smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000054825857 345139210 /nfs/dbraw/zinc/13/92/10/345139210.db2.gz FDSNRSXJNRTDIB-WCBMZHEXSA-N 1 1 285.210 3.292 10 30 CGEEMO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1OC(F)F ZINC000061891024 369611199 /nfs/dbraw/zinc/61/11/99/369611199.db2.gz YHWJNWSBHFYQOE-NEPJUHHUSA-N 1 1 296.317 3.078 10 30 CGEEMO C=CCOc1cccc(C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000131344947 371100034 /nfs/dbraw/zinc/10/00/34/371100034.db2.gz OMMVZTIPNPNWBD-ZDUSSCGKSA-N 1 1 263.406 3.189 10 30 CGEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1C(C)(C)C#N ZINC000135228718 371403409 /nfs/dbraw/zinc/40/34/09/371403409.db2.gz WQGWNLZEJXXNDV-NVXWUHKLSA-N 1 1 297.446 3.156 10 30 CGEEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000228490307 376438466 /nfs/dbraw/zinc/43/84/66/376438466.db2.gz XCXNMLNADKPSQI-GBESFXJTSA-N 1 1 283.415 3.054 10 30 CGEEMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000245392291 376803734 /nfs/dbraw/zinc/80/37/34/376803734.db2.gz ARDDCQJZQJOFCB-DOTOQJQBSA-N 1 1 297.402 3.151 10 30 CGEEMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000246038942 376956914 /nfs/dbraw/zinc/95/69/14/376956914.db2.gz RINSGQXGHHMJER-ZFWWWQNUSA-N 1 1 294.464 3.212 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000333608127 542452389 /nfs/dbraw/zinc/45/23/89/542452389.db2.gz WFGVYOQNHUJOCP-HUUCEWRRSA-N 1 1 286.375 3.020 10 30 CGEEMO CC[N@H+]1CCC[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000062785363 392133170 /nfs/dbraw/zinc/13/31/70/392133170.db2.gz HCKHPPVNGZOGIA-ZDUSSCGKSA-N 1 1 263.772 3.108 10 30 CGEEMO N#CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161206268 261240319 /nfs/dbraw/zinc/24/03/19/261240319.db2.gz DSZBBNONJZCZLY-ZIAGYGMSSA-N 1 1 298.308 3.117 10 30 CGEEMO N#CCCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161206268 261240321 /nfs/dbraw/zinc/24/03/21/261240321.db2.gz DSZBBNONJZCZLY-ZIAGYGMSSA-N 1 1 298.308 3.117 10 30 CGEEMO C=C(C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161036927 264268644 /nfs/dbraw/zinc/26/86/44/264268644.db2.gz WTHPTTYOXHTFLK-UONOGXRCSA-N 1 1 285.309 3.389 10 30 CGEEMO C=C(C)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161036927 264268645 /nfs/dbraw/zinc/26/86/45/264268645.db2.gz WTHPTTYOXHTFLK-UONOGXRCSA-N 1 1 285.309 3.389 10 30 CGEEMO N#C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccco1 ZINC000036428144 344943916 /nfs/dbraw/zinc/94/39/16/344943916.db2.gz JFMBCYNWZGTFEG-GJZGRUSLSA-N 1 1 252.317 3.019 10 30 CGEEMO N#C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccco1 ZINC000036428144 344943917 /nfs/dbraw/zinc/94/39/17/344943917.db2.gz JFMBCYNWZGTFEG-GJZGRUSLSA-N 1 1 252.317 3.019 10 30 CGEEMO CC(C)(C)[N@H+]1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616599952 348841592 /nfs/dbraw/zinc/84/15/92/348841592.db2.gz ZNFKCTNMOVRENW-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO N#Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000616604142 348843098 /nfs/dbraw/zinc/84/30/98/348843098.db2.gz RAGZQKPRIVFQLX-SFHVURJKSA-N 1 1 278.355 3.132 10 30 CGEEMO N#Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000616604142 348843100 /nfs/dbraw/zinc/84/31/00/348843100.db2.gz RAGZQKPRIVFQLX-SFHVURJKSA-N 1 1 278.355 3.132 10 30 CGEEMO C[N@@H+](CCN(CC#N)C1CCCC1)Cc1ccc(F)cc1 ZINC000159766217 372177780 /nfs/dbraw/zinc/17/77/80/372177780.db2.gz CWHJGNIWMOYDQK-UHFFFAOYSA-N 1 1 289.398 3.026 10 30 CGEEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328666500 374375149 /nfs/dbraw/zinc/37/51/49/374375149.db2.gz KIVBJRKFZCPIIK-KGLIPLIRSA-N 1 1 295.427 3.107 10 30 CGEEMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000185612939 374699008 /nfs/dbraw/zinc/69/90/08/374699008.db2.gz CTPDIQHRIBTPAS-CABCVRRESA-N 1 1 289.423 3.211 10 30 CGEEMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000185612904 374699326 /nfs/dbraw/zinc/69/93/26/374699326.db2.gz CTPDIQHRIBTPAS-GJZGRUSLSA-N 1 1 289.423 3.211 10 30 CGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192008881 375688077 /nfs/dbraw/zinc/68/80/77/375688077.db2.gz JTORFNNADVYZFS-SFHVURJKSA-N 1 1 293.414 3.226 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000192105755 375699034 /nfs/dbraw/zinc/69/90/34/375699034.db2.gz RNCCXNKOOIIQHX-MRXNPFEDSA-N 1 1 284.338 3.148 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000192105755 375699040 /nfs/dbraw/zinc/69/90/40/375699040.db2.gz RNCCXNKOOIIQHX-MRXNPFEDSA-N 1 1 284.338 3.148 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641594 375900354 /nfs/dbraw/zinc/90/03/54/375900354.db2.gz VBSRGXFVVLLUFD-STQMWFEESA-N 1 1 297.358 3.138 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000246004537 376952822 /nfs/dbraw/zinc/95/28/22/376952822.db2.gz KFVHVOUATKKOFU-HZPDHXFCSA-N 1 1 282.343 3.022 10 30 CGEEMO C=C(Cl)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247008287 377140408 /nfs/dbraw/zinc/14/04/08/377140408.db2.gz LLVSGFBJZQSGMI-VXGBXAGGSA-N 1 1 271.813 3.389 10 30 CGEEMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247008287 377140414 /nfs/dbraw/zinc/14/04/14/377140414.db2.gz LLVSGFBJZQSGMI-VXGBXAGGSA-N 1 1 271.813 3.389 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000249272209 377484640 /nfs/dbraw/zinc/48/46/40/377484640.db2.gz KUAVKNBNBSMBTP-PBHICJAKSA-N 1 1 271.408 3.035 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)o1 ZINC000093868164 165338398 /nfs/dbraw/zinc/33/83/98/165338398.db2.gz MDEOKJFKJZCJGQ-MAUKXSAKSA-N 1 1 296.370 3.239 10 30 CGEEMO C=C[C@@H](CC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000179215986 329206009 /nfs/dbraw/zinc/20/60/09/329206009.db2.gz SJPUDIAFAVMEQP-INIZCTEOSA-N 1 1 298.430 3.043 10 30 CGEEMO CCCN[C@H](C#N)CC[N@@H+](C)C1CCC(CC)CC1 ZINC000062437785 520060315 /nfs/dbraw/zinc/06/03/15/520060315.db2.gz BHVJQEOMWWBIIW-PCKAHOCUSA-N 1 1 265.445 3.169 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000061891286 518196412 /nfs/dbraw/zinc/19/64/12/518196412.db2.gz DSQAAUFLIMKZCW-ZWNOBZJWSA-N 1 1 297.171 3.370 10 30 CGEEMO C[NH+](C)C[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492210 535954314 /nfs/dbraw/zinc/95/43/14/535954314.db2.gz WNQZDKWPMFKRHC-INIZCTEOSA-N 1 1 285.416 3.012 10 30 CGEEMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000120209846 536644242 /nfs/dbraw/zinc/64/42/42/536644242.db2.gz HVIXZAOHXUITRH-HNNXBMFYSA-N 1 1 282.343 3.497 10 30 CGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000120209846 536644249 /nfs/dbraw/zinc/64/42/49/536644249.db2.gz HVIXZAOHXUITRH-HNNXBMFYSA-N 1 1 282.343 3.497 10 30 CGEEMO CCCCCCC[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190735842 640265183 /nfs/dbraw/zinc/26/51/83/640265183.db2.gz AKYPOBUNMZAZSH-INIZCTEOSA-N 1 1 279.428 3.247 10 30 CGEEMO CCCCCCC[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190735842 640265188 /nfs/dbraw/zinc/26/51/88/640265188.db2.gz AKYPOBUNMZAZSH-INIZCTEOSA-N 1 1 279.428 3.247 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000126734237 187258487 /nfs/dbraw/zinc/25/84/87/187258487.db2.gz APCCYODSNQFKKY-AWEZNQCLSA-N 1 1 272.377 3.070 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000126734237 187258489 /nfs/dbraw/zinc/25/84/89/187258489.db2.gz APCCYODSNQFKKY-AWEZNQCLSA-N 1 1 272.377 3.070 10 30 CGEEMO C=C(C)[C@H]([NH2+]C)c1c(F)cccc1Br ZINC000165170530 346184164 /nfs/dbraw/zinc/18/41/64/346184164.db2.gz ZZYHKZKPVYWLDA-NSHDSACASA-N 1 1 258.134 3.425 10 30 CGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@H]1C#N ZINC000389858203 346573353 /nfs/dbraw/zinc/57/33/53/346573353.db2.gz DCGGZQMSNMPLSN-BVBHFADKSA-N 1 1 297.446 3.179 10 30 CGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@H]1C#N ZINC000389858203 346573358 /nfs/dbraw/zinc/57/33/58/346573358.db2.gz DCGGZQMSNMPLSN-BVBHFADKSA-N 1 1 297.446 3.179 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000610583141 348391137 /nfs/dbraw/zinc/39/11/37/348391137.db2.gz QTAXXKODHKGXQK-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc(C#N)c1 ZINC000610583141 348391139 /nfs/dbraw/zinc/39/11/39/348391139.db2.gz QTAXXKODHKGXQK-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cccc(C#N)c1 ZINC000610583141 348391141 /nfs/dbraw/zinc/39/11/41/348391141.db2.gz QTAXXKODHKGXQK-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CCC[N@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301408961 373773962 /nfs/dbraw/zinc/77/39/62/373773962.db2.gz WXQQCMZNRSALBA-UHFFFAOYSA-N 1 1 294.402 3.029 10 30 CGEEMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812998 392232320 /nfs/dbraw/zinc/23/23/20/392232320.db2.gz KCPLEOBVWJLUKO-HNNXBMFYSA-N 1 1 286.423 3.145 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000131413395 287379189 /nfs/dbraw/zinc/37/91/89/287379189.db2.gz WCQHJWVKINTXCX-CYBMUJFWSA-N 1 1 292.814 3.139 10 30 CGEEMO C=C(C)C[C@@H]([NH3+])c1cccc(Br)c1O ZINC000306864209 346458621 /nfs/dbraw/zinc/45/86/21/346458621.db2.gz KYEZJPKRSJKYNU-SNVBAGLBSA-N 1 1 256.143 3.121 10 30 CGEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000599465966 347746976 /nfs/dbraw/zinc/74/69/76/347746976.db2.gz WTUZENJZKJVHMZ-CMPLNLGQSA-N 1 1 283.297 3.272 10 30 CGEEMO N#Cc1cccc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000616663217 348859765 /nfs/dbraw/zinc/85/97/65/348859765.db2.gz MOBFGDVTAGMSFI-LJQANCHMSA-N 1 1 292.382 3.174 10 30 CGEEMO N#Cc1c(Cl)nsc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301412070 201000973 /nfs/dbraw/zinc/00/09/73/201000973.db2.gz YSLHYVWXLOCGCY-VIFPVBQESA-N 1 1 296.827 3.097 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000061891765 369610847 /nfs/dbraw/zinc/61/08/47/369610847.db2.gz LROPSNSHVZYUEG-KWQFWETISA-N 1 1 285.210 3.292 10 30 CGEEMO N#Cc1cnc(C[N@@H+]2CCCC3(CCCCC3)CC2)nc1 ZINC000333129356 205054686 /nfs/dbraw/zinc/05/46/86/205054686.db2.gz ASJZNFJDDANRPF-UHFFFAOYSA-N 1 1 284.407 3.285 10 30 CGEEMO N#Cc1cnc(C[N@H+]2CCCC3(CCCCC3)CC2)nc1 ZINC000333129356 205054691 /nfs/dbraw/zinc/05/46/91/205054691.db2.gz ASJZNFJDDANRPF-UHFFFAOYSA-N 1 1 284.407 3.285 10 30 CGEEMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000192028733 375690424 /nfs/dbraw/zinc/69/04/24/375690424.db2.gz RRDYRNMDSAJLCM-MRXNPFEDSA-N 1 1 251.329 3.468 10 30 CGEEMO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000245645802 376874430 /nfs/dbraw/zinc/87/44/30/376874430.db2.gz LMKYOQACXGXONT-JZXOWHBKSA-N 1 1 298.430 3.041 10 30 CGEEMO Cc1cnc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000329422289 542446977 /nfs/dbraw/zinc/44/69/77/542446977.db2.gz HLKWARQHGRKEKX-GXTWGEPZSA-N 1 1 291.395 3.408 10 30 CGEEMO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000336719433 335115273 /nfs/dbraw/zinc/11/52/73/335115273.db2.gz YFVKNTDNSRXNLF-KOLCDFICSA-N 1 1 252.408 3.252 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000312286631 333079483 /nfs/dbraw/zinc/07/94/83/333079483.db2.gz RQEXPQVDKJXJEQ-GXFFZTMASA-N 1 1 297.171 3.370 10 30 CGEEMO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccc(C#N)cc1 ZINC000054825658 525632521 /nfs/dbraw/zinc/63/25/21/525632521.db2.gz VFPOTIPPFSEIAZ-DAXOMENPSA-N 1 1 253.349 3.291 10 30 CGEEMO CCCCCCC[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000157992487 639996403 /nfs/dbraw/zinc/99/64/03/639996403.db2.gz BSVWDWPZWKQCDB-QGZVFWFLSA-N 1 1 293.455 3.171 10 30 CGEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390184182 346573742 /nfs/dbraw/zinc/57/37/42/346573742.db2.gz KXCOUMGIPHODLI-ZWKOTPCHSA-N 1 1 294.402 3.103 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583220 348391986 /nfs/dbraw/zinc/39/19/86/348391986.db2.gz TZMRNCKEHYEYCB-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610583220 348391987 /nfs/dbraw/zinc/39/19/87/348391987.db2.gz TZMRNCKEHYEYCB-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000610583220 348391988 /nfs/dbraw/zinc/39/19/88/348391988.db2.gz TZMRNCKEHYEYCB-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301797311 201204739 /nfs/dbraw/zinc/20/47/39/201204739.db2.gz UHZBFASIXLKRNY-OCCSQVGLSA-N 1 1 286.423 3.102 10 30 CGEEMO C=CC[N@@H+](CCC(C)=O)Cc1ccc(Cl)s1 ZINC000102670088 370308585 /nfs/dbraw/zinc/30/85/85/370308585.db2.gz WDFBOSWPEZSRHM-UHFFFAOYSA-N 1 1 257.786 3.369 10 30 CGEEMO C=CC[N@H+](CCC(C)=O)Cc1ccc(Cl)s1 ZINC000102670088 370308593 /nfs/dbraw/zinc/30/85/93/370308593.db2.gz WDFBOSWPEZSRHM-UHFFFAOYSA-N 1 1 257.786 3.369 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000155223569 371914255 /nfs/dbraw/zinc/91/42/55/371914255.db2.gz FALCZEYGVQFUNC-MAUKXSAKSA-N 1 1 285.435 3.329 10 30 CGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000155223569 371914267 /nfs/dbraw/zinc/91/42/67/371914267.db2.gz FALCZEYGVQFUNC-MAUKXSAKSA-N 1 1 285.435 3.329 10 30 CGEEMO C=CCCCCC[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000193578929 375894531 /nfs/dbraw/zinc/89/45/31/375894531.db2.gz ZUACEGMKAPSNCR-INIZCTEOSA-N 1 1 277.412 3.023 10 30 CGEEMO C=CCCCCC[N@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000193578929 375894536 /nfs/dbraw/zinc/89/45/36/375894536.db2.gz ZUACEGMKAPSNCR-INIZCTEOSA-N 1 1 277.412 3.023 10 30 CGEEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186251320 392780644 /nfs/dbraw/zinc/78/06/44/392780644.db2.gz UKBCKWYVCIIQNC-GOSISDBHSA-N 1 1 294.402 3.036 10 30 CGEEMO N#Cc1ccccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020358833 171158083 /nfs/dbraw/zinc/15/80/83/171158083.db2.gz CRMXAMKSRUCLBL-KRWDZBQOSA-N 1 1 277.371 3.245 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000086317694 260207567 /nfs/dbraw/zinc/20/75/67/260207567.db2.gz IJDNBFJMMGJUTE-UKRRQHHQSA-N 1 1 251.333 3.017 10 30 CGEEMO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825525 521371545 /nfs/dbraw/zinc/37/15/45/521371545.db2.gz CMOKZTWOOOJZKA-GDBMZVCRSA-N 1 1 258.365 3.257 10 30 CGEEMO Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c(C#N)c(C)n1 ZINC000156549262 525266743 /nfs/dbraw/zinc/26/67/43/525266743.db2.gz 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/nfs/dbraw/zinc/71/08/21/640710821.db2.gz YFSLDMCKYYTRDK-SJORKVTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000247145771 640710831 /nfs/dbraw/zinc/71/08/31/640710831.db2.gz YFSLDMCKYYTRDK-SJORKVTESA-N 1 1 284.488 3.124 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000054825856 345139331 /nfs/dbraw/zinc/13/93/31/345139331.db2.gz FDSNRSXJNRTDIB-SCZZXKLOSA-N 1 1 285.210 3.292 10 30 CGEEMO CCn1c2ccc(N)cc2[nH+]c1Cc1ccc(C#N)cc1 ZINC000138989066 346098339 /nfs/dbraw/zinc/09/83/39/346098339.db2.gz TVDLXHBSUIISND-UHFFFAOYSA-N 1 1 276.343 3.101 10 30 CGEEMO C[N@H+](CC#CCCC=O)CCc1ccc2ccccc2c1 ZINC000584636388 346701067 /nfs/dbraw/zinc/70/10/67/346701067.db2.gz VVRAMKRAYWEFNH-UHFFFAOYSA-N 1 1 279.383 3.297 10 30 CGEEMO Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1C#N ZINC000599264687 347730291 /nfs/dbraw/zinc/73/02/91/347730291.db2.gz PIYIHBVSHFSLRA-SJORKVTESA-N 1 1 270.376 3.010 10 30 CGEEMO Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1C#N ZINC000599264687 347730293 /nfs/dbraw/zinc/73/02/93/347730293.db2.gz PIYIHBVSHFSLRA-SJORKVTESA-N 1 1 270.376 3.010 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900882 138352988 /nfs/dbraw/zinc/35/29/88/138352988.db2.gz IBPKMIPKISDFRI-INIZCTEOSA-N 1 1 298.365 3.039 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900882 138352989 /nfs/dbraw/zinc/35/29/89/138352989.db2.gz IBPKMIPKISDFRI-INIZCTEOSA-N 1 1 298.365 3.039 10 30 CGEEMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000119923872 370723544 /nfs/dbraw/zinc/72/35/44/370723544.db2.gz WSLOMIQUZJODSY-LBPRGKRZSA-N 1 1 263.410 3.262 10 30 CGEEMO N#Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)c(F)c1 ZINC000051986692 369459904 /nfs/dbraw/zinc/45/99/04/369459904.db2.gz DSVSEYNFVSEUGQ-INIZCTEOSA-N 1 1 282.318 3.311 10 30 CGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(Cl)c1OC ZINC000061892198 369611125 /nfs/dbraw/zinc/61/11/25/369611125.db2.gz IRCKIPHRNKCRBH-DGCLKSJQSA-N 1 1 294.782 3.139 10 30 CGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)ccc1OC(C)C ZINC000061891672 369611231 /nfs/dbraw/zinc/61/12/31/369611231.db2.gz WHPKCHRPZBEFRM-LSDHHAIUSA-N 1 1 288.391 3.264 10 30 CGEEMO Cn1cc([C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000158396149 372068193 /nfs/dbraw/zinc/06/81/93/372068193.db2.gz XOPHLGNAQDGBJJ-QGZVFWFLSA-N 1 1 299.805 3.262 10 30 CGEEMO Cn1cc([C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000158396149 372068201 /nfs/dbraw/zinc/06/82/01/372068201.db2.gz XOPHLGNAQDGBJJ-QGZVFWFLSA-N 1 1 299.805 3.262 10 30 CGEEMO Cc1ccc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000158585377 372075021 /nfs/dbraw/zinc/07/50/21/372075021.db2.gz HCTDSLVYBFQPPD-OAHLLOKOSA-N 1 1 276.380 3.291 10 30 CGEEMO Cc1ccc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)o1 ZINC000158585377 372075027 /nfs/dbraw/zinc/07/50/27/372075027.db2.gz HCTDSLVYBFQPPD-OAHLLOKOSA-N 1 1 276.380 3.291 10 30 CGEEMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328713462 374377223 /nfs/dbraw/zinc/37/72/23/374377223.db2.gz RZTNDXUTJJLHJU-HOCLYGCPSA-N 1 1 298.390 3.197 10 30 CGEEMO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328713462 374377228 /nfs/dbraw/zinc/37/72/28/374377228.db2.gz RZTNDXUTJJLHJU-HOCLYGCPSA-N 1 1 298.390 3.197 10 30 CGEEMO C[C@@H](C#N)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000235487124 376641110 /nfs/dbraw/zinc/64/11/10/376641110.db2.gz RYZQMFFCMOJDNX-ZANVPECISA-N 1 1 279.181 3.186 10 30 CGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247336296 377195522 /nfs/dbraw/zinc/19/55/22/377195522.db2.gz FUYIDJAAXFNOOE-DYVFJYSZSA-N 1 1 280.375 3.190 10 30 CGEEMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247990737 377253433 /nfs/dbraw/zinc/25/34/33/377253433.db2.gz JAJRBDXDEUWBFQ-QZTJIDSGSA-N 1 1 298.430 3.316 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000049223554 392038989 /nfs/dbraw/zinc/03/89/89/392038989.db2.gz YKHSISOUWLEXQF-CYBMUJFWSA-N 1 1 297.324 3.473 10 30 CGEEMO C[C@H]1CCC[N@H+]1C1CCN(c2cccc(F)c2C#N)CC1 ZINC000154961152 392538745 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CCCN[C@@H](C#N)CC[N@@H+](C)C1CCC(CC)CC1 ZINC000062437787 519981186 /nfs/dbraw/zinc/98/11/86/519981186.db2.gz BHVJQEOMWWBIIW-HWOWSKLDSA-N 1 1 265.445 3.169 10 30 CGEEMO C=CCOc1ccccc1C[NH2+]CC(=C)Br ZINC000105453918 635832105 /nfs/dbraw/zinc/83/21/05/635832105.db2.gz WXHQJHBPKQLKAK-UHFFFAOYSA-N 1 1 282.181 3.250 10 30 CGEEMO CCCCCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000192000667 640343395 /nfs/dbraw/zinc/34/33/95/640343395.db2.gz QMEMVBHRMARHDD-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000192000667 640343400 /nfs/dbraw/zinc/34/34/00/640343400.db2.gz QMEMVBHRMARHDD-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000192000667 640343406 /nfs/dbraw/zinc/34/34/06/640343406.db2.gz QMEMVBHRMARHDD-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000126733995 187258996 /nfs/dbraw/zinc/25/89/96/187258996.db2.gz APCCYODSNQFKKY-CQSZACIVSA-N 1 1 272.377 3.070 10 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QTAXXKODHKGXQK-MSOLQXFVSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cccc(C#N)c1 ZINC000610583138 348391056 /nfs/dbraw/zinc/39/10/56/348391056.db2.gz QTAXXKODHKGXQK-MSOLQXFVSA-N 1 1 283.419 3.007 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000246061823 138529827 /nfs/dbraw/zinc/52/98/27/138529827.db2.gz RHRYCUIKNXNMQF-HZPDHXFCSA-N 1 1 298.411 3.490 10 30 CGEEMO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061892088 369611086 /nfs/dbraw/zinc/61/10/86/369611086.db2.gz CJDVZELHVMLSMC-GOEBONIOSA-N 1 1 258.365 3.256 10 30 CGEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncccn1 ZINC000072423980 369818833 /nfs/dbraw/zinc/81/88/33/369818833.db2.gz YAYYEQOIBDNFRK-BBWFWOEESA-N 1 1 299.418 3.088 10 30 CGEEMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000131033060 371078533 /nfs/dbraw/zinc/07/85/33/371078533.db2.gz NYUAOKDQBCVUFB-HUUCEWRRSA-N 1 1 263.381 3.442 10 30 CGEEMO CCCCCCC[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000157750244 372036577 /nfs/dbraw/zinc/03/65/77/372036577.db2.gz OGMZCCHOEDZPTR-OAHLLOKOSA-N 1 1 278.444 3.448 10 30 CGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247046193 377147902 /nfs/dbraw/zinc/14/79/02/377147902.db2.gz OGSPJZYXGLPXHH-CABCVRRESA-N 1 1 288.391 3.006 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249407256 377499437 /nfs/dbraw/zinc/49/94/37/377499437.db2.gz WYJMPFMOSJBANW-JLSDUUJJSA-N 1 1 284.403 3.246 10 30 CGEEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000092788143 165313512 /nfs/dbraw/zinc/31/35/12/165313512.db2.gz OERKEPIUQVPVRX-GFCCVEGCSA-N 1 1 287.388 3.296 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000156007660 260777717 /nfs/dbraw/zinc/77/77/17/260777717.db2.gz WWUMTNWNFNUGGF-CHWSQXEVSA-N 1 1 250.292 3.406 10 30 CGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032461 274276371 /nfs/dbraw/zinc/27/63/71/274276371.db2.gz WSFSWAWRDBOXCM-ZDUSSCGKSA-N 1 1 277.371 3.260 10 30 CGEEMO CCCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000100056531 937225697 /nfs/dbraw/zinc/22/56/97/937225697.db2.gz PFKRGEQOTJFQEN-UHFFFAOYSA-N 1 1 276.424 3.205 10 30 CGEEMO CCCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000100056531 937225700 /nfs/dbraw/zinc/22/57/00/937225700.db2.gz PFKRGEQOTJFQEN-UHFFFAOYSA-N 1 1 276.424 3.205 10 30 CGEEMO N#C[C@@H]1CCCC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380901896 346557707 /nfs/dbraw/zinc/55/77/07/346557707.db2.gz RWBXJZGYGQVVHR-GBESFXJTSA-N 1 1 297.446 3.323 10 30 CGEEMO N#C[C@@H]1CCCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380901896 346557709 /nfs/dbraw/zinc/55/77/09/346557709.db2.gz RWBXJZGYGQVVHR-GBESFXJTSA-N 1 1 297.446 3.323 10 30 CGEEMO C=CCC[C@H](O)C[N@H+](CCCOC)Cc1ccc(C)cc1 ZINC000036094995 369006604 /nfs/dbraw/zinc/00/66/04/369006604.db2.gz IBFJBTKMWRVVOX-SFHVURJKSA-N 1 1 291.435 3.161 10 30 CGEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1OC(F)F ZINC000061891025 369610963 /nfs/dbraw/zinc/61/09/63/369610963.db2.gz YHWJNWSBHFYQOE-NWDGAFQWSA-N 1 1 296.317 3.078 10 30 CGEEMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000131346676 371100376 /nfs/dbraw/zinc/10/03/76/371100376.db2.gz RWGQOHMJIVKLRS-AWEZNQCLSA-N 1 1 290.432 3.306 10 30 CGEEMO C[C@@H]1CCC[N@H+]1C1CCN(c2cccc(F)c2C#N)CC1 ZINC000154961051 371893732 /nfs/dbraw/zinc/89/37/32/371893732.db2.gz LLEKFEJTOVXCOL-CYBMUJFWSA-N 1 1 287.382 3.150 10 30 CGEEMO CC#CCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000156792821 371995059 /nfs/dbraw/zinc/99/50/59/371995059.db2.gz WPERHZMZIKGNIX-MRXNPFEDSA-N 1 1 273.351 3.276 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187686835 375073396 /nfs/dbraw/zinc/07/33/96/375073396.db2.gz KUAVKNBNBSMBTP-YOEHRIQHSA-N 1 1 271.408 3.035 10 30 CGEEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000193640686 375900601 /nfs/dbraw/zinc/90/06/01/375900601.db2.gz OGMWGLFAUQYVTH-CHWSQXEVSA-N 1 1 297.358 3.138 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000174851234 392647318 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CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000232531713 333338287 /nfs/dbraw/zinc/33/82/87/333338287.db2.gz LJPFWGWDFKUGNC-WBVHZDCISA-N 1 1 278.440 3.333 10 30 CGEEMO CC1(C)Cc2cc(C[NH2+][C@@H]3CCC[C@H]3C#N)ccc2O1 ZINC000071170411 625061868 /nfs/dbraw/zinc/06/18/68/625061868.db2.gz UCUUHJZLKZTZQS-DZGCQCFKSA-N 1 1 270.376 3.182 10 30 CGEEMO CCC[N@H+]1CCCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000078251313 345596168 /nfs/dbraw/zinc/59/61/68/345596168.db2.gz TVLDICDACWLXNS-UHFFFAOYSA-N 1 1 294.402 3.029 10 30 CGEEMO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885363 346323749 /nfs/dbraw/zinc/32/37/49/346323749.db2.gz LFJKTVOTPNIMRI-GXTWGEPZSA-N 1 1 273.336 3.075 10 30 CGEEMO CC[N@H+]1CC[C@@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633492 346699719 /nfs/dbraw/zinc/69/97/19/346699719.db2.gz NDMOYDOOJSHJCQ-RTBURBONSA-N 1 1 291.398 3.233 10 30 CGEEMO CC(C)(C)[N@H+]1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616650102 348855608 /nfs/dbraw/zinc/85/56/08/348855608.db2.gz 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N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000093868165 165338303 /nfs/dbraw/zinc/33/83/03/165338303.db2.gz MDEOKJFKJZCJGQ-YJBOKZPZSA-N 1 1 296.370 3.239 10 30 CGEEMO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1 ZINC000180035633 264390213 /nfs/dbraw/zinc/39/02/13/264390213.db2.gz AGLVKCIVWOGGFA-MRXNPFEDSA-N 1 1 296.418 3.490 10 30 CGEEMO C#CCCOc1ccc(C[N@H+]2CCS[C@H](C)C2)cc1 ZINC000131379460 636647351 /nfs/dbraw/zinc/64/73/51/636647351.db2.gz VLDBLADTXXMZBJ-CQSZACIVSA-N 1 1 275.417 3.026 10 30 CGEEMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)o1 ZINC000886077528 637401114 /nfs/dbraw/zinc/40/11/14/637401114.db2.gz FKQFGRPVPZOOEQ-LRDDRELGSA-N 1 1 296.374 3.018 10 30 CGEEMO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891666 345236285 /nfs/dbraw/zinc/23/62/85/345236285.db2.gz BFROKQXZPFKCTM-GDBMZVCRSA-N 1 1 258.365 3.257 10 30 CGEEMO CC[N@H+]1CC[C@H]([C@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633491 346699693 /nfs/dbraw/zinc/69/96/93/346699693.db2.gz 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Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192008887 375688719 /nfs/dbraw/zinc/68/87/19/375688719.db2.gz JTORFNNADVYZFS-GOSISDBHSA-N 1 1 293.414 3.226 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)o1 ZINC000193640701 375901559 /nfs/dbraw/zinc/90/15/59/375901559.db2.gz OGMWGLFAUQYVTH-QWHCGFSZSA-N 1 1 297.358 3.138 10 30 CGEEMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000245398420 376805716 /nfs/dbraw/zinc/80/57/16/376805716.db2.gz SOKUBVRAZYQGAB-NVXWUHKLSA-N 1 1 297.402 3.151 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000156007761 392545231 /nfs/dbraw/zinc/54/52/31/392545231.db2.gz WWUMTNWNFNUGGF-OLZOCXBDSA-N 1 1 250.292 3.406 10 30 CGEEMO C=C(Br)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000364727795 260159843 /nfs/dbraw/zinc/15/98/43/260159843.db2.gz OXGLQMFFMIQDOA-ZDUSSCGKSA-N 1 1 281.197 3.081 10 30 CGEEMO C=C(Br)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000364727795 260159845 /nfs/dbraw/zinc/15/98/45/260159845.db2.gz OXGLQMFFMIQDOA-ZDUSSCGKSA-N 1 1 281.197 3.081 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626628 274916842 /nfs/dbraw/zinc/91/68/42/274916842.db2.gz XAGGLINXXWFZAW-GXFFZTMASA-N 1 1 268.282 3.487 10 30 CGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174851135 329163941 /nfs/dbraw/zinc/16/39/41/329163941.db2.gz OJPXKWOBWZHTGZ-HNNXBMFYSA-N 1 1 288.439 3.412 10 30 CGEEMO C[N@H+]1CCC[C@H]1CCOc1cccc(Cl)c1C#N ZINC000052909151 523850627 /nfs/dbraw/zinc/85/06/27/523850627.db2.gz JYNFJTURPDRNPS-NSHDSACASA-N 1 1 264.756 3.075 10 30 CGEEMO CCC[N@@H+](CCCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC000038439448 344955446 /nfs/dbraw/zinc/95/54/46/344955446.db2.gz PLWMDFQAPMAHKM-CQSZACIVSA-N 1 1 288.391 3.014 10 30 CGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000165468633 346184569 /nfs/dbraw/zinc/18/45/69/346184569.db2.gz CEXKZAGHGJJURP-DLBZAZTESA-N 1 1 270.376 3.010 10 30 CGEEMO C=C(C)C[C@H]([NH3+])c1cccc(Br)c1O ZINC000306864208 346458644 /nfs/dbraw/zinc/45/86/44/346458644.db2.gz KYEZJPKRSJKYNU-JTQLQIEISA-N 1 1 256.143 3.121 10 30 CGEEMO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000309539125 346469587 /nfs/dbraw/zinc/46/95/87/346469587.db2.gz KGMIJMIKOGTRDO-PKOBYXMFSA-N 1 1 297.446 3.323 10 30 CGEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390184178 346573491 /nfs/dbraw/zinc/57/34/91/346573491.db2.gz KXCOUMGIPHODLI-QZTJIDSGSA-N 1 1 294.402 3.103 10 30 CGEEMO C[N@H+]1CCN(c2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000020076290 136580328 /nfs/dbraw/zinc/58/03/28/136580328.db2.gz IYEUXPGTIQQXET-GOSISDBHSA-N 1 1 277.371 3.051 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC23CCCC3)cc1 ZINC000364863418 234066450 /nfs/dbraw/zinc/06/64/50/234066450.db2.gz KMQWQTDTEIIHAE-MRXNPFEDSA-N 1 1 270.376 3.000 10 30 CGEEMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599369 138535792 /nfs/dbraw/zinc/53/57/92/138535792.db2.gz MMQXKNXPMKYQPI-IAGOWNOFSA-N 1 1 296.370 3.239 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000061891763 369610898 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N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000367935185 382360175 /nfs/dbraw/zinc/36/01/75/382360175.db2.gz WBIQARDMKLCTBR-GOSISDBHSA-N 1 1 296.345 3.137 10 30 CGEEMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000367935185 382360179 /nfs/dbraw/zinc/36/01/79/382360179.db2.gz WBIQARDMKLCTBR-GOSISDBHSA-N 1 1 296.345 3.137 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160933917 262305158 /nfs/dbraw/zinc/30/51/58/262305158.db2.gz FIFFMLHYIUVZLA-GXFFZTMASA-N 1 1 252.720 3.261 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000246403161 393057948 /nfs/dbraw/zinc/05/79/48/393057948.db2.gz PKTWQXFABGTYHM-CRAIPNDOSA-N 1 1 294.402 3.461 10 30 CGEEMO CC#CC[NH2+][C@H](C)c1ccccc1Br ZINC000088162653 260278670 /nfs/dbraw/zinc/27/86/70/260278670.db2.gz QKPAONOKZIUAEM-SNVBAGLBSA-N 1 1 252.155 3.123 10 30 CGEEMO C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656159 335109842 /nfs/dbraw/zinc/10/98/42/335109842.db2.gz 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C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000249093053 377460297 /nfs/dbraw/zinc/46/02/97/377460297.db2.gz DUXCOVRXKHKESB-RDTXWAMCSA-N 1 1 293.370 3.168 10 30 CGEEMO C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390870016 542612301 /nfs/dbraw/zinc/61/23/01/542612301.db2.gz JBQWBEHTLCEETF-AYHJJNSGSA-N 1 1 270.420 3.348 10 30 CGEEMO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3C#N)c2O1 ZINC000080509210 260180891 /nfs/dbraw/zinc/18/08/91/260180891.db2.gz ZEXRQOVHWOKURC-UKRRQHHQSA-N 1 1 270.376 3.182 10 30 CGEEMO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061892727 262406133 /nfs/dbraw/zinc/40/61/33/262406133.db2.gz SFVTYFRJUCKFHH-GOEBONIOSA-N 1 1 258.365 3.256 10 30 CGEEMO C#CC(C)(C)[NH2+]Cc1sccc1Br ZINC000069680927 345383653 /nfs/dbraw/zinc/38/36/53/345383653.db2.gz GPQKGBFENKRILB-UHFFFAOYSA-N 1 1 258.184 3.012 10 30 CGEEMO COc1cc(Nc2[nH]c3ccccc3[nH+]2)ccc1C#N ZINC000150254072 346133284 /nfs/dbraw/zinc/13/32/84/346133284.db2.gz RWETYZXMJBDXDA-UHFFFAOYSA-N 1 1 264.288 3.187 10 30 CGEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390184177 346573182 /nfs/dbraw/zinc/57/31/82/346573182.db2.gz KXCOUMGIPHODLI-MSOLQXFVSA-N 1 1 294.402 3.103 10 30 CGEEMO CCCCCCCC[N@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640021 346702165 /nfs/dbraw/zinc/70/21/65/346702165.db2.gz CMZVBDIZJOBXPR-INIZCTEOSA-N 1 1 295.471 3.179 10 30 CGEEMO CCCCCCCCNc1ccc2[nH+]c(N)nc(N)c2c1 ZINC000584623070 346696315 /nfs/dbraw/zinc/69/63/15/346696315.db2.gz CHJXEHGYQCAIJU-UHFFFAOYSA-N 1 1 287.411 3.227 10 30 CGEEMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000128544999 187377542 /nfs/dbraw/zinc/37/75/42/187377542.db2.gz MSSPBPBIJIGNSR-ZDUSSCGKSA-N 1 1 296.370 3.426 10 30 CGEEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1ccccc1C#N ZINC000616596784 348840320 /nfs/dbraw/zinc/84/03/20/348840320.db2.gz HGRWXCKDVGGFOF-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616599402 348841625 /nfs/dbraw/zinc/84/16/25/348841625.db2.gz YSCYPWGKTKFRSO-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO C=CCC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000126518252 370945470 /nfs/dbraw/zinc/94/54/70/370945470.db2.gz AZMKJZANMZEXCD-IAGOWNOFSA-N 1 1 289.419 3.166 10 30 CGEEMO CCOC(CCC/[NH+]=C/c1ccc2c(c1)OCO2)OCC ZINC000038274293 369146291 /nfs/dbraw/zinc/14/62/91/369146291.db2.gz YOISJQHWGSIMQO-GZTJUZNOSA-N 1 1 293.363 3.014 10 30 CGEEMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000300187896 261181308 /nfs/dbraw/zinc/18/13/08/261181308.db2.gz LJPFWGWDFKUGNC-RDJZCZTQSA-N 1 1 278.440 3.333 10 30 CGEEMO CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061892087 369610891 /nfs/dbraw/zinc/61/08/91/369610891.db2.gz CJDVZELHVMLSMC-ZBFHGGJFSA-N 1 1 258.365 3.256 10 30 CGEEMO CCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061892699 369611036 /nfs/dbraw/zinc/61/10/36/369611036.db2.gz AHUHGZBNIHFVDV-ZBFHGGJFSA-N 1 1 258.365 3.257 10 30 CGEEMO Cn1cc([C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000158395986 372067563 /nfs/dbraw/zinc/06/75/63/372067563.db2.gz XOPHLGNAQDGBJJ-KRWDZBQOSA-N 1 1 299.805 3.262 10 30 CGEEMO Cn1cc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1 ZINC000158395986 372067568 /nfs/dbraw/zinc/06/75/68/372067568.db2.gz XOPHLGNAQDGBJJ-KRWDZBQOSA-N 1 1 299.805 3.262 10 30 CGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000171613275 372796062 /nfs/dbraw/zinc/79/60/62/372796062.db2.gz LRHWHNKAPZGEAP-QGZVFWFLSA-N 1 1 294.402 3.154 10 30 CGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000171613469 372796215 /nfs/dbraw/zinc/79/62/15/372796215.db2.gz HBELICOODZNNHJ-QGZVFWFLSA-N 1 1 294.402 3.154 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000192105759 375698301 /nfs/dbraw/zinc/69/83/01/375698301.db2.gz RNCCXNKOOIIQHX-INIZCTEOSA-N 1 1 284.338 3.148 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000192105759 375698312 /nfs/dbraw/zinc/69/83/12/375698312.db2.gz RNCCXNKOOIIQHX-INIZCTEOSA-N 1 1 284.338 3.148 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000193338148 375864071 /nfs/dbraw/zinc/86/40/71/375864071.db2.gz VRFNIJDRWZCZMB-KRWDZBQOSA-N 1 1 290.455 3.353 10 30 CGEEMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000253096871 377675888 /nfs/dbraw/zinc/67/58/88/377675888.db2.gz QWYCXCFNLYQXFB-RCCFBDPRSA-N 1 1 284.403 3.074 10 30 CGEEMO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000253101242 285312434 /nfs/dbraw/zinc/31/24/34/285312434.db2.gz XCXNMLNADKPSQI-GUDVDZBRSA-N 1 1 283.415 3.054 10 30 CGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247927096 393082600 /nfs/dbraw/zinc/08/26/00/393082600.db2.gz BRLMTXQAJKRLQF-OLMNPRSZSA-N 1 1 284.403 3.246 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C#N)c(Cl)c1 ZINC000092631276 165305122 /nfs/dbraw/zinc/30/51/22/165305122.db2.gz ICTAKZUSBVKGNN-AWEZNQCLSA-N 1 1 277.799 3.132 10 30 CGEEMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000009998159 170393927 /nfs/dbraw/zinc/39/39/27/170393927.db2.gz QOUVFMDJMJRGDT-BETUJISGSA-N 1 1 256.349 3.004 10 30 CGEEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)c1ccc(C#N)cc1 ZINC000009998159 170393929 /nfs/dbraw/zinc/39/39/29/170393929.db2.gz QOUVFMDJMJRGDT-BETUJISGSA-N 1 1 256.349 3.004 10 30 CGEEMO COc1cccc(C=NNc2cc(C)[nH+]c3ccccc23)c1 ZINC000038889779 174158960 /nfs/dbraw/zinc/15/89/60/174158960.db2.gz DFNHHKAQOQLGNW-XDHOZWIPSA-N 1 1 291.354 3.420 10 30 CGEEMO N#CCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161206161 261240537 /nfs/dbraw/zinc/24/05/37/261240537.db2.gz DSZBBNONJZCZLY-KGLIPLIRSA-N 1 1 298.308 3.117 10 30 CGEEMO N#CCCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161206161 261240538 /nfs/dbraw/zinc/24/05/38/261240538.db2.gz DSZBBNONJZCZLY-KGLIPLIRSA-N 1 1 298.308 3.117 10 30 CGEEMO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000177120519 261335658 /nfs/dbraw/zinc/33/56/58/261335658.db2.gz WRFZKQNHZVEPLY-LBPRGKRZSA-N 1 1 299.361 3.494 10 30 CGEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000177120519 261335660 /nfs/dbraw/zinc/33/56/60/261335660.db2.gz WRFZKQNHZVEPLY-LBPRGKRZSA-N 1 1 299.361 3.494 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150142937 327208343 /nfs/dbraw/zinc/20/83/43/327208343.db2.gz UWRAYWBOVIFHHX-QWHCGFSZSA-N 1 1 250.292 3.406 10 30 CGEEMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1ccc(C#N)cc1 ZINC000164968568 622852396 /nfs/dbraw/zinc/85/23/96/622852396.db2.gz GZEJSUQQIACGSO-NSHDSACASA-N 1 1 270.307 3.254 10 30 CGEEMO C#C[C@@H]([NH2+]CC)c1c(C)cccc1Br ZINC000306730764 346457462 /nfs/dbraw/zinc/45/74/62/346457462.db2.gz PVSWUBKMCVFZEU-LLVKDONJSA-N 1 1 252.155 3.041 10 30 CGEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000309539123 346469309 /nfs/dbraw/zinc/46/93/09/346469309.db2.gz KGMIJMIKOGTRDO-MJGOQNOKSA-N 1 1 297.446 3.323 10 30 CGEEMO CCC[N@@H+](CCCC#N)[C@@H]1CCc2c(O)cccc2C1 ZINC000027998013 368879711 /nfs/dbraw/zinc/87/97/11/368879711.db2.gz FOHUHYKENVAVAP-OAHLLOKOSA-N 1 1 272.392 3.265 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249407252 377498358 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CC#CC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127730820 264263031 /nfs/dbraw/zinc/26/30/31/264263031.db2.gz ZJIKYAFQAMBKIO-ZDUSSCGKSA-N 1 1 262.422 3.469 10 30 CGEEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C12CCCC2 ZINC000174172963 329155016 /nfs/dbraw/zinc/15/50/16/329155016.db2.gz OAJMNFNOQUUAPO-HUUCEWRRSA-N 1 1 296.480 3.303 10 30 CGEEMO C=CC[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000188814490 329373562 /nfs/dbraw/zinc/37/35/62/329373562.db2.gz ZMQLAKBPJJHMMD-GOSISDBHSA-N 1 1 298.430 3.043 10 30 CGEEMO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000336719432 335115226 /nfs/dbraw/zinc/11/52/26/335115226.db2.gz YFVKNTDNSRXNLF-GXSJLCMTSA-N 1 1 252.408 3.252 10 30 CGEEMO CCCCCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158993094 640027040 /nfs/dbraw/zinc/02/70/40/640027040.db2.gz DFCMWROPKFUTNJ-LSDHHAIUSA-N 1 1 268.445 3.192 10 30 CGEEMO CCCCCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246806786 640694237 /nfs/dbraw/zinc/69/42/37/640694237.db2.gz DFCMWROPKFUTNJ-HUUCEWRRSA-N 1 1 268.445 3.192 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390184180 346573766 /nfs/dbraw/zinc/57/37/66/346573766.db2.gz KXCOUMGIPHODLI-ROUUACIJSA-N 1 1 294.402 3.103 10 30 CGEEMO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000619535010 349257923 /nfs/dbraw/zinc/25/79/23/349257923.db2.gz WQCCIAMDIKZFOF-AYHJJNSGSA-N 1 1 295.430 3.075 10 30 CGEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000178336304 189108377 /nfs/dbraw/zinc/10/83/77/189108377.db2.gz KMSGWRWYKRPQSE-KBXCAEBGSA-N 1 1 294.402 3.289 10 30 CGEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000124986321 370929308 /nfs/dbraw/zinc/92/93/08/370929308.db2.gz RINSGQXGHHMJER-DZGCQCFKSA-N 1 1 294.464 3.212 10 30 CGEEMO ON=C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034963818 368983791 /nfs/dbraw/zinc/98/37/91/368983791.db2.gz NEYZGNHKERNXME-UHFFFAOYSA-N 1 1 272.270 3.131 10 30 CGEEMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1C#N ZINC000135191704 371400216 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268.445 3.192 10 30 CGEEMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(OC)c2)no1 ZINC000066560075 345300366 /nfs/dbraw/zinc/30/03/66/345300366.db2.gz RDCYMXMKKNCROJ-UHFFFAOYSA-N 1 1 287.363 3.143 10 30 CGEEMO C=C(C)C[N@H+](CC)Cc1nc(-c2cccc(OC)c2)no1 ZINC000066560075 345300370 /nfs/dbraw/zinc/30/03/70/345300370.db2.gz RDCYMXMKKNCROJ-UHFFFAOYSA-N 1 1 287.363 3.143 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000309539118 346469258 /nfs/dbraw/zinc/46/92/58/346469258.db2.gz KGMIJMIKOGTRDO-HKUYNNGSSA-N 1 1 297.446 3.323 10 30 CGEEMO C=C[C@@H](CO)[C@H]1CC[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000004097850 368529521 /nfs/dbraw/zinc/52/95/21/368529521.db2.gz RYMNVEAAYOFGCI-DEYYWGMASA-N 1 1 296.414 3.272 10 30 biogenic,in-vitro CGEEMO C=C[C@@H](CO)[C@H]1CC[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000004097850 368529528 /nfs/dbraw/zinc/52/95/28/368529528.db2.gz RYMNVEAAYOFGCI-DEYYWGMASA-N 1 1 296.414 3.272 10 30 biogenic,in-vitro CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000061891054 369610953 /nfs/dbraw/zinc/61/09/53/369610953.db2.gz LFRZBQOJSQZSNZ-AAEUAGOBSA-N 1 1 266.291 3.070 10 30 CGEEMO N#CCSCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000074981514 369892383 /nfs/dbraw/zinc/89/23/83/369892383.db2.gz XRKQUUHSZRQJJG-UHFFFAOYSA-N 1 1 272.417 3.423 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000182064869 374213420 /nfs/dbraw/zinc/21/34/20/374213420.db2.gz JVZWAKJTEMIRML-MAUKXSAKSA-N 1 1 285.435 3.329 10 30 CGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182064869 374213423 /nfs/dbraw/zinc/21/34/23/374213423.db2.gz JVZWAKJTEMIRML-MAUKXSAKSA-N 1 1 285.435 3.329 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000193371483 375869469 /nfs/dbraw/zinc/86/94/69/375869469.db2.gz JKYXAIVGNNGLAL-MRXNPFEDSA-N 1 1 261.413 3.402 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000049223546 392039425 /nfs/dbraw/zinc/03/94/25/392039425.db2.gz QCMPPSPSCMUBDG-CYBMUJFWSA-N 1 1 297.324 3.473 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000333608128 228207036 /nfs/dbraw/zinc/20/70/36/228207036.db2.gz WFGVYOQNHUJOCP-LSDHHAIUSA-N 1 1 286.375 3.020 10 30 CGEEMO C=C[C@H](CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000119553342 262274501 /nfs/dbraw/zinc/27/45/01/262274501.db2.gz IRVFKPZFXRLXDN-SJLPKXTDSA-N 1 1 298.430 3.043 10 30 CGEEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCCC#N)C12CCCC2 ZINC000121191683 267571226 /nfs/dbraw/zinc/57/12/26/267571226.db2.gz JGNODKIRCFMXBH-LSDHHAIUSA-N 1 1 264.413 3.350 10 30 CGEEMO CC(C)c1nc2c(n1C)CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000123360127 329009105 /nfs/dbraw/zinc/00/91/05/329009105.db2.gz OMUFZZGWZQAFFB-UHFFFAOYSA-N 1 1 288.439 3.232 10 30 CGEEMO CC(C)c1nc2c(n1C)CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000123360127 329009106 /nfs/dbraw/zinc/00/91/06/329009106.db2.gz OMUFZZGWZQAFFB-UHFFFAOYSA-N 1 1 288.439 3.232 10 30 CGEEMO C[C@@H](C#N)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000235465451 329439133 /nfs/dbraw/zinc/43/91/33/329439133.db2.gz RYZQMFFCMOJDNX-TVQRCGJNSA-N 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CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610583218 348391389 /nfs/dbraw/zinc/39/13/89/348391389.db2.gz TZMRNCKEHYEYCB-QZTJIDSGSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000610583218 348391392 /nfs/dbraw/zinc/39/13/92/348391392.db2.gz TZMRNCKEHYEYCB-QZTJIDSGSA-N 1 1 283.419 3.007 10 30 CGEEMO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892090 369611111 /nfs/dbraw/zinc/61/11/11/369611111.db2.gz MUOPBWCRSGPQMC-UKRRQHHQSA-N 1 1 258.365 3.256 10 30 CGEEMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000187670712 375067427 /nfs/dbraw/zinc/06/74/27/375067427.db2.gz RUTOIFZRTHZSIF-ZDUSSCGKSA-N 1 1 280.375 3.222 10 30 CGEEMO C=CCCCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000193343175 375864280 /nfs/dbraw/zinc/86/42/80/375864280.db2.gz WSQZZCKLYKOUNB-CYBMUJFWSA-N 1 1 266.410 3.263 10 30 CGEEMO C=CCCCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000193343175 375864284 /nfs/dbraw/zinc/86/42/84/375864284.db2.gz WSQZZCKLYKOUNB-CYBMUJFWSA-N 1 1 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N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)o1 ZINC000093868167 165340087 /nfs/dbraw/zinc/34/00/87/165340087.db2.gz MDEOKJFKJZCJGQ-QAPCUYQASA-N 1 1 296.370 3.239 10 30 CGEEMO N#Cc1ccccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020358831 171157987 /nfs/dbraw/zinc/15/79/87/171157987.db2.gz CRMXAMKSRUCLBL-QGZVFWFLSA-N 1 1 277.371 3.245 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000150143155 327208479 /nfs/dbraw/zinc/20/84/79/327208479.db2.gz UWRAYWBOVIFHHX-STQMWFEESA-N 1 1 250.292 3.406 10 30 CGEEMO N#CCSCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000173895159 329153371 /nfs/dbraw/zinc/15/33/71/329153371.db2.gz NXGKDVIGJIGILC-LBPRGKRZSA-N 1 1 250.367 3.063 10 30 CGEEMO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 ZINC000336719434 335115254 /nfs/dbraw/zinc/11/52/54/335115254.db2.gz YFVKNTDNSRXNLF-MWLCHTKSSA-N 1 1 252.408 3.252 10 30 CGEEMO C[C@@H]1CCC[N@@H+](Cc2cc(C#CCCO)cs2)[C@@H]1C ZINC000050566705 524233174 /nfs/dbraw/zinc/23/31/74/524233174.db2.gz PDRCFBKDIHSKSJ-ZIAGYGMSSA-N 1 1 277.433 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N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000333608126 283056882 /nfs/dbraw/zinc/05/68/82/283056882.db2.gz WFGVYOQNHUJOCP-GJZGRUSLSA-N 1 1 286.375 3.020 10 30 CGEEMO C=CCc1cc(C[N@H+]2CCS[C@@H](C)C2)cc(OC)c1O ZINC000131347125 371102369 /nfs/dbraw/zinc/10/23/69/371102369.db2.gz GTVPMQXWMGCQNV-LBPRGKRZSA-N 1 1 293.432 3.067 10 30 CGEEMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1C#N ZINC000135083904 371390229 /nfs/dbraw/zinc/39/02/29/371390229.db2.gz APILQOHGEUSPBD-OAHLLOKOSA-N 1 1 282.343 3.497 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)C1CCCCC1 ZINC000328601849 374371825 /nfs/dbraw/zinc/37/18/25/374371825.db2.gz GFNIXOQVHTYWJQ-CVEARBPZSA-N 1 1 296.455 3.005 10 30 CGEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000189916317 375458686 /nfs/dbraw/zinc/45/86/86/375458686.db2.gz OFOIFPGGWVAUCC-KSSFIOAISA-N 1 1 294.402 3.289 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000193333190 375862270 /nfs/dbraw/zinc/86/22/70/375862270.db2.gz JLRNZOHRLUNQFG-HNNXBMFYSA-N 1 1 277.412 3.379 10 30 CGEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246761009 377085215 /nfs/dbraw/zinc/08/52/15/377085215.db2.gz PNJSILMPJAXASV-LSDHHAIUSA-N 1 1 290.407 3.497 10 30 CGEEMO C=CC[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249288826 377486338 /nfs/dbraw/zinc/48/63/38/377486338.db2.gz USXVBVKMRGWNPE-ZWKOTPCHSA-N 1 1 298.430 3.043 10 30 CGEEMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)c(F)c1 ZINC000251745720 377595318 /nfs/dbraw/zinc/59/53/18/377595318.db2.gz PYMFYTIKACZKQC-NURSFMCSSA-N 1 1 250.292 3.308 10 30 CGEEMO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000369993820 382406741 /nfs/dbraw/zinc/40/67/41/382406741.db2.gz FDTSOACKQHRNIL-INIZCTEOSA-N 1 1 277.456 3.267 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000369993820 382406748 /nfs/dbraw/zinc/40/67/48/382406748.db2.gz FDTSOACKQHRNIL-INIZCTEOSA-N 1 1 277.456 3.267 10 30 CGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000189868814 130032769 /nfs/dbraw/zinc/03/27/69/130032769.db2.gz MTFGCNODNRWNOX-SUMWQHHRSA-N 1 1 280.375 3.190 10 30 CGEEMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000371961085 392570155 /nfs/dbraw/zinc/57/01/55/392570155.db2.gz DQOKXORRZASDRH-CQSZACIVSA-N 1 1 298.365 3.109 10 30 CGEEMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961085 392570164 /nfs/dbraw/zinc/57/01/64/392570164.db2.gz DQOKXORRZASDRH-CQSZACIVSA-N 1 1 298.365 3.109 10 30 CGEEMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961085 392570172 /nfs/dbraw/zinc/57/01/72/392570172.db2.gz DQOKXORRZASDRH-CQSZACIVSA-N 1 1 298.365 3.109 10 30 CGEEMO N#Cc1ccccc1-n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000036889857 172784313 /nfs/dbraw/zinc/78/43/13/172784313.db2.gz HSXBLGSNVPEIFF-UHFFFAOYSA-N 1 1 268.707 3.133 10 30 CGEEMO CC(C)(C#N)CCCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000232531841 333338330 /nfs/dbraw/zinc/33/83/30/333338330.db2.gz LJPFWGWDFKUGNC-NVXWUHKLSA-N 1 1 278.440 3.333 10 30 CGEEMO C=CCc1cc(OC)cc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000164295976 622827434 /nfs/dbraw/zinc/82/74/34/622827434.db2.gz GQAIVSKBFYYIIO-LBPRGKRZSA-N 1 1 293.432 3.067 10 30 CGEEMO CCCCCCCCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248884670 640785884 /nfs/dbraw/zinc/78/58/84/640785884.db2.gz QMEMVBHRMARHDD-SJORKVTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248884670 640785887 /nfs/dbraw/zinc/78/58/87/640785887.db2.gz QMEMVBHRMARHDD-SJORKVTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248884670 640785890 /nfs/dbraw/zinc/78/58/90/640785890.db2.gz QMEMVBHRMARHDD-SJORKVTESA-N 1 1 284.488 3.124 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161312674 346175204 /nfs/dbraw/zinc/17/52/04/346175204.db2.gz YFCXOPHWQYVLGX-MFKMUULPSA-N 1 1 297.171 3.370 10 30 CGEEMO C=C(C)[C@@H]([NH2+]C)c1c(F)cccc1Br ZINC000165170649 346184214 /nfs/dbraw/zinc/18/42/14/346184214.db2.gz ZZYHKZKPVYWLDA-LLVKDONJSA-N 1 1 258.134 3.425 10 30 CGEEMO CC(C)(C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616666280 348860028 /nfs/dbraw/zinc/86/00/28/348860028.db2.gz MMNUZGALFNLREH-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO C=CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481716 370502908 /nfs/dbraw/zinc/50/29/08/370502908.db2.gz HCEYXWOQQRKBEU-OAHLLOKOSA-N 1 1 267.376 3.442 10 30 CGEEMO C=CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481714 370502938 /nfs/dbraw/zinc/50/29/38/370502938.db2.gz HCEYXWOQQRKBEU-HNNXBMFYSA-N 1 1 267.376 3.442 10 30 CGEEMO CC[N@H+]1CCC[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000180422376 374001645 /nfs/dbraw/zinc/00/16/45/374001645.db2.gz GYFGVICSHALEMW-HNNXBMFYSA-N 1 1 280.375 3.003 10 30 CGEEMO N#CCCC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191674584 375651487 /nfs/dbraw/zinc/65/14/87/375651487.db2.gz PHQLNRSXVTZTEI-GFCCVEGCSA-N 1 1 264.319 3.448 10 30 CGEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000245972969 376947007 /nfs/dbraw/zinc/94/70/07/376947007.db2.gz AZMKJZANMZEXCD-DLBZAZTESA-N 1 1 289.419 3.166 10 30 CGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247336305 377195865 /nfs/dbraw/zinc/19/58/65/377195865.db2.gz FUYIDJAAXFNOOE-GUYCJALGSA-N 1 1 280.375 3.190 10 30 CGEEMO C=C(C)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000252652225 377645689 /nfs/dbraw/zinc/64/56/89/377645689.db2.gz IWCLSPYLJFLBDO-QWHCGFSZSA-N 1 1 251.395 3.212 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846204 392129640 /nfs/dbraw/zinc/12/96/40/392129640.db2.gz LFCLKGQDGKOTJX-CYBMUJFWSA-N 1 1 263.772 3.108 10 30 CGEEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000154905128 392538708 /nfs/dbraw/zinc/53/87/08/392538708.db2.gz UHGCPWIBGVKBPW-ZDUSSCGKSA-N 1 1 287.382 3.150 10 30 CGEEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000174852087 261200082 /nfs/dbraw/zinc/20/00/82/261200082.db2.gz TXIGLMZVMVGSEY-UHFFFAOYSA-N 1 1 288.439 3.232 10 30 CGEEMO C#C[C@@H]([NH2+]CC)c1cc(Br)ccc1Cl ZINC000130265632 346055847 /nfs/dbraw/zinc/05/58/47/346055847.db2.gz VYMKPQKVXUKPIB-LLVKDONJSA-N 1 1 272.573 3.386 10 30 CGEEMO C#CC[C@H](CC)Nc1cc[nH+]cc1Br ZINC000228987416 346316250 /nfs/dbraw/zinc/31/62/50/346316250.db2.gz QTBIEJHUBQIAQP-VIFPVBQESA-N 1 1 253.143 3.058 10 30 CGEEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616665958 348859507 /nfs/dbraw/zinc/85/95/07/348859507.db2.gz BBYFGEUHUWZTNB-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116297446 138365865 /nfs/dbraw/zinc/36/58/65/138365865.db2.gz BNOACGSGUILLJH-HNNXBMFYSA-N 1 1 282.343 3.367 10 30 CGEEMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)c(F)c1 ZINC000051986690 369459753 /nfs/dbraw/zinc/45/97/53/369459753.db2.gz DSVSEYNFVSEUGQ-MRXNPFEDSA-N 1 1 282.318 3.311 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000061891288 369610736 /nfs/dbraw/zinc/61/07/36/369610736.db2.gz DSQAAUFLIMKZCW-GXFFZTMASA-N 1 1 297.171 3.370 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000061891979 369610797 /nfs/dbraw/zinc/61/07/97/369610797.db2.gz PEKFFYVSBGTLJV-ZJUUUORDSA-N 1 1 285.210 3.292 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC000160008681 372203599 /nfs/dbraw/zinc/20/35/99/372203599.db2.gz CSQOZQQLIZTQSM-SFHVURJKSA-N 1 1 297.377 3.019 10 30 CGEEMO C=CCCC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195257821 376093614 /nfs/dbraw/zinc/09/36/14/376093614.db2.gz AQABOIJFVJVNML-OAHLLOKOSA-N 1 1 293.480 3.171 10 30 CGEEMO C=CCCCCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248754776 377395899 /nfs/dbraw/zinc/39/58/99/377395899.db2.gz HVFCFHMHNRAXMK-JKSUJKDBSA-N 1 1 251.414 3.360 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248933124 290246043 /nfs/dbraw/zinc/24/60/43/290246043.db2.gz MTFGCNODNRWNOX-DYVFJYSZSA-N 1 1 280.375 3.190 10 30 CGEEMO CCOC1CC[NH+]([C@H](CC#N)c2ccccc2)CC1 ZINC000055020258 521656618 /nfs/dbraw/zinc/65/66/18/521656618.db2.gz NTABEEZOZRODOI-MRXNPFEDSA-N 1 1 258.365 3.142 10 30 CGEEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccc(C#N)cc1 ZINC000054825657 525553319 /nfs/dbraw/zinc/55/33/19/525553319.db2.gz VFPOTIPPFSEIAZ-APHBMKBZSA-N 1 1 253.349 3.291 10 30 CGEEMO CC[C@H]1CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330286590 529244902 /nfs/dbraw/zinc/24/49/02/529244902.db2.gz ZZRGKQWCWYHPNN-NSHDSACASA-N 1 1 263.366 3.082 10 30 CGEEMO CCCCCCCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195328272 640578827 /nfs/dbraw/zinc/57/88/27/640578827.db2.gz IGGRKVKMIIUQBK-HNNXBMFYSA-N 1 1 266.429 3.044 10 30 CGEEMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116290201 232183576 /nfs/dbraw/zinc/18/35/76/232183576.db2.gz VWZPNGLCAMBJDB-HNNXBMFYSA-N 1 1 252.317 3.488 10 30 CGEEMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297442 138365634 /nfs/dbraw/zinc/36/56/34/138365634.db2.gz BNOACGSGUILLJH-OAHLLOKOSA-N 1 1 282.343 3.367 10 30 CGEEMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000120209700 138367382 /nfs/dbraw/zinc/36/73/82/138367382.db2.gz HVIXZAOHXUITRH-OAHLLOKOSA-N 1 1 282.343 3.497 10 30 CGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000120209700 138367384 /nfs/dbraw/zinc/36/73/84/138367384.db2.gz HVIXZAOHXUITRH-OAHLLOKOSA-N 1 1 282.343 3.497 10 30 CGEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000178336290 189108225 /nfs/dbraw/zinc/10/82/25/189108225.db2.gz KMSGWRWYKRPQSE-KSSFIOAISA-N 1 1 294.402 3.289 10 30 CGEEMO C=CC[C@@H]1C[N@H+](C)CC[C@@]1(OC(=O)CC)c1ccccc1 ZINC000027877188 368877141 /nfs/dbraw/zinc/87/71/41/368877141.db2.gz KGYFOSCXVAXULR-SJLPKXTDSA-N 1 1 287.403 3.363 10 30 in-man CGEEMO C=C(C)C[N@@H+](CC)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068045793 541889752 /nfs/dbraw/zinc/88/97/52/541889752.db2.gz YCAUTCYAGPYMGH-INIZCTEOSA-N 1 1 297.826 3.116 10 30 CGEEMO N#CCCC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191674600 375651547 /nfs/dbraw/zinc/65/15/47/375651547.db2.gz PHQLNRSXVTZTEI-LBPRGKRZSA-N 1 1 264.319 3.448 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000192009923 375689668 /nfs/dbraw/zinc/68/96/68/375689668.db2.gz OMCQVSYRRHLCTQ-INIZCTEOSA-N 1 1 298.365 3.039 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253092729 377673103 /nfs/dbraw/zinc/67/31/03/377673103.db2.gz LJPWLGVJQZYYSK-BZUAXINKSA-N 1 1 278.440 3.332 10 30 CGEEMO CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892698 262406322 /nfs/dbraw/zinc/40/63/22/262406322.db2.gz AHUHGZBNIHFVDV-GDBMZVCRSA-N 1 1 258.365 3.257 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000061892849 264560759 /nfs/dbraw/zinc/56/07/59/264560759.db2.gz RYHVCWOCPSXZCM-ZWNOBZJWSA-N 1 1 252.720 3.261 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000118398575 279034292 /nfs/dbraw/zinc/03/42/92/279034292.db2.gz PKTWQXFABGTYHM-MAUKXSAKSA-N 1 1 294.402 3.461 10 30 CGEEMO Cc1csc([C@H]2CCC[N@@H+](CCCSCC#N)C2)n1 ZINC000173876541 329153150 /nfs/dbraw/zinc/15/31/50/329153150.db2.gz PLSNAOYZXHLNER-ZDUSSCGKSA-N 1 1 295.477 3.278 10 30 CGEEMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C#N)cc2Cl)C1 ZINC000062791023 519688780 /nfs/dbraw/zinc/68/87/80/519688780.db2.gz GARISFJPFHTUKK-CYBMUJFWSA-N 1 1 277.799 3.354 10 30 CGEEMO CCCCC[N@@H+](CC[C@@H](C#N)NC(C)C)C(C)C ZINC000062437255 520173620 /nfs/dbraw/zinc/17/36/20/520173620.db2.gz PCSNDGUPNDLWBA-HNNXBMFYSA-N 1 1 253.434 3.167 10 30 CGEEMO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C#N)s1 ZINC000054826148 526755365 /nfs/dbraw/zinc/75/53/65/526755365.db2.gz GQMWIEYHANBATC-UHTWSYAYSA-N 1 1 263.410 3.493 10 30 CGEEMO COc1cccc2cc(C[NH2+][C@H]3CCC[C@@H]3C#N)oc21 ZINC000061892183 623185865 /nfs/dbraw/zinc/18/58/65/623185865.db2.gz NRCJSAGFDOWKSK-OCCSQVGLSA-N 1 1 270.332 3.223 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000610583125 348391102 /nfs/dbraw/zinc/39/11/02/348391102.db2.gz QNFBEOJOHAYFBP-ZWKOTPCHSA-N 1 1 283.419 3.007 10 30 CGEEMO CC(C)(C)[N@H+]1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616599446 348841647 /nfs/dbraw/zinc/84/16/47/348841647.db2.gz ZNFKCTNMOVRENW-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO CC#CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000156926480 188288815 /nfs/dbraw/zinc/28/88/15/188288815.db2.gz VFJVQDYLMLGTTH-LSDHHAIUSA-N 1 1 297.320 3.227 10 30 CGEEMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116294659 138365939 /nfs/dbraw/zinc/36/59/39/138365939.db2.gz MSPYMRTYKYGOPG-MRXNPFEDSA-N 1 1 282.343 3.367 10 30 CGEEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCCCC(C)(C)C#N ZINC000300187774 261181426 /nfs/dbraw/zinc/18/14/26/261181426.db2.gz GHEPZSUPOSPAOS-CVEARBPZSA-N 1 1 277.456 3.265 10 30 CGEEMO C=CCCCCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132282158 371164131 /nfs/dbraw/zinc/16/41/31/371164131.db2.gz ZGZPFCWVBWUNRB-HOTGVXAUSA-N 1 1 295.471 3.103 10 30 CGEEMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172027628 372886227 /nfs/dbraw/zinc/88/62/27/372886227.db2.gz FKWFYZLRPWWJRY-OAHLLOKOSA-N 1 1 252.317 3.488 10 30 CGEEMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172027628 372886231 /nfs/dbraw/zinc/88/62/31/372886231.db2.gz FKWFYZLRPWWJRY-OAHLLOKOSA-N 1 1 252.317 3.488 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000182064889 374213403 /nfs/dbraw/zinc/21/34/03/374213403.db2.gz JVZWAKJTEMIRML-CRAIPNDOSA-N 1 1 285.435 3.329 10 30 CGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000182064889 374213409 /nfs/dbraw/zinc/21/34/09/374213409.db2.gz JVZWAKJTEMIRML-CRAIPNDOSA-N 1 1 285.435 3.329 10 30 CGEEMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328713461 374377533 /nfs/dbraw/zinc/37/75/33/374377533.db2.gz RZTNDXUTJJLHJU-GOEBONIOSA-N 1 1 298.390 3.197 10 30 CGEEMO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328713461 374377538 /nfs/dbraw/zinc/37/75/38/374377538.db2.gz RZTNDXUTJJLHJU-GOEBONIOSA-N 1 1 298.390 3.197 10 30 CGEEMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000193335465 375864386 /nfs/dbraw/zinc/86/43/86/375864386.db2.gz NIRUAEUZKMCXRI-MRXNPFEDSA-N 1 1 288.439 3.124 10 30 CGEEMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000253096869 131139698 /nfs/dbraw/zinc/13/96/98/131139698.db2.gz QWYCXCFNLYQXFB-KZNAEPCWSA-N 1 1 284.403 3.074 10 30 CGEEMO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000134726950 392468030 /nfs/dbraw/zinc/46/80/30/392468030.db2.gz LMKYOQACXGXONT-JFIYKMOQSA-N 1 1 298.430 3.041 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000174851226 392647554 /nfs/dbraw/zinc/64/75/54/392647554.db2.gz OSPSHOCPVZEIGR-OAHLLOKOSA-N 1 1 274.412 3.158 10 30 CGEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCCCC(C)(C)C#N ZINC000300187774 261181423 /nfs/dbraw/zinc/18/14/23/261181423.db2.gz GHEPZSUPOSPAOS-CVEARBPZSA-N 1 1 277.456 3.265 10 30 CGEEMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCCCC(C)(C)C#N ZINC000300187774 261181425 /nfs/dbraw/zinc/18/14/25/261181425.db2.gz GHEPZSUPOSPAOS-CVEARBPZSA-N 1 1 277.456 3.265 10 30 CGEEMO C=CCC[C@@H]([NH2+]Cc1nnc(C)n1CC)c1ccccc1 ZINC000180036712 264390124 /nfs/dbraw/zinc/39/01/24/264390124.db2.gz MWPLSWOIIXQZOW-MRXNPFEDSA-N 1 1 284.407 3.404 10 30 CGEEMO CCOC1CC[NH+]([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020256 521656738 /nfs/dbraw/zinc/65/67/38/521656738.db2.gz NTABEEZOZRODOI-INIZCTEOSA-N 1 1 258.365 3.142 10 30 CGEEMO COc1cccc2cc(C[NH2+][C@H]3CCC[C@H]3C#N)oc21 ZINC000061892185 623186448 /nfs/dbraw/zinc/18/64/48/623186448.db2.gz NRCJSAGFDOWKSK-JSGCOSHPSA-N 1 1 270.332 3.223 10 30 CGEEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616598515 348840016 /nfs/dbraw/zinc/84/00/16/348840016.db2.gz CTPIFOVTDDKYOB-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC23CCCCC3)cc1 ZINC000365547633 234110463 /nfs/dbraw/zinc/11/04/63/234110463.db2.gz DCIRRFLQVFMYJS-MRXNPFEDSA-N 1 1 270.376 3.000 10 30 CGEEMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116289127 138365794 /nfs/dbraw/zinc/36/57/94/138365794.db2.gz IYDJVRHNJSHMHD-MRXNPFEDSA-N 1 1 282.343 3.367 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@H]1CNc1ccc(C#N)cc1 ZINC000301853899 201233399 /nfs/dbraw/zinc/23/33/99/201233399.db2.gz QLDJJIHHYQUCKQ-INIZCTEOSA-N 1 1 257.381 3.091 10 30 CGEEMO C[N@H+]1C[C@@H](CC#N)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004215531 368536344 /nfs/dbraw/zinc/53/63/44/368536344.db2.gz LBMFWYCMCHRLBU-SGIREYDYSA-N 1 1 265.360 3.042 10 30 in-man CGEEMO C=CC[C@@]1([NH2+]CCc2ccccc2)C[C@@H](C)N(C)C[C@@H]1C ZINC000013454245 368653397 /nfs/dbraw/zinc/65/33/97/368653397.db2.gz HOFFNRHAINUGIB-YQVWRLOYSA-N 1 1 286.463 3.494 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000155223682 371913883 /nfs/dbraw/zinc/91/38/83/371913883.db2.gz FALCZEYGVQFUNC-CRAIPNDOSA-N 1 1 285.435 3.329 10 30 CGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000155223682 371913894 /nfs/dbraw/zinc/91/38/94/371913894.db2.gz FALCZEYGVQFUNC-CRAIPNDOSA-N 1 1 285.435 3.329 10 30 CGEEMO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195443151 376103949 /nfs/dbraw/zinc/10/39/49/376103949.db2.gz MCMHTHIRKWYUAL-GFCCVEGCSA-N 1 1 250.411 3.461 10 30 CGEEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245957898 376945406 /nfs/dbraw/zinc/94/54/06/376945406.db2.gz CHWCQJHDWLYOHT-NIKGAXFTSA-N 1 1 292.382 3.285 10 30 CGEEMO C[C@@H]([NH2+]CCC#N)c1cccc(Br)c1 ZINC000020199515 262232614 /nfs/dbraw/zinc/23/26/14/262232614.db2.gz GSINVMYQTBUBBD-SECBINFHSA-N 1 1 253.143 3.013 10 30 CGEEMO C=CCCCCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248754770 334316358 /nfs/dbraw/zinc/31/63/58/334316358.db2.gz HVFCFHMHNRAXMK-HOTGVXAUSA-N 1 1 251.414 3.360 10 30 CGEEMO CCCC[N@@H+](CC[C@H](C#N)NCCC)[C@@H](C)CC ZINC000062438013 520539198 /nfs/dbraw/zinc/53/91/98/520539198.db2.gz QRVKZYLGBKVHGC-LSDHHAIUSA-N 1 1 253.434 3.169 10 30 CGEEMO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000054825527 521371009 /nfs/dbraw/zinc/37/10/09/521371009.db2.gz CMOKZTWOOOJZKA-GOEBONIOSA-N 1 1 258.365 3.257 10 30 CGEEMO Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000329422293 534629978 /nfs/dbraw/zinc/62/99/78/534629978.db2.gz HLKWARQHGRKEKX-JSGCOSHPSA-N 1 1 291.395 3.408 10 30 CGEEMO Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c(C#N)c(C)n1 ZINC000156549396 525266618 /nfs/dbraw/zinc/26/66/18/525266618.db2.gz NEHDTCWJFANUBX-CQSZACIVSA-N 1 1 286.423 3.247 10 30 CGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000156420262 526688823 /nfs/dbraw/zinc/68/88/23/526688823.db2.gz KFVHVOUATKKOFU-HOTGVXAUSA-N 1 1 282.343 3.022 10 30 CGEEMO CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284934 529244681 /nfs/dbraw/zinc/24/46/81/529244681.db2.gz YEADZLFMZHYQIV-JTQLQIEISA-N 1 1 298.289 3.080 10 30 CGEEMO CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284934 529244684 /nfs/dbraw/zinc/24/46/84/529244684.db2.gz YEADZLFMZHYQIV-JTQLQIEISA-N 1 1 298.289 3.080 10 30 CGEEMO O=[N+]([O-])c1ccc(/C=[N+](\O)Cc2ccc(Cl)cc2)cc1 ZINC000225414012 346304045 /nfs/dbraw/zinc/30/40/45/346304045.db2.gz GGBIJWCJNXLPKW-YBEGLDIGSA-N 1 1 291.714 3.269 10 30 CGEEMO C=CC/[NH+]=C(\C)c1ccc(I)cc1 ZINC000584610254 346691739 /nfs/dbraw/zinc/69/17/39/346691739.db2.gz UCUDFKBKDKZVTN-UKTHLTGXSA-N 1 1 285.128 3.286 10 30 CGEEMO N#Cc1ccccc1[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616660911 348859001 /nfs/dbraw/zinc/85/90/01/348859001.db2.gz RJZQNNGDDFKQOO-SFHVURJKSA-N 1 1 292.382 3.174 10 30 CGEEMO N#Cc1ccccc1C[NH+]1CCC(c2nccs2)CC1 ZINC000336332480 213179008 /nfs/dbraw/zinc/17/90/08/213179008.db2.gz CZMBDKCMLWLLCA-UHFFFAOYSA-N 1 1 283.400 3.394 10 30 CGEEMO C=CC[N@@H+]1CCC[C@H](N(C(=O)CC)c2ccccc2)CC1 ZINC000027988825 368880047 /nfs/dbraw/zinc/88/00/47/368880047.db2.gz VOOYWKHGNRDJHJ-KRWDZBQOSA-N 1 1 286.419 3.470 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626786 369604347 /nfs/dbraw/zinc/60/43/47/369604347.db2.gz GAVXMSFENQKSKF-AAEUAGOBSA-N 1 1 268.282 3.487 10 30 CGEEMO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891657 369610763 /nfs/dbraw/zinc/61/07/63/369610763.db2.gz HGEYXTOFJANDER-HOCLYGCPSA-N 1 1 256.349 3.033 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000061891981 369610881 /nfs/dbraw/zinc/61/08/81/369610881.db2.gz PEKFFYVSBGTLJV-UWVGGRQHSA-N 1 1 285.210 3.292 10 30 CGEEMO CC#CCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000156792952 371995795 /nfs/dbraw/zinc/99/57/95/371995795.db2.gz WPERHZMZIKGNIX-INIZCTEOSA-N 1 1 273.351 3.276 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000159753085 372175322 /nfs/dbraw/zinc/17/53/22/372175322.db2.gz YVAKVGSDYHBSTJ-UHFFFAOYSA-N 1 1 264.328 3.441 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)o1 ZINC000159753085 372175326 /nfs/dbraw/zinc/17/53/26/372175326.db2.gz YVAKVGSDYHBSTJ-UHFFFAOYSA-N 1 1 264.328 3.441 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000193338137 375863285 /nfs/dbraw/zinc/86/32/85/375863285.db2.gz VRFNIJDRWZCZMB-QGZVFWFLSA-N 1 1 290.455 3.353 10 30 CGEEMO CCc1csc([C@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000195379898 376100556 /nfs/dbraw/zinc/10/05/56/376100556.db2.gz NTMKIJZJFFMPEX-LBPRGKRZSA-N 1 1 263.410 3.189 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253092730 377673038 /nfs/dbraw/zinc/67/30/38/377673038.db2.gz LJPWLGVJQZYYSK-OAGGEKHMSA-N 1 1 278.440 3.332 10 30 CGEEMO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)C)n1C ZINC000150873232 392481674 /nfs/dbraw/zinc/48/16/74/392481674.db2.gz GVQRCWQWLSOTRO-UHFFFAOYSA-N 1 1 264.417 3.117 10 30 CGEEMO C=CCCCCC[N@H+](C)Cc1nnc(C(C)C)n1C ZINC000150873232 392481680 /nfs/dbraw/zinc/48/16/80/392481680.db2.gz GVQRCWQWLSOTRO-UHFFFAOYSA-N 1 1 264.417 3.117 10 30 CGEEMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000135123091 287461734 /nfs/dbraw/zinc/46/17/34/287461734.db2.gz UZMZGJVLGXSCOB-SECBINFHSA-N 1 1 262.259 3.280 10 30 CGEEMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000300119223 261176014 /nfs/dbraw/zinc/17/60/14/261176014.db2.gz CQWJPTFYKTWAKC-HUUCEWRRSA-N 1 1 264.413 3.350 10 30 CGEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(F)c(F)c1 ZINC000251745713 329933842 /nfs/dbraw/zinc/93/38/42/329933842.db2.gz PYMFYTIKACZKQC-CHIMOYNISA-N 1 1 250.292 3.308 10 30 CGEEMO CC(C)C[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055481974 519310654 /nfs/dbraw/zinc/31/06/54/519310654.db2.gz DMRKNNCSSLAQGM-AWEZNQCLSA-N 1 1 260.381 3.303 10 30 CGEEMO CCCCCCCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000157920600 622974166 /nfs/dbraw/zinc/97/41/66/622974166.db2.gz OKNPPIFLTOXQQT-UHFFFAOYSA-N 1 1 290.455 3.349 10 30 CGEEMO C#CCCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091979106 640727725 /nfs/dbraw/zinc/72/77/25/640727725.db2.gz ACGAGSUFZDZATR-OALUTQOASA-N 1 1 299.414 3.232 10 30 CGEEMO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891668 345236269 /nfs/dbraw/zinc/23/62/69/345236269.db2.gz BFROKQXZPFKCTM-GOEBONIOSA-N 1 1 258.365 3.257 10 30 CGEEMO Cc1cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308275230 346466191 /nfs/dbraw/zinc/46/61/91/346466191.db2.gz DSIGIIMWSKPEAN-HNNXBMFYSA-N 1 1 294.402 3.194 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000599465967 347747250 /nfs/dbraw/zinc/74/72/50/347747250.db2.gz WTUZENJZKJVHMZ-JQWIXIFHSA-N 1 1 283.297 3.272 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202211 283139406 /nfs/dbraw/zinc/13/94/06/283139406.db2.gz HZGBMWOVOGMRFR-INIZCTEOSA-N 1 1 266.348 3.009 10 30 CGEEMO Cc1cc(NCCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301805113 201208718 /nfs/dbraw/zinc/20/87/18/201208718.db2.gz XMEZQIBDZBXHEY-CYBMUJFWSA-N 1 1 286.423 3.104 10 30 CGEEMO C=CCC[C@H](O)C[N@H+](CCCOC)Cc1cccc(C)c1 ZINC000036100526 369009572 /nfs/dbraw/zinc/00/95/72/369009572.db2.gz YSWDROKCSXQKJS-SFHVURJKSA-N 1 1 291.435 3.161 10 30 CGEEMO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061892086 369610981 /nfs/dbraw/zinc/61/09/81/369610981.db2.gz CJDVZELHVMLSMC-GDBMZVCRSA-N 1 1 258.365 3.256 10 30 CGEEMO CC(C)COC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000103141166 370319888 /nfs/dbraw/zinc/31/98/88/370319888.db2.gz NVUQXUGMEIALNU-UHFFFAOYSA-N 1 1 290.382 3.334 10 30 CGEEMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114201475 370492987 /nfs/dbraw/zinc/49/29/87/370492987.db2.gz CQOLSIDOAHOGGJ-INIZCTEOSA-N 1 1 266.348 3.009 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2c(Cl)cccc2C#N)C1 ZINC000180423376 374004809 /nfs/dbraw/zinc/00/48/09/374004809.db2.gz FOUJTGLRTHQGBS-GFCCVEGCSA-N 1 1 263.772 3.108 10 30 CGEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000189916338 375458777 /nfs/dbraw/zinc/45/87/77/375458777.db2.gz OFOIFPGGWVAUCC-KBXCAEBGSA-N 1 1 294.402 3.289 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000174839147 392647259 /nfs/dbraw/zinc/64/72/59/392647259.db2.gz MORDFEFEJLPVSL-OAHLLOKOSA-N 1 1 286.423 3.145 10 30 CGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247927093 393082702 /nfs/dbraw/zinc/08/27/02/393082702.db2.gz BRLMTXQAJKRLQF-JLSDUUJJSA-N 1 1 284.403 3.246 10 30 CGEEMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000007586862 170292030 /nfs/dbraw/zinc/29/20/30/170292030.db2.gz ARDDCQJZQJOFCB-WBVHZDCISA-N 1 1 297.402 3.151 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000054830008 526513400 /nfs/dbraw/zinc/51/34/00/526513400.db2.gz NQDORBMNWCTHIV-ZWNOBZJWSA-N 1 1 252.720 3.261 10 30 CGEEMO N#Cc1cccc(-n2c3ccc(N)cc3[nH+]c2C2CC2)c1 ZINC000052842386 526693489 /nfs/dbraw/zinc/69/34/89/526693489.db2.gz KZUPJUYDECCLHF-UHFFFAOYSA-N 1 1 274.327 3.357 10 30 CGEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000054827364 345139191 /nfs/dbraw/zinc/13/91/91/345139191.db2.gz GWMOINAUZALRRB-BXUZGUMPSA-N 1 1 250.292 3.137 10 30 CGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188397520 542248091 /nfs/dbraw/zinc/24/80/91/542248091.db2.gz YAMBQDALXQDXIW-KRWDZBQOSA-N 1 1 297.402 3.113 10 30 CGEEMO C=CC[N@H+](C)CCCCCOc1ccc(NC)cc1 ZINC000144101426 346116855 /nfs/dbraw/zinc/11/68/55/346116855.db2.gz SPLASVYVKQRLQF-UHFFFAOYSA-N 1 1 262.397 3.395 10 30 CGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1C#N ZINC000389858205 346573812 /nfs/dbraw/zinc/57/38/12/346573812.db2.gz DCGGZQMSNMPLSN-LULLPPNCSA-N 1 1 297.446 3.179 10 30 CGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1C#N ZINC000389858205 346573814 /nfs/dbraw/zinc/57/38/14/346573814.db2.gz DCGGZQMSNMPLSN-LULLPPNCSA-N 1 1 297.446 3.179 10 30 CGEEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000610583122 348391170 /nfs/dbraw/zinc/39/11/70/348391170.db2.gz QNFBEOJOHAYFBP-MSOLQXFVSA-N 1 1 283.419 3.007 10 30 CGEEMO C=CCC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(C)cc1 ZINC000036094994 369007279 /nfs/dbraw/zinc/00/72/79/369007279.db2.gz IBFJBTKMWRVVOX-GOSISDBHSA-N 1 1 291.435 3.161 10 30 CGEEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCC#N)C2)cc1 ZINC000076389305 369936965 /nfs/dbraw/zinc/93/69/65/369936965.db2.gz AGYUGDXQMPYYQX-UKRRQHHQSA-N 1 1 258.365 3.177 10 30 CGEEMO Cn1cc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000177118519 373656258 /nfs/dbraw/zinc/65/62/58/373656258.db2.gz XAAHGWBGJHKMBH-QGZVFWFLSA-N 1 1 299.805 3.262 10 30 CGEEMO Cn1cc([C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)cn1 ZINC000177118519 373656266 /nfs/dbraw/zinc/65/62/66/373656266.db2.gz XAAHGWBGJHKMBH-QGZVFWFLSA-N 1 1 299.805 3.262 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000249407259 377499101 /nfs/dbraw/zinc/49/91/01/377499101.db2.gz WYJMPFMOSJBANW-OLMNPRSZSA-N 1 1 284.403 3.246 10 30 CGEEMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccsc1 ZINC000036099614 391975280 /nfs/dbraw/zinc/97/52/80/391975280.db2.gz GZKBGBAIKLZQDY-INIZCTEOSA-N 1 1 297.464 3.160 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC000105900868 392295446 /nfs/dbraw/zinc/29/54/46/392295446.db2.gz ANCMLUZZLFVDJL-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC000105900868 392295453 /nfs/dbraw/zinc/29/54/53/392295453.db2.gz ANCMLUZZLFVDJL-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO C=C=CC(C)=[NH+]c1cc(Br)cnc1C ZINC000035570498 172266101 /nfs/dbraw/zinc/26/61/01/172266101.db2.gz MTEKHMGDOYOWDC-VMPITWQZSA-N 1 1 251.127 3.101 10 30 CGEEMO C=CCC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1 ZINC000180035615 264390148 /nfs/dbraw/zinc/39/01/48/264390148.db2.gz AGLVKCIVWOGGFA-INIZCTEOSA-N 1 1 296.418 3.490 10 30 CGEEMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000130259904 536645207 /nfs/dbraw/zinc/64/52/07/536645207.db2.gz OMVMJKHOEPHZQZ-LBPRGKRZSA-N 1 1 270.332 3.319 10 30 CGEEMO COc1cccc2cc(C[NH2+][C@@H]3CCC[C@@H]3C#N)oc21 ZINC000061892182 623186584 /nfs/dbraw/zinc/18/65/84/623186584.db2.gz NRCJSAGFDOWKSK-TZMCWYRMSA-N 1 1 270.332 3.223 10 30 CGEEMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000060935127 345224583 /nfs/dbraw/zinc/22/45/83/345224583.db2.gz KWMLVYNYFPPSJS-AWEZNQCLSA-N 1 1 292.448 3.310 10 30 CGEEMO C#C[C@H]([NH2+]CC)c1cc(Br)ccc1Cl ZINC000130265425 346056236 /nfs/dbraw/zinc/05/62/36/346056236.db2.gz VYMKPQKVXUKPIB-NSHDSACASA-N 1 1 272.573 3.386 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161312802 346175131 /nfs/dbraw/zinc/17/51/31/346175131.db2.gz YFCXOPHWQYVLGX-GXFFZTMASA-N 1 1 297.171 3.370 10 30 CGEEMO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885359 346323892 /nfs/dbraw/zinc/32/38/92/346323892.db2.gz LFJKTVOTPNIMRI-TZMCWYRMSA-N 1 1 273.336 3.075 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000301774546 201188549 /nfs/dbraw/zinc/18/85/49/201188549.db2.gz NCUMZCLWTVBAEV-SNVBAGLBSA-N 1 1 298.843 3.200 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000054823378 369507855 /nfs/dbraw/zinc/50/78/55/369507855.db2.gz ARKOGSGQHFRVPX-YPMHNXCESA-N 1 1 268.282 3.487 10 30 CGEEMO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3C#N)ccc2n1 ZINC000097861648 541995493 /nfs/dbraw/zinc/99/54/93/541995493.db2.gz YOGZSAWRLCJKNN-JKSUJKDBSA-N 1 1 265.360 3.325 10 30 CGEEMO C=C(C)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246880485 377109813 /nfs/dbraw/zinc/10/98/13/377109813.db2.gz WTHPTTYOXHTFLK-KGLIPLIRSA-N 1 1 285.309 3.389 10 30 CGEEMO C=C(C)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246880485 377109818 /nfs/dbraw/zinc/10/98/18/377109818.db2.gz WTHPTTYOXHTFLK-KGLIPLIRSA-N 1 1 285.309 3.389 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000249415188 377500342 /nfs/dbraw/zinc/50/03/42/377500342.db2.gz YXWCLEJRADHYBS-CRAIPNDOSA-N 1 1 294.402 3.461 10 30 CGEEMO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3C#N)c2O1 ZINC000080509215 260180695 /nfs/dbraw/zinc/18/06/95/260180695.db2.gz ZEXRQOVHWOKURC-DZGCQCFKSA-N 1 1 270.376 3.182 10 30 CGEEMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000249518299 261251728 /nfs/dbraw/zinc/25/17/28/261251728.db2.gz KQVJBKMFFHPLAF-DLBZAZTESA-N 1 1 298.430 3.294 10 30 CGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076801861 264343952 /nfs/dbraw/zinc/34/39/52/264343952.db2.gz ZFTRXKCGMOKVRB-LSDHHAIUSA-N 1 1 274.408 3.150 10 30 CGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1 ZINC000302023443 278242351 /nfs/dbraw/zinc/24/23/51/278242351.db2.gz PAXNPPUFKPRJQE-HNNXBMFYSA-N 1 1 279.387 3.491 10 30 CGEEMO C=CC[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000188814470 329373550 /nfs/dbraw/zinc/37/35/50/329373550.db2.gz ZMQLAKBPJJHMMD-SFHVURJKSA-N 1 1 298.430 3.043 10 30 CGEEMO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C#N)s1 ZINC000054826145 526745964 /nfs/dbraw/zinc/74/59/64/526745964.db2.gz GQMWIEYHANBATC-RAIGVLPGSA-N 1 1 263.410 3.493 10 30 CGEEMO CCCCCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248884663 619383281 /nfs/dbraw/zinc/38/32/81/619383281.db2.gz QMEMVBHRMARHDD-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248884663 619383287 /nfs/dbraw/zinc/38/32/87/619383287.db2.gz QMEMVBHRMARHDD-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248884663 619383290 /nfs/dbraw/zinc/38/32/90/619383290.db2.gz QMEMVBHRMARHDD-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113231686 638167264 /nfs/dbraw/zinc/16/72/64/638167264.db2.gz OKBQCOZUDPCPSX-LSDHHAIUSA-N 1 1 266.429 3.042 10 30 CGEEMO CC(C)(C)[N@H+]1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616644281 348854999 /nfs/dbraw/zinc/85/49/99/348854999.db2.gz AVRPIXUUPRNVIN-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO N#Cc1ccccc1[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616663568 348859711 /nfs/dbraw/zinc/85/97/11/348859711.db2.gz RJZQNNGDDFKQOO-GOSISDBHSA-N 1 1 292.382 3.174 10 30 CGEEMO Cc1ncsc1C[N@H+](C)CC1(C=O)CCCCC1 ZINC000104449360 186006204 /nfs/dbraw/zinc/00/62/04/186006204.db2.gz YAINIGHOYWLBFG-UHFFFAOYSA-N 1 1 266.410 3.033 10 30 CGEEMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000135155830 371395767 /nfs/dbraw/zinc/39/57/67/371395767.db2.gz OAGONWGGRJLMSM-LLVKDONJSA-N 1 1 286.331 3.019 10 30 CGEEMO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3C#N)ccc2n1 ZINC000097861646 541995207 /nfs/dbraw/zinc/99/52/07/541995207.db2.gz YOGZSAWRLCJKNN-HZPDHXFCSA-N 1 1 265.360 3.325 10 30 CGEEMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440549 376103407 /nfs/dbraw/zinc/10/34/07/376103407.db2.gz PTTMHQRWXLGHDM-NSHDSACASA-N 1 1 256.802 3.383 10 30 CGEEMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440549 376103415 /nfs/dbraw/zinc/10/34/15/376103415.db2.gz PTTMHQRWXLGHDM-NSHDSACASA-N 1 1 256.802 3.383 10 30 CGEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186251340 392780447 /nfs/dbraw/zinc/78/04/47/392780447.db2.gz UKBCKWYVCIIQNC-SFHVURJKSA-N 1 1 294.402 3.036 10 30 CGEEMO C=C(Cl)C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000126454151 264218143 /nfs/dbraw/zinc/21/81/43/264218143.db2.gz RNBMLMREIFHZBE-UHFFFAOYSA-N 1 1 268.763 3.455 10 30 CGEEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C#N)s1 ZINC000061658237 525733114 /nfs/dbraw/zinc/73/31/14/525733114.db2.gz JGLBGLWKWCWEGK-LLVKDONJSA-N 1 1 257.362 3.174 10 30 CGEEMO CCCCCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113231684 638167417 /nfs/dbraw/zinc/16/74/17/638167417.db2.gz OKBQCOZUDPCPSX-GJZGRUSLSA-N 1 1 266.429 3.042 10 30 CGEEMO CCCCCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195065695 640564406 /nfs/dbraw/zinc/56/44/06/640564406.db2.gz OMDDHTUBMRHEFH-OAHLLOKOSA-N 1 1 266.429 3.044 10 30 CGEEMO N#CCC[N@@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000034372019 344939068 /nfs/dbraw/zinc/93/90/68/344939068.db2.gz UQZSBBAXTQOIMR-WDSOQIARSA-N 1 1 296.414 3.364 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000054825855 345139089 /nfs/dbraw/zinc/13/90/89/345139089.db2.gz FDSNRSXJNRTDIB-PSASIEDQSA-N 1 1 285.210 3.292 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000610583219 348391309 /nfs/dbraw/zinc/39/13/09/348391309.db2.gz TZMRNCKEHYEYCB-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610583219 348391311 /nfs/dbraw/zinc/39/13/11/348391311.db2.gz TZMRNCKEHYEYCB-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000610583219 348391314 /nfs/dbraw/zinc/39/13/14/348391314.db2.gz TZMRNCKEHYEYCB-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000119924052 370723491 /nfs/dbraw/zinc/72/34/91/370723491.db2.gz WSLOMIQUZJODSY-GFCCVEGCSA-N 1 1 263.410 3.262 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000054824365 369507094 /nfs/dbraw/zinc/50/70/94/369507094.db2.gz HYQYUKNMTHXDIK-DGCLKSJQSA-N 1 1 279.181 3.231 10 30 CGEEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000154905015 371889042 /nfs/dbraw/zinc/88/90/42/371889042.db2.gz UHGCPWIBGVKBPW-CYBMUJFWSA-N 1 1 287.382 3.150 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC000160008537 372202683 /nfs/dbraw/zinc/20/26/83/372202683.db2.gz CSQOZQQLIZTQSM-GOSISDBHSA-N 1 1 297.377 3.019 10 30 CGEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N ZINC000247327567 377194537 /nfs/dbraw/zinc/19/45/37/377194537.db2.gz WQGWNLZEJXXNDV-WBVHZDCISA-N 1 1 297.446 3.156 10 30 CGEEMO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC000350358584 379540405 /nfs/dbraw/zinc/54/04/05/379540405.db2.gz QUZNUCQRXAENFQ-QXCFHYIPSA-N 1 1 297.446 3.321 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000189868835 130032740 /nfs/dbraw/zinc/03/27/40/130032740.db2.gz MTFGCNODNRWNOX-CXAGYDPISA-N 1 1 280.375 3.190 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124579084 392435646 /nfs/dbraw/zinc/43/56/46/392435646.db2.gz LJPWLGVJQZYYSK-XHSDSOJGSA-N 1 1 278.440 3.332 10 30 CGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000193285116 392874686 /nfs/dbraw/zinc/87/46/86/392874686.db2.gz FUBOLKJYKFLGOJ-KGLIPLIRSA-N 1 1 278.396 3.052 10 30 CGEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)c(Cl)c1 ZINC000092631274 165307055 /nfs/dbraw/zinc/30/70/55/165307055.db2.gz ICTAKZUSBVKGNN-CQSZACIVSA-N 1 1 277.799 3.132 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000246403177 279034999 /nfs/dbraw/zinc/03/49/99/279034999.db2.gz PKTWQXFABGTYHM-QAPCUYQASA-N 1 1 294.402 3.461 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000230686389 333320773 /nfs/dbraw/zinc/32/07/73/333320773.db2.gz VMVIHSPUXHLQMO-YPMHNXCESA-N 1 1 284.281 3.367 10 30 CGEEMO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000054825528 521376269 /nfs/dbraw/zinc/37/62/69/521376269.db2.gz CMOKZTWOOOJZKA-HOCLYGCPSA-N 1 1 258.365 3.257 10 30 CGEEMO C=C[C@H](CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000245633309 534673532 /nfs/dbraw/zinc/67/35/32/534673532.db2.gz IRVFKPZFXRLXDN-AEFFLSMTSA-N 1 1 298.430 3.043 10 30 CGEEMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091979107 640728312 /nfs/dbraw/zinc/72/83/12/640728312.db2.gz ACGAGSUFZDZATR-RBUKOAKNSA-N 1 1 299.414 3.232 10 30 CGEEMO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891669 345236090 /nfs/dbraw/zinc/23/60/90/345236090.db2.gz BFROKQXZPFKCTM-HOCLYGCPSA-N 1 1 258.365 3.257 10 30 CGEEMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116290199 232183762 /nfs/dbraw/zinc/18/37/62/232183762.db2.gz VWZPNGLCAMBJDB-OAHLLOKOSA-N 1 1 252.317 3.488 10 30 CGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@@H]1C#N ZINC000389858209 346573626 /nfs/dbraw/zinc/57/36/26/346573626.db2.gz DCGGZQMSNMPLSN-YSHGAJCASA-N 1 1 297.446 3.179 10 30 CGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@@H]1C#N ZINC000389858209 346573628 /nfs/dbraw/zinc/57/36/28/346573628.db2.gz DCGGZQMSNMPLSN-YSHGAJCASA-N 1 1 297.446 3.179 10 30 CGEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C(F)(F)F ZINC000599465969 347746929 /nfs/dbraw/zinc/74/69/29/347746929.db2.gz WTUZENJZKJVHMZ-ZYHUDNBSSA-N 1 1 283.297 3.272 10 30 CGEEMO Cc1cc(NC[C@H]2CCC[N@@H+]2CC(C)C)c(C#N)c(C)n1 ZINC000301772243 201188053 /nfs/dbraw/zinc/18/80/53/201188053.db2.gz LMQMUYRYADCCPE-OAHLLOKOSA-N 1 1 286.423 3.102 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1cccc(F)c1C#N ZINC000301777152 201190243 /nfs/dbraw/zinc/19/02/43/201190243.db2.gz PBRVHCXDAPVIIE-CYBMUJFWSA-N 1 1 275.371 3.230 10 30 CGEEMO C=CC[C@@H]1C[N@H+](C)CC[C@]1(OC(=O)CC)c1ccccc1 ZINC000002013499 368443553 /nfs/dbraw/zinc/44/35/53/368443553.db2.gz KGYFOSCXVAXULR-AEFFLSMTSA-N 1 1 287.403 3.363 10 30 in-man CGEEMO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1OC(F)F ZINC000061891026 369610574 /nfs/dbraw/zinc/61/05/74/369610574.db2.gz YHWJNWSBHFYQOE-RYUDHWBXSA-N 1 1 296.317 3.078 10 30 CGEEMO CC#CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248387878 377303016 /nfs/dbraw/zinc/30/30/16/377303016.db2.gz CDPMKONBYUWPIX-IAGOWNOFSA-N 1 1 275.367 3.127 10 30 CGEEMO N#CCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000371629550 379170594 /nfs/dbraw/zinc/17/05/94/379170594.db2.gz QBMSADRBYIBGDZ-MOPGFXCFSA-N 1 1 297.446 3.419 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000088766014 260001556 /nfs/dbraw/zinc/00/15/56/260001556.db2.gz ZKWFGJBLWIXRTO-NSHDSACASA-N 1 1 258.296 3.450 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052903958 392080163 /nfs/dbraw/zinc/08/01/63/392080163.db2.gz GSLSHAFGGAPRIL-LLVKDONJSA-N 1 1 263.772 3.108 10 30 CGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857571 392080474 /nfs/dbraw/zinc/08/04/74/392080474.db2.gz WLEFGAGMHVGUSX-CYBMUJFWSA-N 1 1 263.772 3.108 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000156007968 260777677 /nfs/dbraw/zinc/77/76/77/260777677.db2.gz WWUMTNWNFNUGGF-STQMWFEESA-N 1 1 250.292 3.406 10 30 CGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160836698 290221777 /nfs/dbraw/zinc/22/17/77/290221777.db2.gz BRLMTXQAJKRLQF-ZTFGCOKTSA-N 1 1 284.403 3.246 10 30 CGEEMO CC[C@H](CC#N)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183368 328690062 /nfs/dbraw/zinc/69/00/62/328690062.db2.gz UOHLNYLDJIJVNK-DGCLKSJQSA-N 1 1 292.379 3.055 10 30 CGEEMO CC[C@@H]([NH2+]Cc1cccnc1C#N)c1ccccc1 ZINC000061658803 522884353 /nfs/dbraw/zinc/88/43/53/522884353.db2.gz HHJFIQMSSCMGRM-OAHLLOKOSA-N 1 1 251.333 3.194 10 30 CGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000156420392 526687702 /nfs/dbraw/zinc/68/77/02/526687702.db2.gz KFVHVOUATKKOFU-CVEARBPZSA-N 1 1 282.343 3.022 10 30 CGEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179622585 618796742 /nfs/dbraw/zinc/79/67/42/618796742.db2.gz VQLFMOPVQHEAML-AWEZNQCLSA-N 1 1 297.320 3.473 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000054824366 369507371 /nfs/dbraw/zinc/50/73/71/369507371.db2.gz HYQYUKNMTHXDIK-YPMHNXCESA-N 1 1 279.181 3.231 10 30 CGEEMO COc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)ccc1OC(C)C ZINC000061891673 369610744 /nfs/dbraw/zinc/61/07/44/369610744.db2.gz WHPKCHRPZBEFRM-GJZGRUSLSA-N 1 1 288.391 3.264 10 30 CGEEMO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)ccc1OC(C)C ZINC000061891671 369610970 /nfs/dbraw/zinc/61/09/70/369610970.db2.gz WHPKCHRPZBEFRM-CABCVRRESA-N 1 1 288.391 3.264 10 30 CGEEMO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892110 369611081 /nfs/dbraw/zinc/61/10/81/369611081.db2.gz OYSQNHATSMHKKR-UKRRQHHQSA-N 1 1 256.349 3.033 10 30 CGEEMO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000159844547 372187125 /nfs/dbraw/zinc/18/71/25/372187125.db2.gz AAXUZUKVXJFLFH-LBPRGKRZSA-N 1 1 265.809 3.129 10 30 CGEEMO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000159844547 372187134 /nfs/dbraw/zinc/18/71/34/372187134.db2.gz AAXUZUKVXJFLFH-LBPRGKRZSA-N 1 1 265.809 3.129 10 30 CGEEMO C=CCC[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1 ZINC000180050259 373959160 /nfs/dbraw/zinc/95/91/60/373959160.db2.gz WSWNWCRLTSRFOA-OAHLLOKOSA-N 1 1 285.395 3.051 10 30 CGEEMO CCc1csc([C@@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000195379894 376099747 /nfs/dbraw/zinc/09/97/47/376099747.db2.gz NTMKIJZJFFMPEX-GFCCVEGCSA-N 1 1 263.410 3.189 10 30 CGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000193285094 392874562 /nfs/dbraw/zinc/87/45/62/392874562.db2.gz FUBOLKJYKFLGOJ-KBPBESRZSA-N 1 1 278.396 3.052 10 30 CGEEMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1ccc(C#N)cc1 ZINC000009998160 170394391 /nfs/dbraw/zinc/39/43/91/170394391.db2.gz QOUVFMDJMJRGDT-STQMWFEESA-N 1 1 256.349 3.004 10 30 CGEEMO C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656157 262377626 /nfs/dbraw/zinc/37/76/26/262377626.db2.gz KZYYGUKHQNJFPX-JCHJZTRSSA-N 1 1 297.446 3.179 10 30 CGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000459456243 331282186 /nfs/dbraw/zinc/28/21/86/331282186.db2.gz FOKYFMNEJJSPFE-DGCLKSJQSA-N 1 1 264.756 3.130 10 30 CGEEMO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000309539121 346469270 /nfs/dbraw/zinc/46/92/70/346469270.db2.gz KGMIJMIKOGTRDO-IEBWSBKVSA-N 1 1 297.446 3.323 10 30 CGEEMO CC(C)(C)[N@H+]1CCCOC[C@@H]1c1ccccc1C#N ZINC000616645164 348854855 /nfs/dbraw/zinc/85/48/55/348854855.db2.gz HGRWXCKDVGGFOF-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc(C#N)cc1F ZINC000301787232 201198505 /nfs/dbraw/zinc/19/85/05/201198505.db2.gz WSEQJOLMJPDOCY-CQSZACIVSA-N 1 1 275.371 3.230 10 30 CGEEMO CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892091 369610805 /nfs/dbraw/zinc/61/08/05/369610805.db2.gz MUOPBWCRSGPQMC-HIFRSBDPSA-N 1 1 258.365 3.256 10 30 CGEEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611018 370147713 /nfs/dbraw/zinc/14/77/13/370147713.db2.gz KDXCQWNUAWWGMK-HZPDHXFCSA-N 1 1 288.391 3.321 10 30 CGEEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611017 370148044 /nfs/dbraw/zinc/14/80/44/370148044.db2.gz KDXCQWNUAWWGMK-HOTGVXAUSA-N 1 1 288.391 3.321 10 30 CGEEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)o1 ZINC000230630304 376523914 /nfs/dbraw/zinc/52/39/14/376523914.db2.gz PXVWKFXRVRMENV-LLVKDONJSA-N 1 1 258.296 3.450 10 30 CGEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246760993 377086050 /nfs/dbraw/zinc/08/60/50/377086050.db2.gz PNJSILMPJAXASV-HUUCEWRRSA-N 1 1 290.407 3.497 10 30 CGEEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000247345828 377197334 /nfs/dbraw/zinc/19/73/34/377197334.db2.gz KTZVGINVEMYZNC-ZMSDIMECSA-N 1 1 297.402 3.317 10 30 CGEEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000151046572 392483543 /nfs/dbraw/zinc/48/35/43/392483543.db2.gz KTZVGINVEMYZNC-YQQAZPJKSA-N 1 1 297.402 3.317 10 30 CGEEMO C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656156 262377703 /nfs/dbraw/zinc/37/77/03/262377703.db2.gz KZYYGUKHQNJFPX-GDAAHCPNSA-N 1 1 297.446 3.179 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000054823380 327905291 /nfs/dbraw/zinc/90/52/91/327905291.db2.gz ARKOGSGQHFRVPX-AAEUAGOBSA-N 1 1 268.282 3.487 10 30 CGEEMO CSc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000336719435 335115319 /nfs/dbraw/zinc/11/53/19/335115319.db2.gz YFVKNTDNSRXNLF-ONGXEEELSA-N 1 1 252.408 3.252 10 30 CGEEMO CCCCCCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195065714 640564036 /nfs/dbraw/zinc/56/40/36/640564036.db2.gz OMDDHTUBMRHEFH-HNNXBMFYSA-N 1 1 266.429 3.044 10 30 CGEEMO C#CCCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245512513 640621966 /nfs/dbraw/zinc/62/19/66/640621966.db2.gz ACGAGSUFZDZATR-MOPGFXCFSA-N 1 1 299.414 3.232 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000595688010 347337457 /nfs/dbraw/zinc/33/74/57/347337457.db2.gz AWVQVCVVYRBWGS-AAEUAGOBSA-N 1 1 294.196 3.016 10 30 CGEEMO CC(C)(C)[N@H+]1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616599682 348841531 /nfs/dbraw/zinc/84/15/31/348841531.db2.gz YVWODSZXNXITKM-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900880 138353144 /nfs/dbraw/zinc/35/31/44/138353144.db2.gz IBPKMIPKISDFRI-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000105900880 138353146 /nfs/dbraw/zinc/35/31/46/138353146.db2.gz IBPKMIPKISDFRI-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891654 369611009 /nfs/dbraw/zinc/61/10/09/369611009.db2.gz HGEYXTOFJANDER-GDBMZVCRSA-N 1 1 256.349 3.033 10 30 CGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc(Cl)c1OC ZINC000061892200 369611239 /nfs/dbraw/zinc/61/12/39/369611239.db2.gz IRCKIPHRNKCRBH-WCQYABFASA-N 1 1 294.782 3.139 10 30 CGEEMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201473 370493205 /nfs/dbraw/zinc/49/32/05/370493205.db2.gz CQOLSIDOAHOGGJ-MRXNPFEDSA-N 1 1 266.348 3.009 10 30 CGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173646592 373170452 /nfs/dbraw/zinc/17/04/52/373170452.db2.gz FUYIDJAAXFNOOE-SUMWQHHRSA-N 1 1 280.375 3.190 10 30 CGEEMO CCCCCCCC[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192009150 375687691 /nfs/dbraw/zinc/68/76/91/375687691.db2.gz KDWOESAFRQIABC-INIZCTEOSA-N 1 1 298.471 3.218 10 30 CGEEMO CCCCCCCC[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192009150 375687693 /nfs/dbraw/zinc/68/76/93/375687693.db2.gz KDWOESAFRQIABC-INIZCTEOSA-N 1 1 298.471 3.218 10 30 CGEEMO CCCCCCCC[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192009150 375687698 /nfs/dbraw/zinc/68/76/98/375687698.db2.gz KDWOESAFRQIABC-INIZCTEOSA-N 1 1 298.471 3.218 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641625 375900239 /nfs/dbraw/zinc/90/02/39/375900239.db2.gz VBSRGXFVVLLUFD-QWHCGFSZSA-N 1 1 297.358 3.138 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000246004540 376952802 /nfs/dbraw/zinc/95/28/02/376952802.db2.gz KFVHVOUATKKOFU-JKSUJKDBSA-N 1 1 282.343 3.022 10 30 CGEEMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC1 ZINC000249518300 377511659 /nfs/dbraw/zinc/51/16/59/377511659.db2.gz KQVJBKMFFHPLAF-IAGOWNOFSA-N 1 1 298.430 3.294 10 30 CGEEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccc(Cl)cc1)C2 ZINC000000135868 169549475 /nfs/dbraw/zinc/54/94/75/169549475.db2.gz YWCITOKQUIKVEH-OKILXGFUSA-N 1 1 292.766 3.109 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160933783 262305267 /nfs/dbraw/zinc/30/52/67/262305267.db2.gz FIFFMLHYIUVZLA-MFKMUULPSA-N 1 1 252.720 3.261 10 30 CGEEMO C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1ccsc1 ZINC000036099616 391975931 /nfs/dbraw/zinc/97/59/31/391975931.db2.gz GZKBGBAIKLZQDY-MRXNPFEDSA-N 1 1 297.464 3.160 10 30 CGEEMO CC#CCC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000155333568 392540715 /nfs/dbraw/zinc/54/07/15/392540715.db2.gz PNXBUZFZCVITOH-ZDUSSCGKSA-N 1 1 262.422 3.298 10 30 CGEEMO COc1c(C)cc(C[N@@H+](C)CCCCC#N)cc1C ZINC000102401683 261235149 /nfs/dbraw/zinc/23/51/49/261235149.db2.gz FWHYLXLLEGFXOW-UHFFFAOYSA-N 1 1 260.381 3.438 10 30 CGEEMO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892111 262406104 /nfs/dbraw/zinc/40/61/04/262406104.db2.gz OYSQNHATSMHKKR-HIFRSBDPSA-N 1 1 256.349 3.033 10 30 CGEEMO C=CCc1cc(C[N@H+]2CCS[C@@H](C)C2)c(O)c(OC)c1 ZINC000164295707 622827323 /nfs/dbraw/zinc/82/73/23/622827323.db2.gz SYTHROFOLCINTP-LBPRGKRZSA-N 1 1 293.432 3.067 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc2ccccc21 ZINC000164967186 622852270 /nfs/dbraw/zinc/85/22/70/622852270.db2.gz AYPXNFWLQGNTMO-LRDDRELGSA-N 1 1 251.333 3.017 10 30 CGEEMO C#C[C@@H]([NH2+]CC)c1ccc(Cl)cc1Br ZINC000233577797 346330095 /nfs/dbraw/zinc/33/00/95/346330095.db2.gz ZHNPEVCXKGKRTC-LLVKDONJSA-N 1 1 272.573 3.386 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380901899 346557408 /nfs/dbraw/zinc/55/74/08/346557408.db2.gz RWBXJZGYGQVVHR-OTWHNJEPSA-N 1 1 297.446 3.323 10 30 CGEEMO N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380901899 346557410 /nfs/dbraw/zinc/55/74/10/346557410.db2.gz RWBXJZGYGQVVHR-OTWHNJEPSA-N 1 1 297.446 3.323 10 30 CGEEMO CC(C)(C)[N@H+]1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616650369 348856506 /nfs/dbraw/zinc/85/65/06/348856506.db2.gz YVWODSZXNXITKM-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000228490292 376438282 /nfs/dbraw/zinc/43/82/82/376438282.db2.gz XCXNMLNADKPSQI-CEXWTWQISA-N 1 1 283.415 3.054 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000245454885 376821567 /nfs/dbraw/zinc/82/15/67/376821567.db2.gz AGOSMEUQXNMTMN-PBHICJAKSA-N 1 1 271.408 3.035 10 30 CGEEMO C=CC[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000249288825 377486041 /nfs/dbraw/zinc/48/60/41/377486041.db2.gz USXVBVKMRGWNPE-ROUUACIJSA-N 1 1 298.430 3.043 10 30 CGEEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000092788144 165311594 /nfs/dbraw/zinc/31/15/94/165311594.db2.gz OERKEPIUQVPVRX-LBPRGKRZSA-N 1 1 287.388 3.296 10 30 CGEEMO CCCCCCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119780185 260647208 /nfs/dbraw/zinc/64/72/08/260647208.db2.gz GNZGYZMORPLSIM-WBVHZDCISA-N 1 1 292.467 3.432 10 30 CGEEMO N#CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161205952 261240449 /nfs/dbraw/zinc/24/04/49/261240449.db2.gz DSZBBNONJZCZLY-KBPBESRZSA-N 1 1 298.308 3.117 10 30 CGEEMO N#CCCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161205952 261240451 /nfs/dbraw/zinc/24/04/51/261240451.db2.gz DSZBBNONJZCZLY-KBPBESRZSA-N 1 1 298.308 3.117 10 30 CGEEMO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc(Cl)c1OC ZINC000061892199 262406198 /nfs/dbraw/zinc/40/61/98/262406198.db2.gz IRCKIPHRNKCRBH-YPMHNXCESA-N 1 1 294.782 3.139 10 30 CGEEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000249415192 293006696 /nfs/dbraw/zinc/00/66/96/293006696.db2.gz YXWCLEJRADHYBS-QAPCUYQASA-N 1 1 294.402 3.461 10 30 CGEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000086586012 330370299 /nfs/dbraw/zinc/37/02/99/330370299.db2.gz KEMUIMKOMLRMCF-DGCLKSJQSA-N 1 1 264.756 3.130 10 30 CGEEMO COc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)ccc1Cl ZINC000459456240 331282197 /nfs/dbraw/zinc/28/21/97/331282197.db2.gz FOKYFMNEJJSPFE-AAEUAGOBSA-N 1 1 264.756 3.130 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000061891164 333474896 /nfs/dbraw/zinc/47/48/96/333474896.db2.gz MIZSIXXKVLMLSI-WCQYABFASA-N 1 1 284.281 3.367 10 30 CGEEMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2Cl)C1 ZINC000062791024 519686881 /nfs/dbraw/zinc/68/68/81/519686881.db2.gz GARISFJPFHTUKK-ZDUSSCGKSA-N 1 1 277.799 3.354 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000164967070 622852596 /nfs/dbraw/zinc/85/25/96/622852596.db2.gz AYPXNFWLQGNTMO-BLLLJJGKSA-N 1 1 251.333 3.017 10 30 CGEEMO CCCCCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246806756 640693706 /nfs/dbraw/zinc/69/37/06/640693706.db2.gz DFCMWROPKFUTNJ-CABCVRRESA-N 1 1 268.445 3.192 10 30 CGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188397497 542247768 /nfs/dbraw/zinc/24/77/68/542247768.db2.gz YAMBQDALXQDXIW-QGZVFWFLSA-N 1 1 297.402 3.113 10 30 CGEEMO CC#CC[NH2+]Cc1ccc(Cl)cc1Br ZINC000160592090 346171627 /nfs/dbraw/zinc/17/16/27/346171627.db2.gz LEDJJBCWBHYFFT-UHFFFAOYSA-N 1 1 272.573 3.215 10 30 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CGEEMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440542 376103543 /nfs/dbraw/zinc/10/35/43/376103543.db2.gz PTTMHQRWXLGHDM-LLVKDONJSA-N 1 1 256.802 3.383 10 30 CGEEMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440542 376103548 /nfs/dbraw/zinc/10/35/48/376103548.db2.gz PTTMHQRWXLGHDM-LLVKDONJSA-N 1 1 256.802 3.383 10 30 CGEEMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000248231279 377281852 /nfs/dbraw/zinc/28/18/52/377281852.db2.gz KWMLVYNYFPPSJS-CQSZACIVSA-N 1 1 292.448 3.310 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253092728 377673000 /nfs/dbraw/zinc/67/30/00/377673000.db2.gz LJPWLGVJQZYYSK-ARFHVFGLSA-N 1 1 278.440 3.332 10 30 CGEEMO CC[N@H+]1CCC[C@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857569 392079533 /nfs/dbraw/zinc/07/95/33/392079533.db2.gz WLEFGAGMHVGUSX-ZDUSSCGKSA-N 1 1 263.772 3.108 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)o1 ZINC000182565268 392748092 /nfs/dbraw/zinc/74/80/92/392748092.db2.gz IFYIBRDKXHJNFM-ZDUSSCGKSA-N 1 1 257.308 3.429 10 30 CGEEMO CC[N@@H+](CC(=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000037337560 173138653 /nfs/dbraw/zinc/13/86/53/173138653.db2.gz USOAVIASQBNXRO-UHFFFAOYSA-N 1 1 256.349 3.005 10 30 CGEEMO N#Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329185782 227344593 /nfs/dbraw/zinc/34/45/93/227344593.db2.gz QIAXKLSKBRTHKF-INIZCTEOSA-N 1 1 297.402 3.074 10 30 CGEEMO Cc1csc([C@@H]2CCC[N@@H+](CCCSCC#N)C2)n1 ZINC000173876529 329153116 /nfs/dbraw/zinc/15/31/16/329153116.db2.gz PLSNAOYZXHLNER-CYBMUJFWSA-N 1 1 295.477 3.278 10 30 CGEEMO C#CCOc1ccc(Cl)cc1C[NH2+]Cc1ccco1 ZINC000045945914 330350045 /nfs/dbraw/zinc/35/00/45/330350045.db2.gz YMGWLXOFBKFRAB-UHFFFAOYSA-N 1 1 275.735 3.235 10 30 CGEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000235360090 333368509 /nfs/dbraw/zinc/36/85/09/333368509.db2.gz GHEPZSUPOSPAOS-HZPDHXFCSA-N 1 1 277.456 3.265 10 30 CGEEMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCC(C)(C)C#N ZINC000235360090 333368511 /nfs/dbraw/zinc/36/85/11/333368511.db2.gz GHEPZSUPOSPAOS-HZPDHXFCSA-N 1 1 277.456 3.265 10 30 CGEEMO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438276 640770220 /nfs/dbraw/zinc/77/02/20/640770220.db2.gz XKBFRFZDEPKCFO-GOSISDBHSA-N 1 1 295.386 3.149 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000054825858 345139312 /nfs/dbraw/zinc/13/93/12/345139312.db2.gz FDSNRSXJNRTDIB-WPRPVWTQSA-N 1 1 285.210 3.292 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114202209 283139485 /nfs/dbraw/zinc/13/94/85/283139485.db2.gz HZGBMWOVOGMRFR-MRXNPFEDSA-N 1 1 266.348 3.009 10 30 CGEEMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121824183 370899979 /nfs/dbraw/zinc/89/99/79/370899979.db2.gz NNZLQTAJHHMUKP-INIZCTEOSA-N 1 1 296.374 3.017 10 30 CGEEMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121824183 370899981 /nfs/dbraw/zinc/89/99/81/370899981.db2.gz NNZLQTAJHHMUKP-INIZCTEOSA-N 1 1 296.374 3.017 10 30 CGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891656 369610695 /nfs/dbraw/zinc/61/06/95/369610695.db2.gz HGEYXTOFJANDER-GOEBONIOSA-N 1 1 256.349 3.033 10 30 CGEEMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000118396051 370613410 /nfs/dbraw/zinc/61/34/10/370613410.db2.gz UZZZIWHFDNGSAB-CYBMUJFWSA-N 1 1 280.375 3.222 10 30 CGEEMO CC(C)(C#N)c1ccccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000135243317 371405752 /nfs/dbraw/zinc/40/57/52/371405752.db2.gz NLUWJKCIPJTEOB-QGZVFWFLSA-N 1 1 297.446 3.158 10 30 CGEEMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000135243317 371405753 /nfs/dbraw/zinc/40/57/53/371405753.db2.gz NLUWJKCIPJTEOB-QGZVFWFLSA-N 1 1 297.446 3.158 10 30 CGEEMO CC(C)(C#N)c1ccccc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000135243317 371405758 /nfs/dbraw/zinc/40/57/58/371405758.db2.gz NLUWJKCIPJTEOB-QGZVFWFLSA-N 1 1 297.446 3.158 10 30 CGEEMO C=C(C)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152882972 371732002 /nfs/dbraw/zinc/73/20/02/371732002.db2.gz QIPZFXPMPHZLFR-UHFFFAOYSA-N 1 1 297.402 3.035 10 30 CGEEMO C=CCCCCCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247523654 377219157 /nfs/dbraw/zinc/21/91/57/377219157.db2.gz ZGZPFCWVBWUNRB-JKSUJKDBSA-N 1 1 295.471 3.103 10 30 CGEEMO CC#CCC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248390503 377304274 /nfs/dbraw/zinc/30/42/74/377304274.db2.gz IFNJZAJHJPXNCS-XJKSGUPXSA-N 1 1 261.340 3.001 10 30 CGEEMO CC#CCC[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000248390503 377304278 /nfs/dbraw/zinc/30/42/78/377304278.db2.gz IFNJZAJHJPXNCS-XJKSGUPXSA-N 1 1 261.340 3.001 10 30 CGEEMO N#Cc1cccc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000301272857 392587278 /nfs/dbraw/zinc/58/72/78/392587278.db2.gz KSZFULVNPNUBAA-OAHLLOKOSA-N 1 1 284.407 3.162 10 30 CGEEMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000174839157 392647292 /nfs/dbraw/zinc/64/72/92/392647292.db2.gz MORDFEFEJLPVSL-HNNXBMFYSA-N 1 1 286.423 3.145 10 30 CGEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(Cl)cc1C#N ZINC000092631270 165305133 /nfs/dbraw/zinc/30/51/33/165305133.db2.gz AZCHKJMCVHRGCN-CQSZACIVSA-N 1 1 277.799 3.132 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000054823379 327905280 /nfs/dbraw/zinc/90/52/80/327905280.db2.gz ARKOGSGQHFRVPX-WCQYABFASA-N 1 1 268.282 3.487 10 30 CGEEMO CC#CCC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000155376874 327392205 /nfs/dbraw/zinc/39/22/05/327392205.db2.gz FBXSXZSNFDCJDW-INIZCTEOSA-N 1 1 257.377 3.252 10 30 CGEEMO CCCCCCCC[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000174545057 329159956 /nfs/dbraw/zinc/15/99/56/329159956.db2.gz PNYMAMIIXSZSCX-GOSISDBHSA-N 1 1 295.515 3.059 10 30 CGEEMO CCCCCCCC[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000174545057 329159957 /nfs/dbraw/zinc/15/99/57/329159957.db2.gz PNYMAMIIXSZSCX-GOSISDBHSA-N 1 1 295.515 3.059 10 30 CGEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCCCC#N)C2)c1 ZINC000177415298 329184135 /nfs/dbraw/zinc/18/41/35/329184135.db2.gz WZVLMIJZBLZOID-CQSZACIVSA-N 1 1 288.391 3.187 10 30 CGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000165468516 346184821 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C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1cnc2ccccc2c1 ZINC000247732320 131106165 /nfs/dbraw/zinc/10/61/65/131106165.db2.gz IOUONUMYEAYAAJ-GTYSZEQSSA-N 1 1 294.398 3.165 10 30 CGEEMO C=C(Br)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000364727794 260159872 /nfs/dbraw/zinc/15/98/72/260159872.db2.gz OXGLQMFFMIQDOA-CYBMUJFWSA-N 1 1 281.197 3.081 10 30 CGEEMO C=C(Br)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000364727794 260159874 /nfs/dbraw/zinc/15/98/74/260159874.db2.gz OXGLQMFFMIQDOA-CYBMUJFWSA-N 1 1 281.197 3.081 10 30 CGEEMO Cc1csc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000092790421 327195424 /nfs/dbraw/zinc/19/54/24/327195424.db2.gz RUQFTJMARPVFKT-CYBMUJFWSA-N 1 1 293.436 3.155 10 30 CGEEMO Cc1csc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)n1 ZINC000092790421 327195425 /nfs/dbraw/zinc/19/54/25/327195425.db2.gz RUQFTJMARPVFKT-CYBMUJFWSA-N 1 1 293.436 3.155 10 30 CGEEMO CCCCCCC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189334376 329379855 /nfs/dbraw/zinc/37/98/55/329379855.db2.gz 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ZINC000380901898 346557818 /nfs/dbraw/zinc/55/78/18/346557818.db2.gz RWBXJZGYGQVVHR-IPMKNSEASA-N 1 1 297.446 3.323 10 30 CGEEMO N#Cc1cccc2c1C[N@H+](C[C@H]1Cc3ccccc31)C2 ZINC000405150648 346602247 /nfs/dbraw/zinc/60/22/47/346602247.db2.gz QTXWGDAZVRLMLT-MRXNPFEDSA-N 1 1 260.340 3.214 10 30 CGEEMO N#Cc1cccc2c1C[N@@H+](C[C@H]1Cc3ccccc31)C2 ZINC000405150648 346602251 /nfs/dbraw/zinc/60/22/51/346602251.db2.gz QTXWGDAZVRLMLT-MRXNPFEDSA-N 1 1 260.340 3.214 10 30 CGEEMO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C#N ZINC000599264685 347730249 /nfs/dbraw/zinc/73/02/49/347730249.db2.gz PIYIHBVSHFSLRA-IAGOWNOFSA-N 1 1 270.376 3.010 10 30 CGEEMO Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C#N ZINC000599264685 347730253 /nfs/dbraw/zinc/73/02/53/347730253.db2.gz PIYIHBVSHFSLRA-IAGOWNOFSA-N 1 1 270.376 3.010 10 30 CGEEMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccco3)n2c1 ZINC000093335140 138345237 /nfs/dbraw/zinc/34/52/37/138345237.db2.gz JJVNFRQZRCSCJT-HNNXBMFYSA-N 1 1 292.342 3.136 10 30 CGEEMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccco3)n2c1 ZINC000093335140 138345239 /nfs/dbraw/zinc/34/52/39/138345239.db2.gz JJVNFRQZRCSCJT-HNNXBMFYSA-N 1 1 292.342 3.136 10 30 CGEEMO C=CCC[C@@H](O)C[N@H+](CCOC)Cc1cc(C)ccc1C ZINC000036031339 369007379 /nfs/dbraw/zinc/00/73/79/369007379.db2.gz NLLNCSPLOAIQKQ-GOSISDBHSA-N 1 1 291.435 3.079 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000192009919 375690462 /nfs/dbraw/zinc/69/04/62/375690462.db2.gz OMCQVSYRRHLCTQ-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000193333199 375862364 /nfs/dbraw/zinc/86/23/64/375862364.db2.gz JLRNZOHRLUNQFG-OAHLLOKOSA-N 1 1 277.412 3.379 10 30 CGEEMO C=C(C)C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195443155 376104250 /nfs/dbraw/zinc/10/42/50/376104250.db2.gz MCMHTHIRKWYUAL-LBPRGKRZSA-N 1 1 250.411 3.461 10 30 CGEEMO C=C(Cl)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247008271 377138760 /nfs/dbraw/zinc/13/87/60/377138760.db2.gz LLVSGFBJZQSGMI-NWDGAFQWSA-N 1 1 271.813 3.389 10 30 CGEEMO C=C(Cl)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247008271 377138767 /nfs/dbraw/zinc/13/87/67/377138767.db2.gz LLVSGFBJZQSGMI-NWDGAFQWSA-N 1 1 271.813 3.389 10 30 CGEEMO Cn1cc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)cn1 ZINC000277569561 379191000 /nfs/dbraw/zinc/19/10/00/379191000.db2.gz BFSZMIRCLFIBDO-OAHLLOKOSA-N 1 1 274.412 3.277 10 30 CGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000105896452 392295482 /nfs/dbraw/zinc/29/54/82/392295482.db2.gz LGYWTRIIIHGNPO-QGZVFWFLSA-N 1 1 294.402 3.154 10 30 CGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000105896453 392295561 /nfs/dbraw/zinc/29/55/61/392295561.db2.gz LGYWTRIIIHGNPO-KRWDZBQOSA-N 1 1 294.402 3.154 10 30 CGEEMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000253096867 131140259 /nfs/dbraw/zinc/14/02/59/131140259.db2.gz QWYCXCFNLYQXFB-KURKYZTESA-N 1 1 284.403 3.074 10 30 CGEEMO CCO[C@H]1C[C@H]([N@@H+](C)CCCCC#N)C12CCCC2 ZINC000121191846 392411133 /nfs/dbraw/zinc/41/11/33/392411133.db2.gz JGNODKIRCFMXBH-GJZGRUSLSA-N 1 1 264.413 3.350 10 30 CGEEMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC000371961084 392570618 /nfs/dbraw/zinc/57/06/18/392570618.db2.gz DQOKXORRZASDRH-AWEZNQCLSA-N 1 1 298.365 3.109 10 30 CGEEMO Cc1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961084 392570622 /nfs/dbraw/zinc/57/06/22/392570622.db2.gz DQOKXORRZASDRH-AWEZNQCLSA-N 1 1 298.365 3.109 10 30 CGEEMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000371961084 392570627 /nfs/dbraw/zinc/57/06/27/392570627.db2.gz DQOKXORRZASDRH-AWEZNQCLSA-N 1 1 298.365 3.109 10 30 CGEEMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000173876431 392630341 /nfs/dbraw/zinc/63/03/41/392630341.db2.gz KDFWTUQXDIEOGM-LBPRGKRZSA-N 1 1 281.450 3.317 10 30 CGEEMO C[C@@H]([NH2+]CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000020200031 171064075 /nfs/dbraw/zinc/06/40/75/171064075.db2.gz NGZZQZSCOHMRFT-SECBINFHSA-N 1 1 258.243 3.149 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000156007864 260777681 /nfs/dbraw/zinc/77/76/81/260777681.db2.gz WWUMTNWNFNUGGF-QWHCGFSZSA-N 1 1 250.292 3.406 10 30 CGEEMO CCCCC[N@@H+](CC[C@H](C#N)NC(C)C)C(C)C ZINC000062437257 520174109 /nfs/dbraw/zinc/17/41/09/520174109.db2.gz PCSNDGUPNDLWBA-OAHLLOKOSA-N 1 1 253.434 3.167 10 30 CGEEMO N#Cc1ncccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000061664553 526790270 /nfs/dbraw/zinc/79/02/70/526790270.db2.gz PZNXHEVGHUITJE-INIZCTEOSA-N 1 1 255.365 3.108 10 30 CGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192009345 536174105 /nfs/dbraw/zinc/17/41/05/536174105.db2.gz NLTKETZFESGXIG-GOSISDBHSA-N 1 1 293.414 3.134 10 30 CGEEMO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330166806 283056398 /nfs/dbraw/zinc/05/63/98/283056398.db2.gz YIPRLOXSBAZZKR-DZKIICNBSA-N 1 1 289.423 3.290 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)s1 ZINC000127608827 138390211 /nfs/dbraw/zinc/39/02/11/138390211.db2.gz TZCFXVQMKIFBHW-NSHDSACASA-N 1 1 289.429 3.456 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)s1 ZINC000127609085 138390294 /nfs/dbraw/zinc/39/02/94/138390294.db2.gz TZCFXVQMKIFBHW-LLVKDONJSA-N 1 1 289.429 3.456 10 30 CGEEMO C=CCC[C@H]([NH2+]Cc1nnnn1C(C)C)c1ccccc1 ZINC000180050244 373958756 /nfs/dbraw/zinc/95/87/56/373958756.db2.gz WSWNWCRLTSRFOA-HNNXBMFYSA-N 1 1 285.395 3.051 10 30 CGEEMO CC[N@H+]1CCC[C@H](Nc2c(Cl)cccc2C#N)C1 ZINC000180423355 374003991 /nfs/dbraw/zinc/00/39/91/374003991.db2.gz FOUJTGLRTHQGBS-LBPRGKRZSA-N 1 1 263.772 3.108 10 30 CGEEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641582 375901139 /nfs/dbraw/zinc/90/11/39/375901139.db2.gz VBSRGXFVVLLUFD-OLZOCXBDSA-N 1 1 297.358 3.138 10 30 CGEEMO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000062839091 329353145 /nfs/dbraw/zinc/35/31/45/329353145.db2.gz KKUUVBNJJSBEJR-CMPLNLGQSA-N 1 1 263.410 3.222 10 30 CGEEMO CCCCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000157944548 622989506 /nfs/dbraw/zinc/98/95/06/622989506.db2.gz YFSLDMCKYYTRDK-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000157944548 622989511 /nfs/dbraw/zinc/98/95/11/622989511.db2.gz YFSLDMCKYYTRDK-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000157944548 622989520 /nfs/dbraw/zinc/98/95/20/622989520.db2.gz YFSLDMCKYYTRDK-IAGOWNOFSA-N 1 1 284.488 3.124 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000610583140 348391117 /nfs/dbraw/zinc/39/11/17/348391117.db2.gz QTAXXKODHKGXQK-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cccc(C#N)c1 ZINC000610583140 348391121 /nfs/dbraw/zinc/39/11/21/348391121.db2.gz QTAXXKODHKGXQK-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cccc(C#N)c1 ZINC000610583140 348391124 /nfs/dbraw/zinc/39/11/24/348391124.db2.gz QTAXXKODHKGXQK-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253091986 283214362 /nfs/dbraw/zinc/21/43/62/283214362.db2.gz KJCVYTARFHCOAA-KURKYZTESA-N 1 1 284.403 3.074 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000120182133 370745519 /nfs/dbraw/zinc/74/55/19/370745519.db2.gz AXDZSTBXEPFYNX-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000120182133 370745521 /nfs/dbraw/zinc/74/55/21/370745521.db2.gz AXDZSTBXEPFYNX-MRXNPFEDSA-N 1 1 298.365 3.039 10 30 CGEEMO CCC[N@@H+](CCCC#N)[C@H]1CCc2c(O)cccc2C1 ZINC000027998017 368879931 /nfs/dbraw/zinc/87/99/31/368879931.db2.gz FOHUHYKENVAVAP-HNNXBMFYSA-N 1 1 272.392 3.265 10 30 CGEEMO CCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061892700 369610667 /nfs/dbraw/zinc/61/06/67/369610667.db2.gz AHUHGZBNIHFVDV-GOEBONIOSA-N 1 1 258.365 3.257 10 30 CGEEMO C=CCCCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000193371473 375870377 /nfs/dbraw/zinc/87/03/77/375870377.db2.gz JKYXAIVGNNGLAL-INIZCTEOSA-N 1 1 261.413 3.402 10 30 CGEEMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599351 377060726 /nfs/dbraw/zinc/06/07/26/377060726.db2.gz MMQXKNXPMKYQPI-DLBZAZTESA-N 1 1 296.370 3.239 10 30 CGEEMO Cc1cnc([C@H](C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000329483725 542447108 /nfs/dbraw/zinc/44/71/08/542447108.db2.gz FHAKTIMAVJKCPE-STQMWFEESA-N 1 1 279.384 3.265 10 30 CGEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000123114632 392425114 /nfs/dbraw/zinc/42/51/14/392425114.db2.gz LLULZEXHAFZROL-OAHLLOKOSA-N 1 1 274.412 3.158 10 30 CGEEMO C#Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000020595751 171264635 /nfs/dbraw/zinc/26/46/35/171264635.db2.gz CFWKFUMRDXSDSH-IBGZPJMESA-N 1 1 276.383 3.354 10 30 CGEEMO C[N@H+]1CCCC[C@H]1CNc1cccc(Cl)c1C#N ZINC000052904565 523800827 /nfs/dbraw/zinc/80/08/27/523800827.db2.gz LXQPUDIMODPVIZ-NSHDSACASA-N 1 1 263.772 3.108 10 30 CGEEMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245512514 640622013 /nfs/dbraw/zinc/62/20/13/640622013.db2.gz ACGAGSUFZDZATR-RTBURBONSA-N 1 1 299.414 3.232 10 30 CGEEMO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000054827366 345139863 /nfs/dbraw/zinc/13/98/63/345139863.db2.gz GWMOINAUZALRRB-RISCZKNCSA-N 1 1 250.292 3.137 10 30 CGEEMO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891667 345235916 /nfs/dbraw/zinc/23/59/16/345235916.db2.gz BFROKQXZPFKCTM-ZBFHGGJFSA-N 1 1 258.365 3.257 10 30 CGEEMO N#Cc1cccnc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068768670 345361660 /nfs/dbraw/zinc/36/16/60/345361660.db2.gz VELBSOMMRMXJNW-OAHLLOKOSA-N 1 1 284.407 3.162 10 30 CGEEMO CC[N@H+]1CC[C@H]([C@@](C#N)(c2ccccc2)c2cccnc2)C1 ZINC000584633490 346699749 /nfs/dbraw/zinc/69/97/49/346699749.db2.gz NDMOYDOOJSHJCQ-OALUTQOASA-N 1 1 291.398 3.233 10 30 CGEEMO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000595688011 347337256 /nfs/dbraw/zinc/33/72/56/347337256.db2.gz AWVQVCVVYRBWGS-DGCLKSJQSA-N 1 1 294.196 3.016 10 30 CGEEMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccccc1C#N ZINC000610583124 348391479 /nfs/dbraw/zinc/39/14/79/348391479.db2.gz QNFBEOJOHAYFBP-ROUUACIJSA-N 1 1 283.419 3.007 10 30 CGEEMO CC(C)(C)[N@H+]1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616686328 348867640 /nfs/dbraw/zinc/86/76/40/348867640.db2.gz IKMFXPSLNFOUAG-HNNXBMFYSA-N 1 1 258.365 3.120 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000054826339 369508009 /nfs/dbraw/zinc/50/80/09/369508009.db2.gz VQOMSSUGFNVQFN-WCQYABFASA-N 1 1 279.181 3.231 10 30 CGEEMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000054183366 369497197 /nfs/dbraw/zinc/49/71/97/369497197.db2.gz UOHLNYLDJIJVNK-WCQYABFASA-N 1 1 292.379 3.055 10 30 CGEEMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(F)c(F)c1 ZINC000061891208 369610584 /nfs/dbraw/zinc/61/05/84/369610584.db2.gz PYMFYTIKACZKQC-DRCTWCGVSA-N 1 1 250.292 3.308 10 30 CGEEMO C=CC[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000187200443 374986834 /nfs/dbraw/zinc/98/68/34/374986834.db2.gz USXVBVKMRGWNPE-MSOLQXFVSA-N 1 1 298.430 3.043 10 30 CGEEMO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@H]3C#N)ccc2n1 ZINC000097861649 541995124 /nfs/dbraw/zinc/99/51/24/541995124.db2.gz YOGZSAWRLCJKNN-HOTGVXAUSA-N 1 1 265.360 3.325 10 30 CGEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1C(C)(C)C#N ZINC000247327556 377194270 /nfs/dbraw/zinc/19/42/70/377194270.db2.gz WQGWNLZEJXXNDV-RDJZCZTQSA-N 1 1 297.446 3.156 10 30 CGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247046209 377146775 /nfs/dbraw/zinc/14/67/75/377146775.db2.gz OGSPJZYXGLPXHH-GJZGRUSLSA-N 1 1 288.391 3.006 10 30 CGEEMO CCCCCCCC[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000174545041 329159934 /nfs/dbraw/zinc/15/99/34/329159934.db2.gz PNYMAMIIXSZSCX-SFHVURJKSA-N 1 1 295.515 3.059 10 30 CGEEMO CCCCCCCC[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000174545041 329159935 /nfs/dbraw/zinc/15/99/35/329159935.db2.gz PNYMAMIIXSZSCX-SFHVURJKSA-N 1 1 295.515 3.059 10 30 CGEEMO C=C(C)C[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000177409074 329184016 /nfs/dbraw/zinc/18/40/16/329184016.db2.gz KCTNYJJIDLXIEY-CYBMUJFWSA-N 1 1 261.365 3.069 10 30 CGEEMO CC(C)(C)c1ncc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000062839092 329353126 /nfs/dbraw/zinc/35/31/26/329353126.db2.gz KKUUVBNJJSBEJR-JQWIXIFHSA-N 1 1 263.410 3.222 10 30 CGEEMO CC(C)C[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055481971 519772602 /nfs/dbraw/zinc/77/26/02/519772602.db2.gz DMRKNNCSSLAQGM-CQSZACIVSA-N 1 1 260.381 3.303 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000164966843 622852430 /nfs/dbraw/zinc/85/24/30/622852430.db2.gz AYPXNFWLQGNTMO-MLGOLLRUSA-N 1 1 251.333 3.017 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000124627747 187146709 /nfs/dbraw/zinc/14/67/09/187146709.db2.gz IUJLHIOJVQFFFB-KSZLIROESA-N 1 1 284.403 3.074 10 30 CGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152399261 346141293 /nfs/dbraw/zinc/14/12/93/346141293.db2.gz MZJFFOWALINYLD-KSSFIOAISA-N 1 1 293.370 3.168 10 30 CGEEMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccccc1C#N ZINC000610583123 348391044 /nfs/dbraw/zinc/39/10/44/348391044.db2.gz QNFBEOJOHAYFBP-QZTJIDSGSA-N 1 1 283.419 3.007 10 30 CGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626627 283065376 /nfs/dbraw/zinc/06/53/76/283065376.db2.gz XAGGLINXXWFZAW-MFKMUULPSA-N 1 1 268.282 3.487 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626625 283066102 /nfs/dbraw/zinc/06/61/02/283066102.db2.gz XAGGLINXXWFZAW-ZWNOBZJWSA-N 1 1 268.282 3.487 10 30 CGEEMO C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012327579 368608326 /nfs/dbraw/zinc/60/83/26/368608326.db2.gz ZOGWFIVMMLMXPF-CYBMUJFWSA-N 1 1 278.783 3.090 10 30 CGEEMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)c(F)c1 ZINC000061891210 369611218 /nfs/dbraw/zinc/61/12/18/369611218.db2.gz PYMFYTIKACZKQC-PXWWUCIGSA-N 1 1 250.292 3.308 10 30 CGEEMO Cn1cc(C[N@H+]2CC=C(c3ccccc3F)CC2)cc1C#N ZINC000191501369 375635472 /nfs/dbraw/zinc/63/54/72/375635472.db2.gz AJSRTMYYFXJXMI-UHFFFAOYSA-N 1 1 295.361 3.325 10 30 CGEEMO Cn1cc(C[N@@H+]2CC=C(c3ccccc3F)CC2)cc1C#N ZINC000191501369 375635473 /nfs/dbraw/zinc/63/54/73/375635473.db2.gz AJSRTMYYFXJXMI-UHFFFAOYSA-N 1 1 295.361 3.325 10 30 CGEEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)o1 ZINC000193641615 375900037 /nfs/dbraw/zinc/90/00/37/375900037.db2.gz VBSRGXFVVLLUFD-CHWSQXEVSA-N 1 1 297.358 3.138 10 30 CGEEMO C[C@H](C#N)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000235147355 376632302 /nfs/dbraw/zinc/63/23/02/376632302.db2.gz RYZQMFFCMOJDNX-NOZJJQNGSA-N 1 1 279.181 3.186 10 30 CGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000246061833 376957632 /nfs/dbraw/zinc/95/76/32/376957632.db2.gz RHRYCUIKNXNMQF-JKSUJKDBSA-N 1 1 298.411 3.490 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CC[C@@H](O)c3ccccc3C2)c(F)c1 ZINC000373124033 379226504 /nfs/dbraw/zinc/22/65/04/379226504.db2.gz JWQJXBRSUUHNMO-GOSISDBHSA-N 1 1 296.345 3.137 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c(F)c1 ZINC000373124033 379226512 /nfs/dbraw/zinc/22/65/12/379226512.db2.gz JWQJXBRSUUHNMO-GOSISDBHSA-N 1 1 296.345 3.137 10 30 CGEEMO C=CCCC[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000121736238 392415958 /nfs/dbraw/zinc/41/59/58/392415958.db2.gz FVSVRTLBLYVFHQ-UHFFFAOYSA-N 1 1 287.363 3.143 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(Cl)cc1C#N ZINC000092631272 165308114 /nfs/dbraw/zinc/30/81/14/165308114.db2.gz AZCHKJMCVHRGCN-AWEZNQCLSA-N 1 1 277.799 3.132 10 30 CGEEMO CCO[C@@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791697 176263621 /nfs/dbraw/zinc/26/36/21/176263621.db2.gz VTRLAFZROKKXDX-IQFISFIMSA-N 1 1 252.317 3.248 10 30 CGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187698278 290246893 /nfs/dbraw/zinc/24/68/93/290246893.db2.gz WYJMPFMOSJBANW-ZTFGCOKTSA-N 1 1 284.403 3.246 10 30 CGEEMO CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000329215455 528231759 /nfs/dbraw/zinc/23/17/59/528231759.db2.gz MRZPTZTYDNVSBB-KGLIPLIRSA-N 1 1 295.427 3.107 10 30 CGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000229149475 346316245 /nfs/dbraw/zinc/31/62/45/346316245.db2.gz CEXKZAGHGJJURP-IAGOWNOFSA-N 1 1 270.376 3.010 10 30 CGEEMO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885361 346323866 /nfs/dbraw/zinc/32/38/66/346323866.db2.gz LFJKTVOTPNIMRI-OCCSQVGLSA-N 1 1 273.336 3.075 10 30 CGEEMO CCCCCCCC[N@H+]1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640022 346702391 /nfs/dbraw/zinc/70/23/91/346702391.db2.gz CMZVBDIZJOBXPR-MRXNPFEDSA-N 1 1 295.471 3.179 10 30 CGEEMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000135025531 371384010 /nfs/dbraw/zinc/38/40/10/371384010.db2.gz WPWYVJHCLGKWSR-PBHICJAKSA-N 1 1 289.423 3.211 10 30 CGEEMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000135025499 371385106 /nfs/dbraw/zinc/38/51/06/371385106.db2.gz WPWYVJHCLGKWSR-RHSMWYFYSA-N 1 1 289.423 3.211 10 30 CGEEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652117 374373310 /nfs/dbraw/zinc/37/33/10/374373310.db2.gz JXJIIFULVSUHQF-UONOGXRCSA-N 1 1 295.427 3.107 10 30 CGEEMO C=CCC[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000189147321 375332563 /nfs/dbraw/zinc/33/25/63/375332563.db2.gz QNXTYJIJPDWMOR-QZTJIDSGSA-N 1 1 298.430 3.043 10 30 CGEEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC(C)(C)C#N ZINC000245408955 376809579 /nfs/dbraw/zinc/80/95/79/376809579.db2.gz JWQKHSIJACUMLR-ILXRZTDVSA-N 1 1 292.423 3.122 10 30 CGEEMO Cc1cc(N(CCC#N)C2CC2)c2ccccc2[nH+]1 ZINC000042549469 174789484 /nfs/dbraw/zinc/78/94/84/174789484.db2.gz BEOUWSCPDGZGIP-UHFFFAOYSA-N 1 1 251.333 3.426 10 30 CGEEMO CCO[C@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000071791698 176263227 /nfs/dbraw/zinc/26/32/27/176263227.db2.gz VTRLAFZROKKXDX-YAJBTMAUSA-N 1 1 252.317 3.248 10 30 CGEEMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000300119222 261175825 /nfs/dbraw/zinc/17/58/25/261175825.db2.gz CQWJPTFYKTWAKC-CABCVRRESA-N 1 1 264.413 3.350 10 30 CGEEMO Cc1cc(C[NH2+]CC(C)(C)C#N)sc1Br ZINC000134975474 334110322 /nfs/dbraw/zinc/11/03/22/334110322.db2.gz SAPSJJYHVFDUET-UHFFFAOYSA-N 1 1 287.226 3.458 10 30 CGEEMO N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000346831847 335371067 /nfs/dbraw/zinc/37/10/67/335371067.db2.gz MAOGFNUFIMJOKM-AYHJJNSGSA-N 1 1 283.419 3.075 10 30 CGEEMO N#CCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000346831847 335371069 /nfs/dbraw/zinc/37/10/69/335371069.db2.gz MAOGFNUFIMJOKM-AYHJJNSGSA-N 1 1 283.419 3.075 10 30 CGEEMO N#CCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000346831847 335371071 /nfs/dbraw/zinc/37/10/71/335371071.db2.gz MAOGFNUFIMJOKM-AYHJJNSGSA-N 1 1 283.419 3.075 10 30 CGEEMO C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000192910214 526715377 /nfs/dbraw/zinc/71/53/77/526715377.db2.gz ALTDIPCUSNCUAG-YQQQUEKLSA-N 1 1 282.431 3.185 10 30 CGEEMO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284935 529332917 /nfs/dbraw/zinc/33/29/17/529332917.db2.gz YEADZLFMZHYQIV-SNVBAGLBSA-N 1 1 298.289 3.080 10 30 CGEEMO CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000330284935 529332918 /nfs/dbraw/zinc/33/29/18/529332918.db2.gz YEADZLFMZHYQIV-SNVBAGLBSA-N 1 1 298.289 3.080 10 30 CGEEMO CCCCCCCC[N@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247145747 617836966 /nfs/dbraw/zinc/83/69/66/617836966.db2.gz YFSLDMCKYYTRDK-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247145747 617836967 /nfs/dbraw/zinc/83/69/67/617836967.db2.gz YFSLDMCKYYTRDK-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CCCCCCCCN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247145747 617836970 /nfs/dbraw/zinc/83/69/70/617836970.db2.gz YFSLDMCKYYTRDK-DLBZAZTESA-N 1 1 284.488 3.124 10 30 CGEEMO CC(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000232577453 619293114 /nfs/dbraw/zinc/29/31/14/619293114.db2.gz KDKMRUOIUQKGOH-CQSZACIVSA-N 1 1 250.386 3.007 10 30 CGEEMO CCCCCCC[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000157992338 639997069 /nfs/dbraw/zinc/99/70/69/639997069.db2.gz BSVWDWPZWKQCDB-KRWDZBQOSA-N 1 1 293.455 3.171 10 30 CGEEMO O=C(C[NH+]=C1CCc2ccccc2N1)c1ccccc1 ZINC000048554765 345068225 /nfs/dbraw/zinc/06/82/25/345068225.db2.gz CZOXPHIPOQXEFO-UHFFFAOYSA-N 1 1 264.328 3.326 10 30 CGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000229149493 346316496 /nfs/dbraw/zinc/31/64/96/346316496.db2.gz CEXKZAGHGJJURP-SJORKVTESA-N 1 1 270.376 3.010 10 30 CGEEMO CC(C)(C)[N@H+]1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616599329 348841455 /nfs/dbraw/zinc/84/14/55/348841455.db2.gz SYSJSIZPJUEVCT-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO CC(C)(C)[N@H+]1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666136 348859689 /nfs/dbraw/zinc/85/96/89/348859689.db2.gz IKMFXPSLNFOUAG-OAHLLOKOSA-N 1 1 258.365 3.120 10 30 CGEEMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116289130 138365932 /nfs/dbraw/zinc/36/59/32/138365932.db2.gz IYDJVRHNJSHMHD-INIZCTEOSA-N 1 1 282.343 3.367 10 30 CGEEMO CC[N@H+]1CCc2c(cccc2Nc2ccc(C#N)cn2)C1 ZINC000301718707 201156896 /nfs/dbraw/zinc/15/68/96/201156896.db2.gz YXGBVPMIIFBRIB-UHFFFAOYSA-N 1 1 278.359 3.075 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626785 369604480 /nfs/dbraw/zinc/60/44/80/369604480.db2.gz GAVXMSFENQKSKF-WCQYABFASA-N 1 1 268.282 3.487 10 30 CGEEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCC2 ZINC000093611019 370148353 /nfs/dbraw/zinc/14/83/53/370148353.db2.gz KDXCQWNUAWWGMK-CVEARBPZSA-N 1 1 288.391 3.321 10 30 CGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116298966 370554870 /nfs/dbraw/zinc/55/48/70/370554870.db2.gz NUXPDHCJOKCOTD-HNNXBMFYSA-N 1 1 252.317 3.488 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccccc1C(C)(C)C#N ZINC000135269213 371407991 /nfs/dbraw/zinc/40/79/91/371407991.db2.gz FXSFGQFOBPRRQZ-KRWDZBQOSA-N 1 1 299.462 3.404 10 30 CGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000253090884 131139933 /nfs/dbraw/zinc/13/99/33/131139933.db2.gz IUJLHIOJVQFFFB-RCCFBDPRSA-N 1 1 284.403 3.074 10 30 CGEEMO CC#CC[NH2+][C@@H](C)c1ccccc1Br ZINC000088162702 260278627 /nfs/dbraw/zinc/27/86/27/260278627.db2.gz QKPAONOKZIUAEM-JTQLQIEISA-N 1 1 252.155 3.123 10 30 CGEEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)C12CCCC2 ZINC000174172932 329155063 /nfs/dbraw/zinc/15/50/63/329155063.db2.gz OAJMNFNOQUUAPO-LSDHHAIUSA-N 1 1 296.480 3.303 10 30 CGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174851128 329164050 /nfs/dbraw/zinc/16/40/50/329164050.db2.gz OJPXKWOBWZHTGZ-OAHLLOKOSA-N 1 1 288.439 3.412 10 30 CGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000230686397 333320825 /nfs/dbraw/zinc/32/08/25/333320825.db2.gz VMVIHSPUXHLQMO-DGCLKSJQSA-N 1 1 284.281 3.367 10 30 CGEEMO CCCCCCC[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190735862 640264530 /nfs/dbraw/zinc/26/45/30/640264530.db2.gz AKYPOBUNMZAZSH-MRXNPFEDSA-N 1 1 279.428 3.247 10 30 CGEEMO CCCCCCC[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190735862 640264539 /nfs/dbraw/zinc/26/45/39/640264539.db2.gz AKYPOBUNMZAZSH-MRXNPFEDSA-N 1 1 279.428 3.247 10 30 CGEEMO Cc1c(C[NH2+][C@H]2CCCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000231885364 346323600 /nfs/dbraw/zinc/32/36/00/346323600.db2.gz LFJKTVOTPNIMRI-JSGCOSHPSA-N 1 1 273.336 3.075 10 30 CGEEMO CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119780089 370708948 /nfs/dbraw/zinc/70/89/48/370708948.db2.gz GNZGYZMORPLSIM-NVXWUHKLSA-N 1 1 292.467 3.432 10 30 CGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000122964267 370908562 /nfs/dbraw/zinc/90/85/62/370908562.db2.gz ZMCQOFLTSRMKHP-HNNXBMFYSA-N 1 1 288.439 3.412 10 30 CGEEMO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891655 369610497 /nfs/dbraw/zinc/61/04/97/369610497.db2.gz HGEYXTOFJANDER-ZBFHGGJFSA-N 1 1 256.349 3.033 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000061891764 369611290 /nfs/dbraw/zinc/61/12/90/369611290.db2.gz LROPSNSHVZYUEG-GZMMTYOYSA-N 1 1 285.210 3.292 10 30 CGEEMO CC1(C)CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000102930803 370315878 /nfs/dbraw/zinc/31/58/78/370315878.db2.gz IZVLLGKYFOIXSI-UHFFFAOYSA-N 1 1 291.782 3.025 10 30 CGEEMO CCCCCCC[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000157750080 372035807 /nfs/dbraw/zinc/03/58/07/372035807.db2.gz OGMZCCHOEDZPTR-HNNXBMFYSA-N 1 1 278.444 3.448 10 30 CGEEMO C=CCC[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000189147296 375332522 /nfs/dbraw/zinc/33/25/22/375332522.db2.gz QNXTYJIJPDWMOR-MSOLQXFVSA-N 1 1 298.430 3.043 10 30 CGEEMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000245398419 376806557 /nfs/dbraw/zinc/80/65/57/376806557.db2.gz SOKUBVRAZYQGAB-DOTOQJQBSA-N 1 1 297.402 3.151 10 30 CGEEMO CC[N@H+]1CCC[C@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052903956 392080188 /nfs/dbraw/zinc/08/01/88/392080188.db2.gz GSLSHAFGGAPRIL-NSHDSACASA-N 1 1 263.772 3.108 10 30 CGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000186294197 392780517 /nfs/dbraw/zinc/78/05/17/392780517.db2.gz RZDKJBVZUUCFIT-KRWDZBQOSA-N 1 1 280.375 3.317 10 30 CGEEMO N#Cc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000020136205 171024104 /nfs/dbraw/zinc/02/41/04/171024104.db2.gz DGBBRIAXDMTCQE-UHFFFAOYSA-N 1 1 279.368 3.458 10 30 CGEEMO CCSc1nc2c(c(-c3ccco3)c1C#N)C[N@@H+](C)CC2 ZINC000040569912 174338591 /nfs/dbraw/zinc/33/85/91/174338591.db2.gz VPQCAMXPCSSVCS-UHFFFAOYSA-N 1 1 299.399 3.313 10 30 CGEEMO C=CCC[C@@H]([NH2+]Cc1nnc(CC)n1C)c1ccccc1 ZINC000180035760 264390276 /nfs/dbraw/zinc/39/02/76/264390276.db2.gz FXDACWNLEIBGJE-OAHLLOKOSA-N 1 1 284.407 3.175 10 30 CGEEMO CCN1CCC[C@H]1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000233510562 333353073 /nfs/dbraw/zinc/35/30/73/333353073.db2.gz WTCJMNXJVGGDAI-HNNXBMFYSA-N 1 1 265.445 3.123 10 30 CGEEMO CC[N@@H+]1CCC[C@H]1CN(C)CCCCC(C)(C)C#N ZINC000233510562 333353074 /nfs/dbraw/zinc/35/30/74/333353074.db2.gz WTCJMNXJVGGDAI-HNNXBMFYSA-N 1 1 265.445 3.123 10 30 CGEEMO CC[N@H+]1CCC[C@H]1CN(C)CCCCC(C)(C)C#N ZINC000233510562 333353076 /nfs/dbraw/zinc/35/30/76/333353076.db2.gz WTCJMNXJVGGDAI-HNNXBMFYSA-N 1 1 265.445 3.123 10 30 CGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000061891980 518196460 /nfs/dbraw/zinc/19/64/60/518196460.db2.gz PEKFFYVSBGTLJV-VHSXEESVSA-N 1 1 285.210 3.292 10 30 CGEEMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C#N)s1 ZINC000061658238 525930265 /nfs/dbraw/zinc/93/02/65/525930265.db2.gz JGLBGLWKWCWEGK-NSHDSACASA-N 1 1 257.362 3.174 10 30 CGEEMO