraw/zinc/42/35/20/388423520.db2.gz WBGSYGKNQDFOKK-UHFFFAOYSA-N 1 2 229.327 2.477 50 30 BEEALO C=C1CC[NH+](Cc2ccncc2F)CC1 ZINC000335589300 136102573 /nfs/dbraw/zinc/10/25/73/136102573.db2.gz IOPPVQBSXJFJLI-UHFFFAOYSA-N 1 2 206.264 2.373 50 30 BEEALO COC1=C/C(=C/C=C2\C=CC=C[N@@H+]2C)C=CC1=O ZINC000409415914 411198735 /nfs/dbraw/zinc/19/87/35/411198735.db2.gz GOQJDPSNBTVGNH-XTUZQTQMSA-N 1 2 241.290 2.481 50 30 BEEALO COC1=C/C(=C/C=C2\C=CC=C[N@H+]2C)C=CC1=O ZINC000409415914 411198737 /nfs/dbraw/zinc/19/87/37/411198737.db2.gz GOQJDPSNBTVGNH-XTUZQTQMSA-N 1 2 241.290 2.481 50 30 BEEALO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccn1 ZINC000023675595 176856311 /nfs/dbraw/zinc/85/63/11/176856311.db2.gz QJQHNLFTAFKISJ-NWDGAFQWSA-N 1 2 228.299 2.176 50 30 BEEALO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000027647176 177302455 /nfs/dbraw/zinc/30/24/55/177302455.db2.gz YBLQRKRUMLXLKN-WDEREUQCSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000027647176 177302456 /nfs/dbraw/zinc/30/24/56/177302456.db2.gz YBLQRKRUMLXLKN-WDEREUQCSA-N 1 2 248.301 2.307 50 30 BEEALO CCO/[NH+]=C1/CC(C)(C)Cc2nc(N)sc21 ZINC000005584164 342766712 /nfs/dbraw/zinc/76/67/12/342766712.db2.gz HOQDMDHFRAIQFJ-ZSOIEALJSA-N 1 2 239.344 2.438 50 30 BEEALO O/N=C1/c2ccccc2CC[C@H]1Cn1cc[nH+]c1 ZINC000012410502 384319935 /nfs/dbraw/zinc/31/99/35/384319935.db2.gz IEGDOABZYCYUKF-ZLUHGAPXSA-N 1 2 241.294 2.324 50 30 BEEALO CC(C)(C)c1cc(-c2c[nH]c[nH+]2)c(C#N)c(N)n1 ZINC000071714859 384407732 /nfs/dbraw/zinc/40/77/32/384407732.db2.gz SPJUYKBVVRAOKK-UHFFFAOYSA-N 1 2 241.298 2.223 50 30 BEEALO CC1(C)CC(=O)C(=C[NH+]=c2cc[nH]cc2)C(=O)C1 ZINC000100446496 384641718 /nfs/dbraw/zinc/64/17/18/384641718.db2.gz ZBQISKYQFYVPCA-UHFFFAOYSA-N 1 2 244.294 2.336 50 30 BEEALO CC1(C)CC(=O)C(=CNc2cc[nH+]cc2)C(=O)C1 ZINC000100446496 384641722 /nfs/dbraw/zinc/64/17/22/384641722.db2.gz ZBQISKYQFYVPCA-UHFFFAOYSA-N 1 2 244.294 2.336 50 30 BEEALO O/N=C1C(=C/c2ccco2)/[NH+]2CCC/1CC2 ZINC000100619613 387471638 /nfs/dbraw/zinc/47/16/38/387471638.db2.gz GDVIGVSHAWGESR-STZLXFPOSA-N 1 2 218.256 2.176 50 30 BEEALO COc1cc(C#N)ccc1-n1c[nH+]c(C)c1 ZINC000096179496 388811193 /nfs/dbraw/zinc/81/11/93/388811193.db2.gz PHDBCCIZTKTFGY-UHFFFAOYSA-N 1 2 213.240 2.061 50 30 BEEALO C=C(C)C[N@@H+](CC)Cc1nc(C2CC2)no1 ZINC000044995960 135227295 /nfs/dbraw/zinc/22/72/95/135227295.db2.gz KTQMCWYQYXSPME-UHFFFAOYSA-N 1 2 221.304 2.345 50 30 BEEALO C=C(C)C[N@H+](CC)Cc1nc(C2CC2)no1 ZINC000044995960 135227296 /nfs/dbraw/zinc/22/72/96/135227296.db2.gz KTQMCWYQYXSPME-UHFFFAOYSA-N 1 2 221.304 2.345 50 30 BEEALO C=CC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000055378880 166355467 /nfs/dbraw/zinc/35/54/67/166355467.db2.gz MAYNPMCHHRDYIQ-UHFFFAOYSA-N 1 2 230.355 2.033 50 30 BEEALO CCOC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004322683 170244496 /nfs/dbraw/zinc/24/44/96/170244496.db2.gz BEHSINYQCBMNSX-UHFFFAOYSA-N 1 2 242.662 2.133 50 30 BEEALO C[C@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000019509490 177260194 /nfs/dbraw/zinc/26/01/94/177260194.db2.gz OZBCDDASPPFWHK-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000019509488 177260364 /nfs/dbraw/zinc/26/03/64/177260364.db2.gz OZBCDDASPPFWHK-PHIMTYICSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000019509488 177260365 /nfs/dbraw/zinc/26/03/65/177260365.db2.gz OZBCDDASPPFWHK-PHIMTYICSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000027647158 177261186 /nfs/dbraw/zinc/26/11/86/177261186.db2.gz FYKRSLAGOGRQME-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000027647158 177261189 /nfs/dbraw/zinc/26/11/89/177261189.db2.gz FYKRSLAGOGRQME-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO CC(=NO)c1c(F)cccc1-n1cc[nH+]c1 ZINC000308858831 346926472 /nfs/dbraw/zinc/92/64/72/346926472.db2.gz ADWASHVEDCRJHB-UHFFFAOYSA-N 1 2 219.219 2.210 50 30 BEEALO C#Cc1cc(F)c(NCc2c[nH+]cn2C)c(F)c1 ZINC000253397847 345647849 /nfs/dbraw/zinc/64/78/49/345647849.db2.gz YBFXIKYORXCAGQ-UHFFFAOYSA-N 1 2 247.248 2.292 50 30 BEEALO C#CC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189783598 188080389 /nfs/dbraw/zinc/08/03/89/188080389.db2.gz XKKLQBDLSNIENK-LLVKDONJSA-N 1 2 206.314 2.222 50 30 BEEALO C#CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189783598 188080390 /nfs/dbraw/zinc/08/03/90/188080390.db2.gz XKKLQBDLSNIENK-LLVKDONJSA-N 1 2 206.314 2.222 50 30 BEEALO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCOC1 ZINC000170651319 181037734 /nfs/dbraw/zinc/03/77/34/181037734.db2.gz CTTTWAOZCVBBOW-GFCCVEGCSA-N 1 2 234.299 2.032 50 30 BEEALO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCOC1 ZINC000170651319 181037737 /nfs/dbraw/zinc/03/77/37/181037737.db2.gz CTTTWAOZCVBBOW-GFCCVEGCSA-N 1 2 234.299 2.032 50 30 BEEALO N#Cc1c(F)cccc1NCc1ccc(N)[nH+]c1 ZINC000302791124 181076436 /nfs/dbraw/zinc/07/64/36/181076436.db2.gz YPUJATMVXGCFCP-UHFFFAOYSA-N 1 2 242.257 2.287 50 30 BEEALO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)o1 ZINC000293953270 181103639 /nfs/dbraw/zinc/10/36/39/181103639.db2.gz IVHBFZKMUKYSSR-SECBINFHSA-N 1 2 208.236 2.085 50 30 BEEALO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)o1 ZINC000293953270 181103640 /nfs/dbraw/zinc/10/36/40/181103640.db2.gz IVHBFZKMUKYSSR-SECBINFHSA-N 1 2 208.236 2.085 50 30 BEEALO N#Cc1ccc(C[N@H+]2CCC[C@H]2CF)o1 ZINC000293953277 181104544 /nfs/dbraw/zinc/10/45/44/181104544.db2.gz IVHBFZKMUKYSSR-VIFPVBQESA-N 1 2 208.236 2.085 50 30 BEEALO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CF)o1 ZINC000293953277 181104545 /nfs/dbraw/zinc/10/45/45/181104545.db2.gz IVHBFZKMUKYSSR-VIFPVBQESA-N 1 2 208.236 2.085 50 30 BEEALO N#Cc1ccsc1NC(=O)C[NH+]1CCCCC1 ZINC000000127925 181160805 /nfs/dbraw/zinc/16/08/05/181160805.db2.gz ZZRFEQGCKWDTGB-UHFFFAOYSA-N 1 2 249.339 2.044 50 30 BEEALO CO/[NH+]=C1\CC(C)(C)Cc2nc(N)sc21 ZINC000005915114 384138367 /nfs/dbraw/zinc/13/83/67/384138367.db2.gz VIZUPJLQECPLFP-NTUHNPAUSA-N 1 2 225.317 2.048 50 30 BEEALO C[N+](C)(CCCC(=O)/C=N/O)Cc1ccccc1 ZINC000004589867 384456813 /nfs/dbraw/zinc/45/68/13/384456813.db2.gz VORKZPHXJDGBRZ-UHFFFAOYSA-O 1 2 249.334 2.072 50 30 BEEALO C=CCOc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019782535 384537069 /nfs/dbraw/zinc/53/70/69/384537069.db2.gz WYDXEBMKXWVZCT-UHFFFAOYSA-N 1 2 233.311 2.084 50 30 BEEALO CC[C@H](Cc1ccccc1)[N@H+](C)CC#N ZINC000096424579 385163374 /nfs/dbraw/zinc/16/33/74/385163374.db2.gz VBHVIUWJXSNLDX-CYBMUJFWSA-N 1 2 202.301 2.463 50 30 BEEALO CC[C@H](Cc1ccccc1)[N@@H+](C)CC#N ZINC000096424579 385163377 /nfs/dbraw/zinc/16/33/77/385163377.db2.gz VBHVIUWJXSNLDX-CYBMUJFWSA-N 1 2 202.301 2.463 50 30 BEEALO CC[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000229837042 387199538 /nfs/dbraw/zinc/19/95/38/387199538.db2.gz ACMPWWIZUVBOCS-NEPJUHHUSA-N 1 2 237.372 2.257 50 30 BEEALO CC[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000229837042 387199542 /nfs/dbraw/zinc/19/95/42/387199542.db2.gz ACMPWWIZUVBOCS-NEPJUHHUSA-N 1 2 237.372 2.257 50 30 BEEALO C=CCS[C@@H]1[NH2+]C(C)(C)C[C@]2(C)OCCN12 ZINC000019328319 388738227 /nfs/dbraw/zinc/73/82/27/388738227.db2.gz PBRZRVHQGPVTME-PWSUYJOCSA-N 1 2 242.388 2.010 50 30 BEEALO N#Cc1ccc(Oc2ccc(N)[nH+]c2)cc1 ZINC000019869109 388750001 /nfs/dbraw/zinc/75/00/01/388750001.db2.gz VKMBNLPFGSEIQJ-UHFFFAOYSA-N 1 2 211.224 2.328 50 30 BEEALO COc1ccc2[nH+]ccc(OCC#N)c2c1 ZINC000040227514 175230432 /nfs/dbraw/zinc/23/04/32/175230432.db2.gz UFXFHUYJPKNNNC-UHFFFAOYSA-N 1 2 214.224 2.146 50 30 BEEALO C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H](C)O1 ZINC000019508219 176307530 /nfs/dbraw/zinc/30/75/30/176307530.db2.gz BKGQCXMOQZPNQY-VXGBXAGGSA-N 1 2 230.311 2.167 50 30 BEEALO C[C@@H]1/C(=C/c2ccco2)C(=O)[C@@H](C)C[N@@H+]1C ZINC000035447221 177239870 /nfs/dbraw/zinc/23/98/70/177239870.db2.gz APPPFSHVPNUUPK-BYTJASKLSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@@H]1/C(=C/c2ccco2)C(=O)[C@@H](C)C[N@H+]1C ZINC000035447221 177239871 /nfs/dbraw/zinc/23/98/71/177239871.db2.gz APPPFSHVPNUUPK-BYTJASKLSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000027647182 177262454 /nfs/dbraw/zinc/26/24/54/177262454.db2.gz YBLQRKRUMLXLKN-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000027647182 177262455 /nfs/dbraw/zinc/26/24/55/177262455.db2.gz YBLQRKRUMLXLKN-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO C=CCN(Cc1[nH+]ccn1C)Cc1cccnc1 ZINC000065532345 518800150 /nfs/dbraw/zinc/80/01/50/518800150.db2.gz XQKGSMNVLMPYRP-UHFFFAOYSA-N 1 2 242.326 2.003 50 30 BEEALO CCOC(=O)C=C(C)[NH2+]Nc1ccccc1 ZINC000059508318 520432178 /nfs/dbraw/zinc/43/21/78/520432178.db2.gz APOGMIIQZNTEGK-JLHYYAGUSA-N 1 2 220.272 2.428 50 30 BEEALO N#CCC[N@@H+](Cc1cncc(F)c1)CC1CC1 ZINC000225614253 526459680 /nfs/dbraw/zinc/45/96/80/526459680.db2.gz NISPOWBTOZDMCV-UHFFFAOYSA-N 1 2 233.290 2.346 50 30 BEEALO N#CCC[N@H+](Cc1cncc(F)c1)CC1CC1 ZINC000225614253 526459686 /nfs/dbraw/zinc/45/96/86/526459686.db2.gz NISPOWBTOZDMCV-UHFFFAOYSA-N 1 2 233.290 2.346 50 30 BEEALO Cc1cc2[nH+]cn(C[C@H]3CO3)c2cc1C ZINC000019277821 178306310 /nfs/dbraw/zinc/30/63/10/178306310.db2.gz WEQAYQJLHNWZLQ-JTQLQIEISA-N 1 2 202.257 2.052 50 30 BEEALO CC([NH+]=c1[nH]c2ccccc2[nH]1)=C1CCOC1=O ZINC000005612736 342766999 /nfs/dbraw/zinc/76/69/99/342766999.db2.gz TXIJGUHNNCGKQE-PFMRQGHBSA-N 1 2 243.266 2.218 50 30 BEEALO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000030196541 343161031 /nfs/dbraw/zinc/16/10/31/343161031.db2.gz OVTDCMMOUYFNEB-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000030196541 343161034 /nfs/dbraw/zinc/16/10/34/343161034.db2.gz OVTDCMMOUYFNEB-UHFFFAOYSA-N 1 2 248.301 2.308 50 30 BEEALO C=CCCC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000244914783 187396222 /nfs/dbraw/zinc/39/62/22/187396222.db2.gz BDSYYCXLIDXSDQ-ZDUSSCGKSA-N 1 2 246.310 2.028 50 30 BEEALO N#CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000058626020 188086858 /nfs/dbraw/zinc/08/68/58/188086858.db2.gz RXNZSKNRKZFWDE-UHFFFAOYSA-N 1 2 207.183 2.228 50 30 BEEALO N#C[C@H](C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000054649313 181062556 /nfs/dbraw/zinc/06/25/56/181062556.db2.gz WDVXWMAPADDPET-AWEZNQCLSA-N 1 2 242.322 2.349 50 30 BEEALO O=C(C[NH+]1CCCCCC1)Nc1nncs1 ZINC000020534741 384622182 /nfs/dbraw/zinc/62/21/82/384622182.db2.gz FRYDBYVMCYLSNM-UHFFFAOYSA-N 1 2 240.332 2.002 50 30 BEEALO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC000023675589 384803712 /nfs/dbraw/zinc/80/37/12/384803712.db2.gz QJQHNLFTAFKISJ-RYUDHWBXSA-N 1 2 228.299 2.176 50 30 BEEALO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000038011562 388239893 /nfs/dbraw/zinc/23/98/93/388239893.db2.gz QACNKAWJEPQQEY-SNVBAGLBSA-N 1 2 240.310 2.441 50 30 BEEALO CC1(C)CC(=O)C=C(Nc2ccc[nH+]c2N)C1 ZINC000020445897 388769185 /nfs/dbraw/zinc/76/91/85/388769185.db2.gz IAFKJYCPKXQNIU-UHFFFAOYSA-N 1 2 231.299 2.349 50 30 BEEALO CN(C)/C=C/C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000001402335 172350002 /nfs/dbraw/zinc/35/00/02/172350002.db2.gz FXWWXRGTJRQUCF-VQHVLOKHSA-N 1 2 241.294 2.130 50 30 BEEALO C[C@H]1C[N@H+](C)[C@@H](C)/C(=C/c2ccco2)C1=O ZINC000013777863 177239906 /nfs/dbraw/zinc/23/99/06/177239906.db2.gz APPPFSHVPNUUPK-LUYHOPOFSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@H]1C[N@@H+](C)[C@@H](C)/C(=C/c2ccco2)C1=O ZINC000013777863 177239907 /nfs/dbraw/zinc/23/99/07/177239907.db2.gz APPPFSHVPNUUPK-LUYHOPOFSA-N 1 2 219.284 2.202 50 30 BEEALO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000034865712 177260954 /nfs/dbraw/zinc/26/09/54/177260954.db2.gz FYKRSLAGOGRQME-MNOVXSKESA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000034865712 177260955 /nfs/dbraw/zinc/26/09/55/177260955.db2.gz FYKRSLAGOGRQME-MNOVXSKESA-N 1 2 248.301 2.307 50 30 BEEALO CC(C)OCC(N)=[NH+]OCc1ccccc1F ZINC000049066274 490194523 /nfs/dbraw/zinc/19/45/23/490194523.db2.gz YHIZWWULTUUQJB-UHFFFAOYSA-N 1 2 240.278 2.040 50 30 BEEALO CC[NH+](CC)CC(=O)[C@@H](C#N)c1ccccc1 ZINC000004839887 342752981 /nfs/dbraw/zinc/75/29/81/342752981.db2.gz QNSCDWUUKIFBQH-ZDUSSCGKSA-N 1 2 230.311 2.205 50 30 BEEALO Cc1nnc(C)n1/[NH+]=C/C=C\c1ccco1 ZINC000004746452 180398791 /nfs/dbraw/zinc/39/87/91/180398791.db2.gz KGTBJYDTRLYHMO-OIVCMARKSA-N 1 2 216.244 2.035 50 30 BEEALO CC1(C)[NH2+]CC(c2ccccc2)=CC1=O ZINC000078558763 188136134 /nfs/dbraw/zinc/13/61/34/188136134.db2.gz AODSARSARRSARC-UHFFFAOYSA-N 1 2 201.269 2.021 50 30 BEEALO O/N=C1C(=C\c2ccco2)/[NH+]2CCC/1CC2 ZINC000000350852 383855934 /nfs/dbraw/zinc/85/59/34/383855934.db2.gz GDVIGVSHAWGESR-OWKCIBLPSA-N 1 2 218.256 2.176 50 30 BEEALO CC(C)(/C(=N\O)c1ccccc1)n1cc[nH+]c1 ZINC000005292469 384109544 /nfs/dbraw/zinc/10/95/44/384109544.db2.gz KHXOEINQXFOOHL-QINSGFPZSA-N 1 2 229.283 2.497 50 30 BEEALO C/C(=N\O)c1c(F)cccc1-n1cc[nH+]c1 ZINC000012505808 384322898 /nfs/dbraw/zinc/32/28/98/384322898.db2.gz ADWASHVEDCRJHB-RIYZIHGNSA-N 1 2 219.219 2.210 50 30 BEEALO CC[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000046437850 386617298 /nfs/dbraw/zinc/61/72/98/386617298.db2.gz AFHKKXIMAGETSK-UHFFFAOYSA-N 1 2 246.310 2.193 50 30 BEEALO CC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000046437850 386617306 /nfs/dbraw/zinc/61/73/06/386617306.db2.gz AFHKKXIMAGETSK-UHFFFAOYSA-N 1 2 246.310 2.193 50 30 BEEALO COc1ccc(/[NH+]=C2\NC[C@@H](C)S2)cc1 ZINC000000194622 175049420 /nfs/dbraw/zinc/04/94/20/175049420.db2.gz QKRSEPBFXYHLIO-MRVPVSSYSA-N 1 2 222.313 2.408 50 30 BEEALO CCO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000245239940 520226159 /nfs/dbraw/zinc/22/61/59/520226159.db2.gz HOQDMDHFRAIQFJ-UHFFFAOYSA-N 1 2 239.344 2.438 50 30 BEEALO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)no1 ZINC000048333708 343243094 /nfs/dbraw/zinc/24/30/94/343243094.db2.gz OIFNBBZIAOAZGL-UHFFFAOYSA-N 1 2 241.294 2.487 50 30 BEEALO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)no1 ZINC000048333708 343243096 /nfs/dbraw/zinc/24/30/96/343243096.db2.gz OIFNBBZIAOAZGL-UHFFFAOYSA-N 1 2 241.294 2.487 50 30 BEEALO C=CC[N@@H+](CCO)Cc1sccc1Cl ZINC000225623480 166341335 /nfs/dbraw/zinc/34/13/35/166341335.db2.gz DJNZIDDWQRWDNB-UHFFFAOYSA-N 1 2 231.748 2.382 50 30 BEEALO C=CC[N@H+](CCO)Cc1sccc1Cl ZINC000225623480 166341336 /nfs/dbraw/zinc/34/13/36/166341336.db2.gz DJNZIDDWQRWDNB-UHFFFAOYSA-N 1 2 231.748 2.382 50 30 BEEALO N#Cc1ccccc1OCCCn1cc[nH+]c1 ZINC000006700992 181149525 /nfs/dbraw/zinc/14/95/25/181149525.db2.gz ZDCBURXJWFACBM-UHFFFAOYSA-N 1 2 227.267 2.224 50 30 BEEALO C=Cn1cc(C[N@@H+](CCC#N)[C@@H](C)C2CC2)cn1 ZINC000225579984 371556577 /nfs/dbraw/zinc/55/65/77/371556577.db2.gz NTLRWTXDUZGIRH-LBPRGKRZSA-N 1 2 244.342 2.498 50 30 BEEALO C=Cn1cc(C[N@H+](CCC#N)[C@@H](C)C2CC2)cn1 ZINC000225579984 371556580 /nfs/dbraw/zinc/55/65/80/371556580.db2.gz NTLRWTXDUZGIRH-LBPRGKRZSA-N 1 2 244.342 2.498 50 30 BEEALO C=C(C)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000040004960 373085232 /nfs/dbraw/zinc/08/52/32/373085232.db2.gz KPUNSQUCBRAPFR-UHFFFAOYSA-N 1 2 236.384 2.442 50 30 BEEALO Oc1ccc(/C=N/NC2=[NH+]CCCCC2)cc1 ZINC000003170290 183266456 /nfs/dbraw/zinc/26/64/56/183266456.db2.gz HCDNHZJUSNQPBT-XNTDXEJSSA-N 1 2 231.299 2.288 50 30 BEEALO CC[C@@H](Cc1ccccc1)[N@H+](C)CC#N ZINC000096424578 385163583 /nfs/dbraw/zinc/16/35/83/385163583.db2.gz VBHVIUWJXSNLDX-ZDUSSCGKSA-N 1 2 202.301 2.463 50 30 BEEALO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC#N ZINC000096424578 385163586 /nfs/dbraw/zinc/16/35/86/385163586.db2.gz VBHVIUWJXSNLDX-ZDUSSCGKSA-N 1 2 202.301 2.463 50 30 BEEALO COc1ccccc1C[C@H]([NH2+]CC#N)C(C)C ZINC000097110983 175333862 /nfs/dbraw/zinc/33/38/62/175333862.db2.gz ITJWFSOEBILMKJ-ZDUSSCGKSA-N 1 2 232.327 2.375 50 30 BEEALO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000019509486 176301574 /nfs/dbraw/zinc/30/15/74/176301574.db2.gz OZBCDDASPPFWHK-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCOC1 ZINC000170651317 181037596 /nfs/dbraw/zinc/03/75/96/181037596.db2.gz CTTTWAOZCVBBOW-LBPRGKRZSA-N 1 2 234.299 2.032 50 30 BEEALO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCOC1 ZINC000170651317 181037598 /nfs/dbraw/zinc/03/75/98/181037598.db2.gz CTTTWAOZCVBBOW-LBPRGKRZSA-N 1 2 234.299 2.032 50 30 BEEALO Oc1ccccc1/C=N/NC1=[NH+]CCCCC1 ZINC000005574516 183300546 /nfs/dbraw/zinc/30/05/46/183300546.db2.gz ONWLHEBUBNCKHN-XNTDXEJSSA-N 1 2 231.299 2.288 50 30 BEEALO C[N+](C)(C)CCCCCCCCC(=O)/C=N/O ZINC000004672211 384062910 /nfs/dbraw/zinc/06/29/10/384062910.db2.gz OCYHGCKYDYHEHK-UHFFFAOYSA-O 1 2 243.371 2.452 50 30 BEEALO CC(C)[C@H](Nc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000285586123 384098668 /nfs/dbraw/zinc/09/86/68/384098668.db2.gz KUSOKAIYRDDXGT-LBPRGKRZSA-N 1 2 241.298 2.486 50 30 BEEALO CC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000009454073 388434355 /nfs/dbraw/zinc/43/43/55/388434355.db2.gz ZZBGMNOTKHMPNW-MDWZMJQESA-N 1 2 200.241 2.379 50 30 BEEALO CC(C)CCN(CCC#N)Cc1[nH+]ccn1C ZINC000072692492 166834434 /nfs/dbraw/zinc/83/44/34/166834434.db2.gz KTXCUDQKBNJACC-UHFFFAOYSA-N 1 2 234.347 2.182 50 30 BEEALO N#CCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000298419182 135199062 /nfs/dbraw/zinc/19/90/62/135199062.db2.gz FVJOTDBXEARSES-ZDUSSCGKSA-N 1 2 215.300 2.175 50 30 BEEALO N#CCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000298419182 135199064 /nfs/dbraw/zinc/19/90/64/135199064.db2.gz FVJOTDBXEARSES-ZDUSSCGKSA-N 1 2 215.300 2.175 50 30 BEEALO Fc1ccc(C#CCn2cc[nH+]c2)cc1 ZINC000157385528 323008540 /nfs/dbraw/zinc/00/85/40/323008540.db2.gz XYIJGHIFNJTTFT-UHFFFAOYSA-N 1 2 200.216 2.074 50 30 BEEALO C=Cn1cc(C[N@@H+](CCC#N)[C@H](C)C2CC2)cn1 ZINC000225579955 345222041 /nfs/dbraw/zinc/22/20/41/345222041.db2.gz NTLRWTXDUZGIRH-GFCCVEGCSA-N 1 2 244.342 2.498 50 30 BEEALO C=Cn1cc(C[N@H+](CCC#N)[C@H](C)C2CC2)cn1 ZINC000225579955 345222044 /nfs/dbraw/zinc/22/20/44/345222044.db2.gz NTLRWTXDUZGIRH-GFCCVEGCSA-N 1 2 244.342 2.498 50 30 BEEALO C=CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046059258 166354575 /nfs/dbraw/zinc/35/45/75/166354575.db2.gz SDWTWYJIEISTJW-CYBMUJFWSA-N 1 2 221.275 2.385 50 30 BEEALO C=CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000046059258 166354577 /nfs/dbraw/zinc/35/45/77/166354577.db2.gz SDWTWYJIEISTJW-CYBMUJFWSA-N 1 2 221.275 2.385 50 30 BEEALO CC[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000035216063 356392388 /nfs/dbraw/zinc/39/23/88/356392388.db2.gz DOJKLLMQYSHFIP-AWEZNQCLSA-N 1 2 230.311 2.169 50 30 BEEALO CC[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000035216063 356392392 /nfs/dbraw/zinc/39/23/92/356392392.db2.gz DOJKLLMQYSHFIP-AWEZNQCLSA-N 1 2 230.311 2.169 50 30 BEEALO CCCSc1nnc(/[NH+]=C/N(C)C)s1 ZINC000004401001 169341816 /nfs/dbraw/zinc/34/18/16/169341816.db2.gz KSQZQSOAQUGMQZ-RMKNXTFCSA-N 1 2 230.362 2.262 50 30 BEEALO CCO/[NH+]=C1\CC(C)(C)Cc2nc(N)sc21 ZINC000006709351 384164522 /nfs/dbraw/zinc/16/45/22/384164522.db2.gz HOQDMDHFRAIQFJ-RIYZIHGNSA-N 1 2 239.344 2.438 50 30 BEEALO CC[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000078947893 384473462 /nfs/dbraw/zinc/47/34/62/384473462.db2.gz ACMPWWIZUVBOCS-RYUDHWBXSA-N 1 2 237.372 2.257 50 30 BEEALO CC[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000078947893 384473469 /nfs/dbraw/zinc/47/34/69/384473469.db2.gz ACMPWWIZUVBOCS-RYUDHWBXSA-N 1 2 237.372 2.257 50 30 BEEALO C[NH+]=C(Nc1ccccc1)c1cccnc1 ZINC000050914225 384534460 /nfs/dbraw/zinc/53/44/60/384534460.db2.gz URFAUOPXIQMYFK-UHFFFAOYSA-N 1 2 211.268 2.379 50 30 BEEALO C=C(C)CSc1[nH+]cnc2c1cnn2C ZINC000071822389 388446101 /nfs/dbraw/zinc/44/61/01/388446101.db2.gz OXOUPLLNYZTALJ-UHFFFAOYSA-N 1 2 220.301 2.032 50 30 BEEALO N#CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000055505312 388422066 /nfs/dbraw/zinc/42/20/66/388422066.db2.gz IEHAEEIXKIFSHN-CYBMUJFWSA-N 1 2 200.285 2.217 50 30 BEEALO N#CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000055505312 388422073 /nfs/dbraw/zinc/42/20/73/388422073.db2.gz IEHAEEIXKIFSHN-CYBMUJFWSA-N 1 2 200.285 2.217 50 30 BEEALO Cc1c(-c2ccc(N(C)C)[nH+]c2)cc(C#N)n1C ZINC000426493182 388711294 /nfs/dbraw/zinc/71/12/94/388711294.db2.gz MMBPXTBJAZGLRS-UHFFFAOYSA-N 1 2 240.310 2.333 50 30 BEEALO N#CCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000298419178 135199194 /nfs/dbraw/zinc/19/91/94/135199194.db2.gz FVJOTDBXEARSES-CYBMUJFWSA-N 1 2 215.300 2.175 50 30 BEEALO N#CCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000298419178 135199195 /nfs/dbraw/zinc/19/91/95/135199195.db2.gz FVJOTDBXEARSES-CYBMUJFWSA-N 1 2 215.300 2.175 50 30 BEEALO CN(C)/C=[NH+]/c1nccc(-c2cccs2)n1 ZINC000100593113 172352384 /nfs/dbraw/zinc/35/23/84/172352384.db2.gz VTCFLZAVRDMBLY-MDWZMJQESA-N 1 2 232.312 2.427 50 30 BEEALO C[C@@H]1C[N@H+](C)[C@@H](C)/C(=C/c2ccco2)C1=O ZINC000019939636 177056483 /nfs/dbraw/zinc/05/64/83/177056483.db2.gz APPPFSHVPNUUPK-FLHAYEKASA-N 1 2 219.284 2.202 50 30 BEEALO C[C@@H]1C[N@@H+](C)[C@@H](C)/C(=C/c2ccco2)C1=O ZINC000019939636 177056485 /nfs/dbraw/zinc/05/64/85/177056485.db2.gz APPPFSHVPNUUPK-FLHAYEKASA-N 1 2 219.284 2.202 50 30 BEEALO N#Cc1ccc2[nH+]cc(/C=C/c3ccncn3)n2c1 ZINC000157334820 326268748 /nfs/dbraw/zinc/26/87/48/326268748.db2.gz ATQZTARFZTZDPW-NSCUHMNNSA-N 1 2 247.261 2.166 50 30 BEEALO C=C(Cl)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588358 518650659 /nfs/dbraw/zinc/65/06/59/518650659.db2.gz CPNNWRSUBQIRCH-LBPRGKRZSA-N 1 2 245.750 2.009 50 30 BEEALO C=C(Cl)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000328588358 518650661 /nfs/dbraw/zinc/65/06/61/518650661.db2.gz CPNNWRSUBQIRCH-LBPRGKRZSA-N 1 2 245.750 2.009 50 30 BEEALO COC1=C/C(=C/C=C2/C=CC=C[N@@H+]2C)C=CC1=O ZINC000409415913 585037031 /nfs/dbraw/zinc/03/70/31/585037031.db2.gz GOQJDPSNBTVGNH-IOAOBRTFSA-N 1 2 241.290 2.481 50 30 BEEALO COC1=C/C(=C/C=C2/C=CC=C[N@H+]2C)C=CC1=O ZINC000409415913 585037032 /nfs/dbraw/zinc/03/70/32/585037032.db2.gz GOQJDPSNBTVGNH-IOAOBRTFSA-N 1 2 241.290 2.481 50 30 BEEALO Cc1cc(N2CCCC2)c(C#N)c(C)[nH+]1 ZINC000095418986 178112813 /nfs/dbraw/zinc/11/28/13/178112813.db2.gz JXARUDCRNKKRDZ-UHFFFAOYSA-N 1 2 201.273 2.170 50 30 BEEALO C/C(=N\O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000005177836 342759665 /nfs/dbraw/zinc/75/96/65/342759665.db2.gz XHUOZYQEOZTAJF-UKTHLTGXSA-N 1 2 201.229 2.071 50 30 BEEALO CCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000072292466 343192238 /nfs/dbraw/zinc/19/22/38/343192238.db2.gz NTBSSVKXFXXBEY-CYBMUJFWSA-N 1 2 246.310 2.114 50 30 BEEALO CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000072292466 343192239 /nfs/dbraw/zinc/19/22/39/343192239.db2.gz NTBSSVKXFXXBEY-CYBMUJFWSA-N 1 2 246.310 2.114 50 30 BEEALO N#CCC[N@@H+](Cc1ccncc1)CC1CC1 ZINC000084615140 181037605 /nfs/dbraw/zinc/03/76/05/181037605.db2.gz GWKNNBMMGKQAHQ-UHFFFAOYSA-N 1 2 215.300 2.207 50 30 BEEALO N#CCC[N@H+](Cc1ccncc1)CC1CC1 ZINC000084615140 181037607 /nfs/dbraw/zinc/03/76/07/181037607.db2.gz GWKNNBMMGKQAHQ-UHFFFAOYSA-N 1 2 215.300 2.207 50 30 BEEALO N#Cc1c(F)cccc1NCCCn1cc[nH+]c1 ZINC000015954110 181075829 /nfs/dbraw/zinc/07/58/29/181075829.db2.gz ZJMLDNRAZWLIIK-UHFFFAOYSA-N 1 2 244.273 2.396 50 30 BEEALO CC[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccn1 ZINC000032578159 384292867 /nfs/dbraw/zinc/29/28/67/384292867.db2.gz USSBCXIBDBKOSG-GFCCVEGCSA-N 1 2 241.298 2.040 50 30 BEEALO C=CC[C@H](C#Cc1ccccc1)[NH+]1CCOCC1 ZINC000019805241 386785684 /nfs/dbraw/zinc/78/56/84/386785684.db2.gz KDRAQSNCXIUFGZ-MRXNPFEDSA-N 1 2 241.334 2.315 50 30 BEEALO C#CC[NH2+][C@H](C)c1nc(C2CCCC2)no1 ZINC000097374562 166192382 /nfs/dbraw/zinc/19/23/82/166192382.db2.gz LCDCZOOUKUUSSB-SECBINFHSA-N 1 2 219.288 2.011 50 30 BEEALO C=CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046059256 166358125 /nfs/dbraw/zinc/35/81/25/166358125.db2.gz SDWTWYJIEISTJW-ZDUSSCGKSA-N 1 2 221.275 2.385 50 30 BEEALO C=CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046059256 166358128 /nfs/dbraw/zinc/35/81/28/166358128.db2.gz SDWTWYJIEISTJW-ZDUSSCGKSA-N 1 2 221.275 2.385 50 30 BEEALO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000019441850 176302576 /nfs/dbraw/zinc/30/25/76/176302576.db2.gz JJLGZPOWFIPZHS-GHMZBOCLSA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000035216169 177262471 /nfs/dbraw/zinc/26/24/71/177262471.db2.gz YBLQRKRUMLXLKN-MNOVXSKESA-N 1 2 248.301 2.307 50 30 BEEALO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000035216169 177262473 /nfs/dbraw/zinc/26/24/73/177262473.db2.gz YBLQRKRUMLXLKN-MNOVXSKESA-N 1 2 248.301 2.307 50 30 BEEALO C[C@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000019441855 177262696 /nfs/dbraw/zinc/26/26/96/177262696.db2.gz JJLGZPOWFIPZHS-QWRGUYRKSA-N 1 2 248.301 2.307 50 30 BEEALO C/C(=N\CCCn1cc[nH+]c1)c1ccccc1O ZINC000146786914 518457164 /nfs/dbraw/zinc/45/71/64/518457164.db2.gz BGTHDSHMCWHVSX-FOWTUZBSSA-N 1 2 243.310 2.488 50 30 BEEALO ON=C1/C(=C/c2ccco2)[NH+]2CCC1CC2 ZINC000252460539 527643624 /nfs/dbraw/zinc/64/36/24/527643624.db2.gz GDVIGVSHAWGESR-QGBMQYPJSA-N 1 2 218.256 2.176 50 30 BEEALO