smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+](CC1CCCCC1)CC1CC[NH+](C)CC1 ZINC001308635729 933148317 /nfs/dbraw/zinc/14/83/17/933148317.db2.gz WJKWPKBXERAJHQ-UHFFFAOYSA-N 2 1 264.457 3.397 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC001560488753 938260242 /nfs/dbraw/zinc/26/02/42/938260242.db2.gz QPMDFOKKPLVQDV-IAGOWNOFSA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC001560488753 938260244 /nfs/dbraw/zinc/26/02/44/938260244.db2.gz QPMDFOKKPLVQDV-IAGOWNOFSA-N 2 1 264.457 3.136 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC001576598276 962473255 /nfs/dbraw/zinc/47/32/55/962473255.db2.gz LKQRSRUJGCSVPC-QAPCUYQASA-N 2 1 285.435 3.157 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000651720394 398275750 /nfs/dbraw/zinc/27/57/50/398275750.db2.gz YFQBMSXVTSPPIP-HZPDHXFCSA-N 2 1 261.413 3.306 20 30 CGEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201771 /nfs/dbraw/zinc/20/17/71/347201771.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201774 /nfs/dbraw/zinc/20/17/74/347201774.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201778 /nfs/dbraw/zinc/20/17/78/347201778.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201781 /nfs/dbraw/zinc/20/17/81/347201781.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514729 347184561 /nfs/dbraw/zinc/18/45/61/347184561.db2.gz LCMOTHRWPMEIHR-PBHICJAKSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514729 347184566 /nfs/dbraw/zinc/18/45/66/347184566.db2.gz LCMOTHRWPMEIHR-PBHICJAKSA-N 2 1 283.419 3.010 20 30 CGEDMP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000599300796 347733600 /nfs/dbraw/zinc/73/36/00/347733600.db2.gz WUUAANHOCKJWSB-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000599300796 347733603 /nfs/dbraw/zinc/73/36/03/347733603.db2.gz WUUAANHOCKJWSB-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N ZINC000599300796 347733607 /nfs/dbraw/zinc/73/36/07/347733607.db2.gz WUUAANHOCKJWSB-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000599300796 347733610 /nfs/dbraw/zinc/73/36/10/347733610.db2.gz WUUAANHOCKJWSB-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736948 /nfs/dbraw/zinc/73/69/48/347736948.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736951 /nfs/dbraw/zinc/73/69/51/347736951.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736953 /nfs/dbraw/zinc/73/69/53/347736953.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000602645511 348000051 /nfs/dbraw/zinc/00/00/51/348000051.db2.gz JNEUPNLKQZKPOJ-DOTOQJQBSA-N 2 1 277.456 3.313 20 30 CGEDMP N#CCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000602772650 348026660 /nfs/dbraw/zinc/02/66/60/348026660.db2.gz MKBGQNMBOJMZLO-KRWDZBQOSA-N 2 1 289.467 3.268 20 30 CGEDMP N#CCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000602772650 348026661 /nfs/dbraw/zinc/02/66/61/348026661.db2.gz MKBGQNMBOJMZLO-KRWDZBQOSA-N 2 1 289.467 3.268 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000609133552 348336863 /nfs/dbraw/zinc/33/68/63/348336863.db2.gz UTFYRSHNJYZEDH-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619672606 349269043 /nfs/dbraw/zinc/26/90/43/349269043.db2.gz KRJQPYXKJBPURQ-GUDVDZBRSA-N 2 1 297.446 3.180 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755521 349282311 /nfs/dbraw/zinc/28/23/11/349282311.db2.gz KGXLQPLMMWTNHU-UHFFFAOYSA-N 2 1 291.826 3.174 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2CC)CC1 ZINC000628212174 350442202 /nfs/dbraw/zinc/44/22/02/350442202.db2.gz QPMPTLAOLAHHKM-HZPDHXFCSA-N 2 1 264.457 3.443 20 30 CGEDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174250235 188888423 /nfs/dbraw/zinc/88/84/23/188888423.db2.gz TYZGHISFCJKLAI-UHFFFAOYSA-N 2 1 297.402 3.283 20 30 CGEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103674 189346577 /nfs/dbraw/zinc/34/65/77/189346577.db2.gz HEVIFHPXPVFQMY-CRAIPNDOSA-N 2 1 297.446 3.301 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275780522 193126454 /nfs/dbraw/zinc/12/64/54/193126454.db2.gz WDBFSKUISXRMCB-NVXWUHKLSA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275780522 193126455 /nfs/dbraw/zinc/12/64/55/193126455.db2.gz WDBFSKUISXRMCB-NVXWUHKLSA-N 2 1 258.409 3.205 20 30 CGEDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265119 296153382 /nfs/dbraw/zinc/15/33/82/296153382.db2.gz QRVLVVITVQFYIR-PXAZEXFGSA-N 2 1 289.398 3.256 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092565247 370097821 /nfs/dbraw/zinc/09/78/21/370097821.db2.gz GXUMJEHTHSQBEM-HUUCEWRRSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287741919 371701366 /nfs/dbraw/zinc/70/13/66/371701366.db2.gz YVGJCWHCEIINIQ-RLFYNMQTSA-N 2 1 288.435 3.070 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000153042064 371745875 /nfs/dbraw/zinc/74/58/75/371745875.db2.gz YBFLMQOQCKTTNJ-INIZCTEOSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163334866 372461964 /nfs/dbraw/zinc/46/19/64/372461964.db2.gz FZGKBPWTUCLODN-INIZCTEOSA-N 2 1 272.436 3.248 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764293 373076111 /nfs/dbraw/zinc/07/61/11/373076111.db2.gz HTTBNLGAQQWHPC-KURKYZTESA-N 2 1 289.467 3.313 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185821355 374744734 /nfs/dbraw/zinc/74/47/34/374744734.db2.gz BOUUWYXAQLWJJJ-MAUKXSAKSA-N 2 1 285.435 3.310 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510735434 375788139 /nfs/dbraw/zinc/78/81/39/375788139.db2.gz ORJLJSHVUVTIAH-IAGOWNOFSA-N 2 1 262.441 3.195 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(C#N)c1 ZINC000230713906 376540584 /nfs/dbraw/zinc/54/05/84/376540584.db2.gz FWPTVJYEDXEQCL-UHFFFAOYSA-N 2 1 273.424 3.112 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000230713906 376540596 /nfs/dbraw/zinc/54/05/96/376540596.db2.gz FWPTVJYEDXEQCL-UHFFFAOYSA-N 2 1 273.424 3.112 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248722418 377387579 /nfs/dbraw/zinc/38/75/79/377387579.db2.gz CKZLOLWNUCCUEM-QZTJIDSGSA-N 2 1 285.435 3.180 20 30 CGEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298215 379338676 /nfs/dbraw/zinc/33/86/76/379338676.db2.gz RPEHNRFVWVXLHO-QGZVFWFLSA-N 2 1 273.424 3.329 20 30 CGEDMP C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000411281447 380139169 /nfs/dbraw/zinc/13/91/69/380139169.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCC1(C#N)CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000411281447 380139174 /nfs/dbraw/zinc/13/91/74/380139174.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCC1(C#N)CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000411281447 380139179 /nfs/dbraw/zinc/13/91/79/380139179.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358326221 381302814 /nfs/dbraw/zinc/30/28/14/381302814.db2.gz ZMKYBUVKBCVUMD-YQQAZPJKSA-N 2 1 258.409 3.204 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358326221 381302822 /nfs/dbraw/zinc/30/28/22/381302822.db2.gz ZMKYBUVKBCVUMD-YQQAZPJKSA-N 2 1 258.409 3.204 20 30 CGEDMP C=C(CC)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000358749416 381325593 /nfs/dbraw/zinc/32/55/93/381325593.db2.gz ZLRYWMOUFWCHCO-UHFFFAOYSA-N 2 1 282.472 3.023 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453381905 542682346 /nfs/dbraw/zinc/68/23/46/542682346.db2.gz XYJLVJXQGZUWOK-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453381905 542682348 /nfs/dbraw/zinc/68/23/48/542682348.db2.gz XYJLVJXQGZUWOK-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000359224366 393541299 /nfs/dbraw/zinc/54/12/99/393541299.db2.gz SJIHONAXJNZMES-UHFFFAOYSA-N 2 1 288.435 3.073 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360840255 393595362 /nfs/dbraw/zinc/59/53/62/393595362.db2.gz MQTCYCVQZVIKOE-LJQANCHMSA-N 2 1 297.446 3.400 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250173 419093032 /nfs/dbraw/zinc/09/30/32/419093032.db2.gz JHQAXRAAEOLGOO-CWLKWCNXSA-N 2 1 272.436 3.322 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876451 419398859 /nfs/dbraw/zinc/39/88/59/419398859.db2.gz MCLCUPCKFCGEII-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467301 419621076 /nfs/dbraw/zinc/62/10/76/419621076.db2.gz DSRDWGZVIPRVKG-IRXDYDNUSA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305515 263107849 /nfs/dbraw/zinc/10/78/49/263107849.db2.gz LHXNYXWLZSEIHF-ROUUACIJSA-N 2 1 288.435 3.004 20 30 CGEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305515 263107850 /nfs/dbraw/zinc/10/78/50/263107850.db2.gz LHXNYXWLZSEIHF-ROUUACIJSA-N 2 1 288.435 3.004 20 30 CGEDMP C[N@@H+](CCC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119700191 263276736 /nfs/dbraw/zinc/27/67/36/263276736.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 2 1 299.462 3.380 20 30 CGEDMP C[NH+](CCC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119700191 263276737 /nfs/dbraw/zinc/27/67/37/263276737.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 2 1 299.462 3.380 20 30 CGEDMP C[NH+](CCC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119700191 263276740 /nfs/dbraw/zinc/27/67/40/263276740.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 2 1 299.462 3.380 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000127310802 264248362 /nfs/dbraw/zinc/24/83/62/264248362.db2.gz JRAIRQNVTKYLPP-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000127310802 264248366 /nfs/dbraw/zinc/24/83/66/264248366.db2.gz JRAIRQNVTKYLPP-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000287565707 264625667 /nfs/dbraw/zinc/62/56/67/264625667.db2.gz QKFBJOISYZOFQW-GJZGRUSLSA-N 2 1 285.391 3.336 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000519282055 265386913 /nfs/dbraw/zinc/38/69/13/265386913.db2.gz XSQZDEMXWLIALY-TWGQIWQCSA-N 2 1 270.420 3.330 20 30 CGEDMP C=CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357086719 266244711 /nfs/dbraw/zinc/24/47/11/266244711.db2.gz PQODVBQRYICZHE-UHFFFAOYSA-N 2 1 250.430 3.006 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192678925 278003598 /nfs/dbraw/zinc/00/35/98/278003598.db2.gz XZSATMDYQDJBLM-VVLHAWIVSA-N 2 1 277.456 3.026 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292884712 290221285 /nfs/dbraw/zinc/22/12/85/290221285.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292884712 290221288 /nfs/dbraw/zinc/22/12/88/290221288.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292884712 290221290 /nfs/dbraw/zinc/22/12/90/290221290.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292884712 290221292 /nfs/dbraw/zinc/22/12/92/290221292.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C=CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336703092 328130115 /nfs/dbraw/zinc/13/01/15/328130115.db2.gz FVFAWITVZXRGLS-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336703092 328130117 /nfs/dbraw/zinc/13/01/17/328130117.db2.gz FVFAWITVZXRGLS-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336703092 328130118 /nfs/dbraw/zinc/13/01/18/328130118.db2.gz FVFAWITVZXRGLS-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@@H+]1C ZINC000340450984 328279151 /nfs/dbraw/zinc/27/91/51/328279151.db2.gz YVTCCMPBABQLLI-BPQIPLTHSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000340450984 328279152 /nfs/dbraw/zinc/27/91/52/328279152.db2.gz YVTCCMPBABQLLI-BPQIPLTHSA-N 2 1 285.435 3.494 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Cl ZINC000535047457 328380651 /nfs/dbraw/zinc/38/06/51/328380651.db2.gz NCEJEXMIQXBEBX-UHFFFAOYSA-N 2 1 294.826 3.090 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000272065160 330084589 /nfs/dbraw/zinc/08/45/89/330084589.db2.gz KLOUHQFXZXGHTH-AWEZNQCLSA-N 2 1 276.399 3.169 20 30 CGEDMP C=C(C)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423048730 330167055 /nfs/dbraw/zinc/16/70/55/330167055.db2.gz INBYEXIYHVLLKB-ZETOZRRWSA-N 2 1 268.351 3.297 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)C(F)(F)CC)CC1 ZINC000527656231 330272992 /nfs/dbraw/zinc/27/29/92/330272992.db2.gz FBLBLBUNUCRGKO-UHFFFAOYSA-N 2 1 274.399 3.298 20 30 CGEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000130527927 330366191 /nfs/dbraw/zinc/36/61/91/330366191.db2.gz DPAKKWQYKAWQFV-INIZCTEOSA-N 2 1 260.425 3.453 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1c1ccccc1 ZINC000453298743 331112842 /nfs/dbraw/zinc/11/28/42/331112842.db2.gz XZCRSFOCJIUUTO-KANFNMMFSA-N 2 1 297.446 3.494 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1c1ccccc1 ZINC000453298743 331112843 /nfs/dbraw/zinc/11/28/43/331112843.db2.gz XZCRSFOCJIUUTO-KANFNMMFSA-N 2 1 297.446 3.494 20 30 CGEDMP C=CCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCC1 ZINC000459565093 331288083 /nfs/dbraw/zinc/28/80/83/331288083.db2.gz FWKACJFWUTZLBM-UHFFFAOYSA-N 2 1 262.441 3.339 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000491543292 332233783 /nfs/dbraw/zinc/23/37/83/332233783.db2.gz GKZRQMQCTRQTKZ-CYBMUJFWSA-N 2 1 296.842 3.192 20 30 CGEDMP CC(C)[NH+](CC[NH2+]CC(C)(C)CCC#N)C(C)C ZINC000135128773 334116861 /nfs/dbraw/zinc/11/68/61/334116861.db2.gz OMGWMTBQQKWVON-UHFFFAOYSA-N 2 1 253.434 3.025 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCSCC#N)CC1 ZINC000080627333 334172741 /nfs/dbraw/zinc/17/27/41/334172741.db2.gz SRPKRPRDDGYETJ-UHFFFAOYSA-N 2 1 297.512 3.077 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CC(C)C ZINC000248903169 334321632 /nfs/dbraw/zinc/32/16/32/334321632.db2.gz UPUSYXHQZKSFIW-ZACQAIPSSA-N 2 1 279.472 3.415 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761553 621429792 /nfs/dbraw/zinc/42/97/92/621429792.db2.gz SJGMDLVAMZDDRB-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP N#CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903192896 621620663 /nfs/dbraw/zinc/62/06/63/621620663.db2.gz RHICWZKVNOSGKH-JLYLLQBASA-N 2 1 295.430 3.000 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000903750059 621799996 /nfs/dbraw/zinc/79/99/96/621799996.db2.gz UBSMHYPZMPQISI-SJORKVTESA-N 2 1 289.467 3.172 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000809603660 630759507 /nfs/dbraw/zinc/75/95/07/630759507.db2.gz SUKBVBQZEWXLOF-UHFFFAOYSA-N 2 1 292.426 3.280 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809606082 630759882 /nfs/dbraw/zinc/75/98/82/630759882.db2.gz LVAFZSCRMKBNQA-QGZVFWFLSA-N 2 1 284.447 3.412 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000815652010 631814222 /nfs/dbraw/zinc/81/42/22/631814222.db2.gz LNZFUAFCVPKFFQ-DOTOQJQBSA-N 2 1 270.420 3.088 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000815652010 631814225 /nfs/dbraw/zinc/81/42/25/631814225.db2.gz LNZFUAFCVPKFFQ-DOTOQJQBSA-N 2 1 270.420 3.088 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880255770 635958803 /nfs/dbraw/zinc/95/88/03/635958803.db2.gz XSVJAIXZUVDMKT-IAGOWNOFSA-N 2 1 289.467 3.409 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000877020260 634952750 /nfs/dbraw/zinc/95/27/50/634952750.db2.gz NCAHGMNXJZSPDM-QGZVFWFLSA-N 2 1 264.457 3.280 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000845929601 636119781 /nfs/dbraw/zinc/11/97/81/636119781.db2.gz WIDUOGBNIHGSCR-RDJZCZTQSA-N 2 1 296.418 3.410 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667334 638385696 /nfs/dbraw/zinc/38/56/96/638385696.db2.gz KZXPFYPFRWENOQ-RBSFLKMASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667334 638385702 /nfs/dbraw/zinc/38/57/02/638385702.db2.gz KZXPFYPFRWENOQ-RBSFLKMASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925810983 638619082 /nfs/dbraw/zinc/61/90/82/638619082.db2.gz BPIOPUJYPFOJRA-BBRMVZONSA-N 2 1 289.398 3.098 20 30 CGEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577341 639030736 /nfs/dbraw/zinc/03/07/36/639030736.db2.gz SJFRGQICFYRJPK-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577341 639030744 /nfs/dbraw/zinc/03/07/44/639030744.db2.gz SJFRGQICFYRJPK-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577341 639030751 /nfs/dbraw/zinc/03/07/51/639030751.db2.gz SJFRGQICFYRJPK-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252134619 806019574 /nfs/dbraw/zinc/01/95/74/806019574.db2.gz SCFWCZLFMWXZBB-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252141595 806025262 /nfs/dbraw/zinc/02/52/62/806025262.db2.gz MNCWNPMTPINIDU-HNNXBMFYSA-N 2 1 281.444 3.043 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001253248098 806195737 /nfs/dbraw/zinc/19/57/37/806195737.db2.gz QFNKUMMAWMGOKC-MSOLQXFVSA-N 2 1 296.499 3.195 20 30 CGEDMP CCC(CC)[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254648912 806473290 /nfs/dbraw/zinc/47/32/90/806473290.db2.gz PDCJBAOGXCNMCD-NXNVCVFFSA-N 2 1 277.456 3.439 20 30 CGEDMP C=CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384955 806629673 /nfs/dbraw/zinc/62/96/73/806629673.db2.gz CSAMJLHPYLBSPF-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383930 806629748 /nfs/dbraw/zinc/62/97/48/806629748.db2.gz QBAFXUNHJRWGEZ-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404484 806635215 /nfs/dbraw/zinc/63/52/15/806635215.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404484 806635220 /nfs/dbraw/zinc/63/52/20/806635220.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404484 806635226 /nfs/dbraw/zinc/63/52/26/806635226.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC001162680325 806646014 /nfs/dbraw/zinc/64/60/14/806646014.db2.gz JDHWBHCAJBUIIO-ZTFGCOKTSA-N 2 1 285.435 3.172 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000704020813 799934988 /nfs/dbraw/zinc/93/49/88/799934988.db2.gz CTXMUBSOJJPIJA-GOOCMWNKSA-N 2 1 250.430 3.194 20 30 CGEDMP CCCCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709827348 800019794 /nfs/dbraw/zinc/01/97/94/800019794.db2.gz KEZFPSOKLCSGGY-UHFFFAOYSA-N 2 1 252.446 3.422 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001172359484 808254320 /nfs/dbraw/zinc/25/43/20/808254320.db2.gz WWIYTXXDDRULFC-INIZCTEOSA-N 2 1 272.477 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001246057732 804104258 /nfs/dbraw/zinc/10/42/58/804104258.db2.gz GMBWPWWEEJDJED-IRXDYDNUSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246056759 804104454 /nfs/dbraw/zinc/10/44/54/804104454.db2.gz QAESFSQEBPPHTK-IRXDYDNUSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246059880 804105391 /nfs/dbraw/zinc/10/53/91/804105391.db2.gz CBNLYXVKYNJHHY-ULQDDVLXSA-N 2 1 284.488 3.300 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246264740 804246506 /nfs/dbraw/zinc/24/65/06/804246506.db2.gz LCFYTTUBGLMZIV-RYQLBKOJSA-N 2 1 288.410 3.319 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246295903 804265020 /nfs/dbraw/zinc/26/50/20/804265020.db2.gz QEMFEGSNNCBGBM-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)c(C#N)c1 ZINC001139727199 804267319 /nfs/dbraw/zinc/26/73/19/804267319.db2.gz JAEVQGJJTRMUKT-UHFFFAOYSA-N 2 1 273.424 3.030 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246399661 804321642 /nfs/dbraw/zinc/32/16/42/804321642.db2.gz KVLAJABQNRONHB-WMLDXEAASA-N 2 1 289.398 3.148 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490642 804357390 /nfs/dbraw/zinc/35/73/90/804357390.db2.gz FLWCOMBVFUMLTE-SJORKVTESA-N 2 1 283.504 3.057 20 30 CGEDMP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246495606 804360350 /nfs/dbraw/zinc/36/03/50/804360350.db2.gz KSBPZHXZLFQWDQ-QZTJIDSGSA-N 2 1 297.531 3.447 20 30 CGEDMP CCCCCCCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561570 804410006 /nfs/dbraw/zinc/41/00/06/804410006.db2.gz WFFYXKZLYRPYGF-GVDBMIGSSA-N 2 1 284.488 3.300 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@]34CCC[NH2+]C4)C[C@H](C1)C2 ZINC001246611608 804445242 /nfs/dbraw/zinc/44/52/42/804445242.db2.gz URSRIPZAWIMTAQ-WFFDWFOESA-N 2 1 274.452 3.339 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616678 804451359 /nfs/dbraw/zinc/45/13/59/804451359.db2.gz ADUFTLKLPNYQMY-WBVHZDCISA-N 2 1 270.420 3.030 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630973 804461062 /nfs/dbraw/zinc/46/10/62/804461062.db2.gz MUIOMZVVALFMJR-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630973 804461067 /nfs/dbraw/zinc/46/10/67/804461067.db2.gz MUIOMZVVALFMJR-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246680660 804494094 /nfs/dbraw/zinc/49/40/94/804494094.db2.gz WOHZPIPMCANTKP-LSDHHAIUSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246770061 804502783 /nfs/dbraw/zinc/50/27/83/804502783.db2.gz MZLOLYCLIADTET-ZSHCYNCHSA-N 2 1 252.446 3.277 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC001246791866 804515970 /nfs/dbraw/zinc/51/59/70/804515970.db2.gz JKGHJOWGZSWRJI-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838053 804545658 /nfs/dbraw/zinc/54/56/58/804545658.db2.gz AKGZDHXUBZUWIC-MRXNPFEDSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246838053 804545661 /nfs/dbraw/zinc/54/56/61/804545661.db2.gz AKGZDHXUBZUWIC-MRXNPFEDSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCCCC[N@H+](C)C1CCC2(CC[NH2+]C2)CC1 ZINC001246869185 804571427 /nfs/dbraw/zinc/57/14/27/804571427.db2.gz FUDZQBZEVUJPSR-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP CC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257435602 807154993 /nfs/dbraw/zinc/15/49/93/807154993.db2.gz INKLWSRSEMSTNN-WBAXXEDZSA-N 2 1 285.435 3.429 20 30 CGEDMP C=CC[NH+](CC=C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146416 807320031 /nfs/dbraw/zinc/32/00/31/807320031.db2.gz WYGDGSIWMCFHJY-UHFFFAOYSA-N 2 1 284.447 3.368 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258908526 807672019 /nfs/dbraw/zinc/67/20/19/807672019.db2.gz WSQCBFZDUTVFGK-MRXNPFEDSA-N 2 1 299.462 3.427 20 30 CGEDMP C[Si](C)(C)C#C[N@H+](CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170624236 807867245 /nfs/dbraw/zinc/86/72/45/807867245.db2.gz FJORDIJVQJKRJU-UHFFFAOYSA-N 2 1 290.527 3.054 20 30 CGEDMP C[Si](C)(C)C#C[N@@H+](CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170624236 807867250 /nfs/dbraw/zinc/86/72/50/807867250.db2.gz FJORDIJVQJKRJU-UHFFFAOYSA-N 2 1 290.527 3.054 20 30 CGEDMP CC1(C)C[C@@H]([NH2+]C2CC(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975053 808163901 /nfs/dbraw/zinc/16/39/01/808163901.db2.gz BYWLCOXDHYJRHM-ADKAHSJRSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172299533 808219840 /nfs/dbraw/zinc/21/98/40/808219840.db2.gz LDNGJXUBHZJRAD-CRAIPNDOSA-N 2 1 297.446 3.096 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172299533 808219844 /nfs/dbraw/zinc/21/98/44/808219844.db2.gz LDNGJXUBHZJRAD-CRAIPNDOSA-N 2 1 297.446 3.096 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312759 808224309 /nfs/dbraw/zinc/22/43/09/808224309.db2.gz JAKZITFOAZRRBX-MRXNPFEDSA-N 2 1 287.451 3.153 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501142 808355278 /nfs/dbraw/zinc/35/52/78/808355278.db2.gz AGUTYVQAYWGFMI-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501142 808355288 /nfs/dbraw/zinc/35/52/88/808355288.db2.gz AGUTYVQAYWGFMI-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@@H]1C[NH3+] ZINC001205617954 813029197 /nfs/dbraw/zinc/02/91/97/813029197.db2.gz PYPQLLVGEXPQBL-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205663705 813045653 /nfs/dbraw/zinc/04/56/53/813045653.db2.gz KFNGFEFYJYNUFY-QGZVFWFLSA-N 2 1 282.472 3.079 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206011168 813163907 /nfs/dbraw/zinc/16/39/07/813163907.db2.gz AJWUVKFKXVKOPY-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206022818 813169160 /nfs/dbraw/zinc/16/91/60/813169160.db2.gz CXZKKEPHIQAVKR-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001206556489 813351911 /nfs/dbraw/zinc/35/19/11/813351911.db2.gz SWIMPMURGQVOJL-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001206556489 813351918 /nfs/dbraw/zinc/35/19/18/813351918.db2.gz SWIMPMURGQVOJL-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768732 813430793 /nfs/dbraw/zinc/43/07/93/813430793.db2.gz LVGAXQRGZJMZAT-JKSUJKDBSA-N 2 1 288.435 3.201 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001209158584 813952547 /nfs/dbraw/zinc/95/25/47/813952547.db2.gz QRYRZDHSBFSDNN-HUUCEWRRSA-N 2 1 276.449 3.078 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222320190 816408272 /nfs/dbraw/zinc/40/82/72/816408272.db2.gz CPQSFYQYAXIOHU-IBGZPJMESA-N 2 1 297.446 3.229 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465531 816450809 /nfs/dbraw/zinc/45/08/09/816450809.db2.gz SXKPFMKRNXPJFA-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465531 816450817 /nfs/dbraw/zinc/45/08/17/816450817.db2.gz SXKPFMKRNXPJFA-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001232014020 818232351 /nfs/dbraw/zinc/23/23/51/818232351.db2.gz FUELUKBZHYOEFZ-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235411027 819089751 /nfs/dbraw/zinc/08/97/51/819089751.db2.gz ZSFUCMXGXZDUCW-KURKYZTESA-N 2 1 292.442 3.313 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717316 819149925 /nfs/dbraw/zinc/14/99/25/819149925.db2.gz QQCSUSREQXTQTE-UHFFFAOYSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCCCCCCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235950344 819240163 /nfs/dbraw/zinc/24/01/63/819240163.db2.gz BIRYUNWXWIPHOE-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C#CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001352112815 937036834 /nfs/dbraw/zinc/03/68/34/937036834.db2.gz PCCNOQBFWOIWOR-OKZBNKHCSA-N 2 1 276.468 3.232 20 30 CGEDMP C#CC[N@@H+](C)CCCNCc1cc2cccc(CC)c2o1 ZINC001461540234 937584787 /nfs/dbraw/zinc/58/47/87/937584787.db2.gz PGDGUJLLKIRLBC-UHFFFAOYSA-N 2 1 284.403 3.040 20 30 CGEDMP C#CC[N@H+](C)CCCNCc1cc2cccc(CC)c2o1 ZINC001461540234 937584788 /nfs/dbraw/zinc/58/47/88/937584788.db2.gz PGDGUJLLKIRLBC-UHFFFAOYSA-N 2 1 284.403 3.040 20 30 CGEDMP C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC001574901711 962328074 /nfs/dbraw/zinc/32/80/74/962328074.db2.gz PXWZDHIHQFNFBM-IAGOWNOFSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001574907651 962329487 /nfs/dbraw/zinc/32/94/87/962329487.db2.gz VNMNJWYMWCETEC-ZACQAIPSSA-N 2 1 280.456 3.094 20 30 CGEDMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@H](C)c1ccc(C#N)cc1 ZINC001577707504 962561561 /nfs/dbraw/zinc/56/15/61/962561561.db2.gz MNUMCJHOGXZNAQ-WBVHZDCISA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955161 347701056 /nfs/dbraw/zinc/70/10/56/347701056.db2.gz GVBIGBNWQCYOKU-CJNGLKHVSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955161 347701060 /nfs/dbraw/zinc/70/10/60/347701060.db2.gz GVBIGBNWQCYOKU-CJNGLKHVSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966450 347701713 /nfs/dbraw/zinc/70/17/13/347701713.db2.gz XLXPOSGMBHVZGW-CJNGLKHVSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966450 347701716 /nfs/dbraw/zinc/70/17/16/347701716.db2.gz XLXPOSGMBHVZGW-CJNGLKHVSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000602524750 347975752 /nfs/dbraw/zinc/97/57/52/347975752.db2.gz DOCBDQNCSMCWDO-GJZGRUSLSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000602524750 347975754 /nfs/dbraw/zinc/97/57/54/347975754.db2.gz DOCBDQNCSMCWDO-GJZGRUSLSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783998 348028228 /nfs/dbraw/zinc/02/82/28/348028228.db2.gz GHQUKZMUEFVBMP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783998 348028230 /nfs/dbraw/zinc/02/82/30/348028230.db2.gz GHQUKZMUEFVBMP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602783998 348028233 /nfs/dbraw/zinc/02/82/33/348028233.db2.gz GHQUKZMUEFVBMP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602783998 348028237 /nfs/dbraw/zinc/02/82/37/348028237.db2.gz GHQUKZMUEFVBMP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP N#CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000602711924 348015688 /nfs/dbraw/zinc/01/56/88/348015688.db2.gz SJYIWBGMHCCVSA-GPANFISMSA-N 2 1 275.440 3.065 20 30 CGEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000602711924 348015690 /nfs/dbraw/zinc/01/56/90/348015690.db2.gz SJYIWBGMHCCVSA-GPANFISMSA-N 2 1 275.440 3.065 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391534 348444355 /nfs/dbraw/zinc/44/43/55/348444355.db2.gz MZYBNJJLHSKAQM-VQIMIIECSA-N 2 1 297.446 3.257 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000358561345 233155773 /nfs/dbraw/zinc/15/57/73/233155773.db2.gz GIWQCQUPYTUPRM-NWANDNLSSA-N 2 1 289.398 3.221 20 30 CGEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262904 371407051 /nfs/dbraw/zinc/40/70/51/371407051.db2.gz VFDOAUQLSIZLSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262904 371407058 /nfs/dbraw/zinc/40/70/58/371407058.db2.gz VFDOAUQLSIZLSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262904 371407068 /nfs/dbraw/zinc/40/70/68/371407068.db2.gz VFDOAUQLSIZLSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262904 371407071 /nfs/dbraw/zinc/40/70/71/371407071.db2.gz VFDOAUQLSIZLSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287741902 371700783 /nfs/dbraw/zinc/70/07/83/371700783.db2.gz YVGJCWHCEIINIQ-IIDMSEBBSA-N 2 1 288.435 3.070 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000295162921 372696789 /nfs/dbraw/zinc/69/67/89/372696789.db2.gz KRBFUVYZMXQLQR-UHFFFAOYSA-N 2 1 264.438 3.187 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000353410105 220066803 /nfs/dbraw/zinc/06/68/03/220066803.db2.gz GLGYBGZVOMEKLQ-LJQANCHMSA-N 2 1 295.430 3.010 20 30 CGEDMP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000174256434 373276359 /nfs/dbraw/zinc/27/63/59/373276359.db2.gz VUBWCUMKFGOPRR-UHFFFAOYSA-N 2 1 295.386 3.037 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469860046 374992488 /nfs/dbraw/zinc/99/24/88/374992488.db2.gz DTQHEMIKBMJANC-OCCSQVGLSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469860046 374992497 /nfs/dbraw/zinc/99/24/97/374992497.db2.gz DTQHEMIKBMJANC-OCCSQVGLSA-N 2 1 294.826 3.074 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158126 376716771 /nfs/dbraw/zinc/71/67/71/376716771.db2.gz ZTUNMNAXFYTKPU-OAGGEKHMSA-N 2 1 298.434 3.091 20 30 CGEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432132 376755781 /nfs/dbraw/zinc/75/57/81/376755781.db2.gz CJWOHWCEVCUUHP-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432132 376755791 /nfs/dbraw/zinc/75/57/91/376755791.db2.gz CJWOHWCEVCUUHP-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432132 376755798 /nfs/dbraw/zinc/75/57/98/376755798.db2.gz CJWOHWCEVCUUHP-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245949344 376942611 /nfs/dbraw/zinc/94/26/11/376942611.db2.gz WEEFCDIVKYVRKZ-WBVHZDCISA-N 2 1 285.435 3.329 20 30 CGEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264135366 377957440 /nfs/dbraw/zinc/95/74/40/377957440.db2.gz ZKYIEHDXCAZYIQ-UHFFFAOYSA-N 2 1 299.422 3.132 20 30 CGEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402479 /nfs/dbraw/zinc/40/24/79/378402479.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402481 /nfs/dbraw/zinc/40/24/81/378402481.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402485 /nfs/dbraw/zinc/40/24/85/378402485.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346059490 378451850 /nfs/dbraw/zinc/45/18/50/378451850.db2.gz CLSYGGAMOZTBBL-CYBMUJFWSA-N 2 1 289.398 3.222 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000271919640 378517971 /nfs/dbraw/zinc/51/79/71/378517971.db2.gz DJCXKNCSRXTTLA-MAZHCROVSA-N 2 1 289.398 3.221 20 30 CGEDMP C=CCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272463006 378642995 /nfs/dbraw/zinc/64/29/95/378642995.db2.gz KOOZFSBOACTWAB-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274875542 378910513 /nfs/dbraw/zinc/91/05/13/378910513.db2.gz YGILLXBSPWSRKD-WBVHZDCISA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274875542 378910522 /nfs/dbraw/zinc/91/05/22/378910522.db2.gz YGILLXBSPWSRKD-WBVHZDCISA-N 2 1 258.409 3.063 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277383336 379147037 /nfs/dbraw/zinc/14/70/37/379147037.db2.gz YKAASGIKDNWXIO-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277383336 379147041 /nfs/dbraw/zinc/14/70/41/379147041.db2.gz YKAASGIKDNWXIO-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446487 380035546 /nfs/dbraw/zinc/03/55/46/380035546.db2.gz BRJYGSGUVCFZBV-INIZCTEOSA-N 2 1 279.472 3.370 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353277522 380199173 /nfs/dbraw/zinc/19/91/73/380199173.db2.gz ORGDLEPUCCTDDY-SFHVURJKSA-N 2 1 294.402 3.121 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358309269 381304094 /nfs/dbraw/zinc/30/40/94/381304094.db2.gz WWZNMSCHBCFOKS-QWHCGFSZSA-N 2 1 255.365 3.406 20 30 CGEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385662 393349532 /nfs/dbraw/zinc/34/95/32/393349532.db2.gz MEYRCDVRWLKVKH-OHHBCXFOSA-N 2 1 297.446 3.254 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359208688 393540420 /nfs/dbraw/zinc/54/04/20/393540420.db2.gz COJSXUBQIWFTGW-UHFFFAOYSA-N 2 1 272.436 3.107 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723139 543181199 /nfs/dbraw/zinc/18/11/99/543181199.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723139 543181202 /nfs/dbraw/zinc/18/12/02/543181202.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723139 543181203 /nfs/dbraw/zinc/18/12/03/543181203.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723139 543181205 /nfs/dbraw/zinc/18/12/05/543181205.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678698229 543549704 /nfs/dbraw/zinc/54/97/04/543549704.db2.gz NJUFRHCJAXQUPZ-HRCADAONSA-N 2 1 250.430 3.338 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246252066 287131268 /nfs/dbraw/zinc/13/12/68/287131268.db2.gz WICICPABVSRVRC-RDJZCZTQSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246252066 287131271 /nfs/dbraw/zinc/13/12/71/287131271.db2.gz WICICPABVSRVRC-RDJZCZTQSA-N 2 1 283.419 3.037 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005279 543959989 /nfs/dbraw/zinc/95/99/89/543959989.db2.gz PLZNTGJHIDQBNY-HNNXBMFYSA-N 2 1 285.435 3.201 20 30 CGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCCc3cccnc32)CC1 ZINC000684954657 544043365 /nfs/dbraw/zinc/04/33/65/544043365.db2.gz CUQSCVLKSCGFBS-KRWDZBQOSA-N 2 1 285.435 3.089 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657531421 419299805 /nfs/dbraw/zinc/29/98/05/419299805.db2.gz YRFAFGTXAWMFGY-VQHPVUNQSA-N 2 1 262.441 3.338 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000657841956 419383953 /nfs/dbraw/zinc/38/39/53/419383953.db2.gz RRJQDROTZYKUPF-XHSDSOJGSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000657844210 419386576 /nfs/dbraw/zinc/38/65/76/419386576.db2.gz HNXVDJBCYLTRDC-BBWFWOEESA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658114937 419588614 /nfs/dbraw/zinc/58/86/14/419588614.db2.gz SKTDYOFJMSABFP-GUDVDZBRSA-N 2 1 284.447 3.453 20 30 CGEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000336800628 262396782 /nfs/dbraw/zinc/39/67/82/262396782.db2.gz MYKMEOCFOIOING-UHFFFAOYSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161498905 264286974 /nfs/dbraw/zinc/28/69/74/264286974.db2.gz QTSXYPRWUFRFSS-NVXWUHKLSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000161498905 264286975 /nfs/dbraw/zinc/28/69/75/264286975.db2.gz QTSXYPRWUFRFSS-NVXWUHKLSA-N 2 1 288.435 3.071 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360840254 276152082 /nfs/dbraw/zinc/15/20/82/276152082.db2.gz MQTCYCVQZVIKOE-IBGZPJMESA-N 2 1 297.446 3.400 20 30 CGEDMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000373524766 278333469 /nfs/dbraw/zinc/33/34/69/278333469.db2.gz UYBUGPVFDSPWQU-RWBZWWBESA-N 2 1 283.419 3.226 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CC)CC1 ZINC000531720386 328028548 /nfs/dbraw/zinc/02/85/48/328028548.db2.gz BAJCNMXFRDGGND-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000174363522 329156494 /nfs/dbraw/zinc/15/64/94/329156494.db2.gz LNRXQUQBKJQSQO-UHFFFAOYSA-N 2 1 288.435 3.139 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500658 330208443 /nfs/dbraw/zinc/20/84/43/330208443.db2.gz CWZHFKTZFBXSFH-IXDOHACOSA-N 2 1 258.409 3.076 20 30 CGEDMP C=CCC[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CC1 ZINC000121027075 330395244 /nfs/dbraw/zinc/39/52/44/330395244.db2.gz GIVQSYSUBXATSO-INIZCTEOSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CC1 ZINC000121027075 330395245 /nfs/dbraw/zinc/39/52/45/330395245.db2.gz GIVQSYSUBXATSO-INIZCTEOSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488436101 332008133 /nfs/dbraw/zinc/00/81/33/332008133.db2.gz WZUGKYRQERIIGA-CVEARBPZSA-N 2 1 282.497 3.147 20 30 CGEDMP C[C@H]1C[C@@H](N(C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123079 334116468 /nfs/dbraw/zinc/11/64/68/334116468.db2.gz OSLLPYNUINOGRE-HOCLYGCPSA-N 2 1 290.838 3.106 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249052850 334325968 /nfs/dbraw/zinc/32/59/68/334325968.db2.gz XZSATMDYQDJBLM-YVSFHVDLSA-N 2 1 277.456 3.026 20 30 CGEDMP CC(C)[N@@H+](CCCc1cncn1C)Cc1ccc(C#N)cc1 ZINC000581951544 336178252 /nfs/dbraw/zinc/17/82/52/336178252.db2.gz FVCOGRXEMNFOPD-UHFFFAOYSA-N 2 1 296.418 3.135 20 30 CGEDMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000581951544 336178254 /nfs/dbraw/zinc/17/82/54/336178254.db2.gz FVCOGRXEMNFOPD-UHFFFAOYSA-N 2 1 296.418 3.135 20 30 CGEDMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000581951544 336178255 /nfs/dbraw/zinc/17/82/55/336178255.db2.gz FVCOGRXEMNFOPD-UHFFFAOYSA-N 2 1 296.418 3.135 20 30 CGEDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(C#N)c1 ZINC000423269262 533995506 /nfs/dbraw/zinc/99/55/06/533995506.db2.gz VVHJJVSCDXUHNF-SUMWQHHRSA-N 2 1 271.408 3.116 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000897969079 620459249 /nfs/dbraw/zinc/45/92/49/620459249.db2.gz DIISXRPQMLCZCV-CSNJMZFVSA-N 2 1 296.499 3.313 20 30 CGEDMP C#CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903132557 621592602 /nfs/dbraw/zinc/59/26/02/621592602.db2.gz ZZMVHFJSASWHKV-QZNYNHHHSA-N 2 1 294.442 3.498 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739954 621801148 /nfs/dbraw/zinc/80/11/48/621801148.db2.gz BRFVZFVIHPUAMA-DLBZAZTESA-N 2 1 289.467 3.315 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779626 638950728 /nfs/dbraw/zinc/95/07/28/638950728.db2.gz GJCIRHLQQZNKRQ-ZGRYLRDCSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779626 638950730 /nfs/dbraw/zinc/95/07/30/638950730.db2.gz GJCIRHLQQZNKRQ-ZGRYLRDCSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779626 638950731 /nfs/dbraw/zinc/95/07/31/638950731.db2.gz GJCIRHLQQZNKRQ-ZGRYLRDCSA-N 2 1 277.456 3.121 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612266 639469412 /nfs/dbraw/zinc/46/94/12/639469412.db2.gz YMMVIUHVEBEQDZ-LJQANCHMSA-N 2 1 297.446 3.222 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000381439319 799380685 /nfs/dbraw/zinc/38/06/85/799380685.db2.gz WFGFNBPDBLDXAM-CRAIPNDOSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000381439319 799380693 /nfs/dbraw/zinc/38/06/93/799380693.db2.gz WFGFNBPDBLDXAM-CRAIPNDOSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000392767378 799483126 /nfs/dbraw/zinc/48/31/26/799483126.db2.gz AGIJEPPHIYWYRA-UHFFFAOYSA-N 2 1 287.794 3.255 20 30 CGEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000392767378 799483129 /nfs/dbraw/zinc/48/31/29/799483129.db2.gz AGIJEPPHIYWYRA-UHFFFAOYSA-N 2 1 287.794 3.255 20 30 CGEDMP C#CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714970246 800129193 /nfs/dbraw/zinc/12/91/93/800129193.db2.gz WOKWWJZDJRKCII-PMACEKPBSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716719016 800178168 /nfs/dbraw/zinc/17/81/68/800178168.db2.gz PYVFALPZQOQDCT-FHWLQOOXSA-N 2 1 282.431 3.043 20 30 CGEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716713293 800179212 /nfs/dbraw/zinc/17/92/12/800179212.db2.gz NNDHVLMXBVMMSC-KSZLIROESA-N 2 1 270.420 3.205 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019293 804100796 /nfs/dbraw/zinc/10/07/96/804100796.db2.gz IKOAAVLQURXVOC-KSZLIROESA-N 2 1 298.515 3.405 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246026101 804101012 /nfs/dbraw/zinc/10/10/12/804101012.db2.gz ZHYSXSXTEFCQCG-ROUUACIJSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)CC1(O)CC[NH2+]CC1 ZINC001246064228 804106825 /nfs/dbraw/zinc/10/68/25/804106825.db2.gz RGCQZRJCWLGHDS-UHFFFAOYSA-N 2 1 284.488 3.173 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](CC)C[C@@H](C)CC ZINC001246313099 804275690 /nfs/dbraw/zinc/27/56/90/804275690.db2.gz RNXOBOFMUIMQBC-XHSDSOJGSA-N 2 1 298.471 3.018 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616676 804452563 /nfs/dbraw/zinc/45/25/63/804452563.db2.gz ADUFTLKLPNYQMY-NVXWUHKLSA-N 2 1 270.420 3.030 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC34CC[NH2+]CC4)C[C@H](C1)C2 ZINC001246654757 804480139 /nfs/dbraw/zinc/48/01/39/804480139.db2.gz NNRHPECGDFFSQX-SJPCQFCGSA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687854 804496900 /nfs/dbraw/zinc/49/69/00/804496900.db2.gz XJVKBYMRPBIWIA-XMTFNYHQSA-N 2 1 294.483 3.188 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246852296 804561797 /nfs/dbraw/zinc/56/17/97/804561797.db2.gz OPNASYBRJDXQTD-ROUUACIJSA-N 2 1 272.436 3.248 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246868603 804571338 /nfs/dbraw/zinc/57/13/38/804571338.db2.gz BFNRMMKWUYVEIZ-CABCVRRESA-N 2 1 252.446 3.441 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)C[C@H](C1)C2 ZINC001246935702 804608257 /nfs/dbraw/zinc/60/82/57/804608257.db2.gz WNQPBVLQIAZZKD-FVGDGBDSSA-N 2 1 274.452 3.053 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947484 804613675 /nfs/dbraw/zinc/61/36/75/804613675.db2.gz KRROFMMTQJRCBX-WCVJEAGWSA-N 2 1 252.446 3.275 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@](C)(C[NH3+])C3)C[C@H](C1)C2 ZINC001247001751 804635292 /nfs/dbraw/zinc/63/52/92/804635292.db2.gz KSRWZABOHZTEQW-FCLJQHQZSA-N 2 1 262.441 3.182 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(C)C)CC1 ZINC001257216261 807062359 /nfs/dbraw/zinc/06/23/59/807062359.db2.gz DJAXSQLGCKHEBD-HXUWFJFHSA-N 2 1 296.458 3.482 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(C(C)C)CC1 ZINC001257216261 807062365 /nfs/dbraw/zinc/06/23/65/807062365.db2.gz DJAXSQLGCKHEBD-HXUWFJFHSA-N 2 1 296.458 3.482 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C(C)C)CC1 ZINC001257216261 807062370 /nfs/dbraw/zinc/06/23/70/807062370.db2.gz DJAXSQLGCKHEBD-HXUWFJFHSA-N 2 1 296.458 3.482 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C(C)C)CC1 ZINC001257216261 807062374 /nfs/dbraw/zinc/06/23/74/807062374.db2.gz DJAXSQLGCKHEBD-HXUWFJFHSA-N 2 1 296.458 3.482 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258722744 807570914 /nfs/dbraw/zinc/57/09/14/807570914.db2.gz MUEJFYNLCNPORI-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258722744 807570916 /nfs/dbraw/zinc/57/09/16/807570916.db2.gz MUEJFYNLCNPORI-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258728236 807575229 /nfs/dbraw/zinc/57/52/29/807575229.db2.gz NJODZKABHGWIOL-CVEARBPZSA-N 2 1 294.483 3.353 20 30 CGEDMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc[nH+]c(CC#N)c1 ZINC001169693092 807689491 /nfs/dbraw/zinc/68/94/91/807689491.db2.gz VZLBSNQQQNWCAQ-QGZVFWFLSA-N 2 1 292.386 3.388 20 30 CGEDMP CC(C)[N@@H+](CCC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358856 807829761 /nfs/dbraw/zinc/82/97/61/807829761.db2.gz AOIIXTKLHSVMHS-UHFFFAOYSA-N 2 1 299.462 3.450 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(C#N)s2)CC1(C)C ZINC001171623997 808106263 /nfs/dbraw/zinc/10/62/63/808106263.db2.gz KOUZPMGOAFQJES-UHFFFAOYSA-N 2 1 291.464 3.361 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983793 808165438 /nfs/dbraw/zinc/16/54/38/808165438.db2.gz QBSRSAKZLBHFCM-NVXWUHKLSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983793 808165443 /nfs/dbraw/zinc/16/54/43/808165443.db2.gz QBSRSAKZLBHFCM-NVXWUHKLSA-N 2 1 270.420 3.041 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(C#N)(CC1)CC3)C2 ZINC001172104256 808174091 /nfs/dbraw/zinc/17/40/91/808174091.db2.gz AWRKOFUOJIOCQE-GRVSVYIRSA-N 2 1 287.451 3.208 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(C#N)(CC1)CC3)C2 ZINC001172104256 808174093 /nfs/dbraw/zinc/17/40/93/808174093.db2.gz AWRKOFUOJIOCQE-GRVSVYIRSA-N 2 1 287.451 3.208 20 30 CGEDMP CCCCCCC[C@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172350323 808248181 /nfs/dbraw/zinc/24/81/81/808248181.db2.gz MXEFVOCFEDKRAU-CABCVRRESA-N 2 1 281.444 3.057 20 30 CGEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172497375 808353607 /nfs/dbraw/zinc/35/36/07/808353607.db2.gz BJJJRMRHNGYKRG-YESZJQIVSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172497375 808353616 /nfs/dbraw/zinc/35/36/16/808353616.db2.gz BJJJRMRHNGYKRG-YESZJQIVSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172497375 808353625 /nfs/dbraw/zinc/35/36/25/808353625.db2.gz BJJJRMRHNGYKRG-YESZJQIVSA-N 2 1 277.456 3.408 20 30 CGEDMP CCC(CC)C[N@@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001204498036 812657368 /nfs/dbraw/zinc/65/73/68/812657368.db2.gz WKQWHMBNHXHIMN-UHFFFAOYSA-N 2 1 279.472 3.370 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205304021 812941938 /nfs/dbraw/zinc/94/19/38/812941938.db2.gz MXWQCBKLRLHYJT-NVXWUHKLSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@@H]1C[NH3+] ZINC001205617956 813028937 /nfs/dbraw/zinc/02/89/37/813028937.db2.gz PYPQLLVGEXPQBL-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@H]1C[NH3+] ZINC001206002854 813161527 /nfs/dbraw/zinc/16/15/27/813161527.db2.gz CAIXKIDCJLUJRN-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001206312052 813285395 /nfs/dbraw/zinc/28/53/95/813285395.db2.gz YQDDJRXNTCNNEU-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP N#CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947847 813906872 /nfs/dbraw/zinc/90/68/72/813906872.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947847 813906878 /nfs/dbraw/zinc/90/68/78/813906878.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947847 813906882 /nfs/dbraw/zinc/90/68/82/813906882.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 2 1 297.446 3.134 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492073 816455615 /nfs/dbraw/zinc/45/56/15/816455615.db2.gz NONWYVKREZTSIC-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193500 819031604 /nfs/dbraw/zinc/03/16/04/819031604.db2.gz NKPQHXJVPUGNMV-HZPDHXFCSA-N 2 1 250.430 3.054 20 30 CGEDMP CCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264342 819056996 /nfs/dbraw/zinc/05/69/96/819056996.db2.gz WYXKOFYOAVXSLN-HOTGVXAUSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338583 819070167 /nfs/dbraw/zinc/07/01/67/819070167.db2.gz PTUKPJIZGKZWGF-FDMDGMSGSA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338587 819071086 /nfs/dbraw/zinc/07/10/86/819071086.db2.gz PTUKPJIZGKZWGF-ROJDOSBLSA-N 2 1 264.457 3.444 20 30 CGEDMP C[NH+](C)[C@H]1CCCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC001320878085 934116302 /nfs/dbraw/zinc/11/63/02/934116302.db2.gz ZGSILNYEXVXTKU-IAFLDTSXSA-N 2 1 297.446 3.073 20 30 CGEDMP C=CC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132246 937793812 /nfs/dbraw/zinc/79/38/12/937793812.db2.gz CYPWKLDNOQPRTP-DLBZAZTESA-N 2 1 264.457 3.395 20 30 CGEDMP C#CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001473481551 937808496 /nfs/dbraw/zinc/80/84/96/937808496.db2.gz CCJQAVPHCRTGAP-UHFFFAOYSA-N 2 1 282.431 3.270 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576301208 962451714 /nfs/dbraw/zinc/45/17/14/962451714.db2.gz NHPSDXIYWOXNSR-FHLIZLRMSA-N 2 1 283.419 3.070 20 30 CGEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C[NH3+])C(C)C ZINC001577526672 962557882 /nfs/dbraw/zinc/55/78/82/962557882.db2.gz BGLQZSDDLPKILB-QGZVFWFLSA-N 2 1 273.424 3.001 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000651720393 398275740 /nfs/dbraw/zinc/27/57/40/398275740.db2.gz YFQBMSXVTSPPIP-HOTGVXAUSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000651720392 398275890 /nfs/dbraw/zinc/27/58/90/398275890.db2.gz YFQBMSXVTSPPIP-CVEARBPZSA-N 2 1 261.413 3.306 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000591582319 346929762 /nfs/dbraw/zinc/92/97/62/346929762.db2.gz HAYNGEVZJYLUIK-SWLSCSKDSA-N 2 1 287.382 3.023 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404318 346985275 /nfs/dbraw/zinc/98/52/75/346985275.db2.gz XMFXXROJZBEGEP-AITUJVMLSA-N 2 1 297.446 3.004 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090399087 345786915 /nfs/dbraw/zinc/78/69/15/345786915.db2.gz XPCWRCXANKDXDC-IEBWSBKVSA-N 2 1 284.447 3.433 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090399087 345786918 /nfs/dbraw/zinc/78/69/18/345786918.db2.gz XPCWRCXANKDXDC-IEBWSBKVSA-N 2 1 284.447 3.433 20 30 CGEDMP C[NH+](C)CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000177702770 346251125 /nfs/dbraw/zinc/25/11/25/346251125.db2.gz BCWLNNKYNJHOPZ-AWEZNQCLSA-N 2 1 279.453 3.076 20 30 CGEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202232 /nfs/dbraw/zinc/20/22/32/347202232.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202238 /nfs/dbraw/zinc/20/22/38/347202238.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202241 /nfs/dbraw/zinc/20/22/41/347202241.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202244 /nfs/dbraw/zinc/20/22/44/347202244.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 2 1 299.462 3.260 20 30 CGEDMP N#Cc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000595299392 347289277 /nfs/dbraw/zinc/28/92/77/347289277.db2.gz YZQHKIZQNWADFD-UHFFFAOYSA-N 2 1 297.446 3.051 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012196 347527656 /nfs/dbraw/zinc/52/76/56/347527656.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012196 347527660 /nfs/dbraw/zinc/52/76/60/347527660.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012196 347527663 /nfs/dbraw/zinc/52/76/63/347527663.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012196 347527667 /nfs/dbraw/zinc/52/76/67/347527667.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966453 347701694 /nfs/dbraw/zinc/70/16/94/347701694.db2.gz XLXPOSGMBHVZGW-XJKSGUPXSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966453 347701697 /nfs/dbraw/zinc/70/16/97/347701697.db2.gz XLXPOSGMBHVZGW-XJKSGUPXSA-N 2 1 271.408 3.082 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C#N ZINC000600712101 347830284 /nfs/dbraw/zinc/83/02/84/347830284.db2.gz WDNUJYHNQLYCCT-SFHVURJKSA-N 2 1 297.446 3.078 20 30 CGEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451649 347960232 /nfs/dbraw/zinc/96/02/32/347960232.db2.gz RBKRFQKDYDDFSD-QZTJIDSGSA-N 2 1 291.483 3.370 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(CC#N)cc1 ZINC000603113065 348060121 /nfs/dbraw/zinc/06/01/21/348060121.db2.gz YOXQUQYBDIHZLU-UHFFFAOYSA-N 2 1 299.462 3.451 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC000178176390 189095649 /nfs/dbraw/zinc/09/56/49/189095649.db2.gz QRWOANQIHHEIEO-CQSZACIVSA-N 2 1 283.419 3.083 20 30 CGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000179668077 189211795 /nfs/dbraw/zinc/21/17/95/189211795.db2.gz GMFKPNCOHFIDKV-UONOGXRCSA-N 2 1 282.391 3.050 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000180130038 189238777 /nfs/dbraw/zinc/23/87/77/189238777.db2.gz OSRJOLNWHJTADE-AWEZNQCLSA-N 2 1 282.391 3.194 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000120843222 370805975 /nfs/dbraw/zinc/80/59/75/370805975.db2.gz CJPVFBYFARSYBS-SFHVURJKSA-N 2 1 285.435 3.016 20 30 CGEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000135234121 371404219 /nfs/dbraw/zinc/40/42/19/371404219.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000135234121 371404225 /nfs/dbraw/zinc/40/42/25/371404225.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000135234121 371404230 /nfs/dbraw/zinc/40/42/30/371404230.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 2 1 299.462 3.261 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430343 220078172 /nfs/dbraw/zinc/07/81/72/220078172.db2.gz WIXQGEQWKACWAD-VQIMIIECSA-N 2 1 297.446 3.256 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449131835 373663249 /nfs/dbraw/zinc/66/32/49/373663249.db2.gz PXWLKCYEZLPVHR-KLAILNCOSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449128669 373663919 /nfs/dbraw/zinc/66/39/19/373663919.db2.gz ZSBREHDGCYXQFJ-CQSZACIVSA-N 2 1 252.446 3.441 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449737899 373865379 /nfs/dbraw/zinc/86/53/79/373865379.db2.gz VPDDTSGRSWNFPU-UHFFFAOYSA-N 2 1 289.398 3.050 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803018 375952591 /nfs/dbraw/zinc/95/25/91/375952591.db2.gz WVKWUNZJXIQJLR-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803018 375952597 /nfs/dbraw/zinc/95/25/97/375952597.db2.gz WVKWUNZJXIQJLR-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803018 375952604 /nfs/dbraw/zinc/95/26/04/375952604.db2.gz WVKWUNZJXIQJLR-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194383784 375995973 /nfs/dbraw/zinc/99/59/73/375995973.db2.gz WRUYEVCAYSEXQW-OAHLLOKOSA-N 2 1 258.409 3.030 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985509 377481407 /nfs/dbraw/zinc/48/14/07/377481407.db2.gz ILVVJCLYNHSIPI-GOSISDBHSA-N 2 1 282.431 3.187 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985509 377481414 /nfs/dbraw/zinc/48/14/14/377481414.db2.gz ILVVJCLYNHSIPI-GOSISDBHSA-N 2 1 282.431 3.187 20 30 CGEDMP C[C@@H]([NH2+]CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272528283 378658587 /nfs/dbraw/zinc/65/85/87/378658587.db2.gz QPXQWDSRJAYNFW-SJLPKXTDSA-N 2 1 285.435 3.180 20 30 CGEDMP C=C(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779135 378687140 /nfs/dbraw/zinc/68/71/40/378687140.db2.gz MSVWBGJOLUTUFR-HLLBOEOZSA-N 2 1 258.409 3.018 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274861700 378907231 /nfs/dbraw/zinc/90/72/31/378907231.db2.gz ULSLUSYGDNMWGU-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274861700 378907236 /nfs/dbraw/zinc/90/72/36/378907236.db2.gz ULSLUSYGDNMWGU-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000349153393 379174626 /nfs/dbraw/zinc/17/46/26/379174626.db2.gz RWRNEXXWPBUGSA-LJQANCHMSA-N 2 1 297.446 3.030 20 30 CGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000267155498 190307262 /nfs/dbraw/zinc/30/72/62/190307262.db2.gz DHZWJWQTCVUGDH-UHFFFAOYSA-N 2 1 283.419 3.055 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)cc1 ZINC000279010024 194248975 /nfs/dbraw/zinc/24/89/75/194248975.db2.gz SRTHPPZHQXLGFQ-RDJZCZTQSA-N 2 1 294.402 3.058 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000420313269 380849292 /nfs/dbraw/zinc/84/92/92/380849292.db2.gz XVWJOOOSNDHPCZ-HNNXBMFYSA-N 2 1 250.430 3.054 20 30 CGEDMP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866306 382321048 /nfs/dbraw/zinc/32/10/48/382321048.db2.gz AWLQWRKMNQJGQS-SJLPKXTDSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)CC1CCCCC1 ZINC000346281338 393082337 /nfs/dbraw/zinc/08/23/37/393082337.db2.gz TWMPLSCEMZNBQS-UHFFFAOYSA-N 2 1 261.413 3.260 20 30 CGEDMP C=CC[N@H+](CCn1cc[nH+]c1C)CC1CCCCC1 ZINC000346281338 393082345 /nfs/dbraw/zinc/08/23/45/393082345.db2.gz TWMPLSCEMZNBQS-UHFFFAOYSA-N 2 1 261.413 3.260 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000661114478 419231209 /nfs/dbraw/zinc/23/12/09/419231209.db2.gz IHLSNPHJEIIGPO-GOEBONIOSA-N 2 1 261.413 3.077 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466063 419615739 /nfs/dbraw/zinc/61/57/39/419615739.db2.gz NRBPFYFNQKIVAV-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663469476 419620431 /nfs/dbraw/zinc/62/04/31/419620431.db2.gz PORMNSULSPDLMV-FUHWJXTLSA-N 2 1 276.468 3.443 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000274791571 263030380 /nfs/dbraw/zinc/03/03/80/263030380.db2.gz CAZPCNRTWFJFKX-WMZOPIPTSA-N 2 1 299.462 3.426 20 30 CGEDMP C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119700054 263276993 /nfs/dbraw/zinc/27/69/93/263276993.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 2 1 299.462 3.380 20 30 CGEDMP C[NH+](CCC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119700054 263276995 /nfs/dbraw/zinc/27/69/95/263276995.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 2 1 299.462 3.380 20 30 CGEDMP C[NH+](CCC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119700054 263276997 /nfs/dbraw/zinc/27/69/97/263276997.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 2 1 299.462 3.380 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362912345 267059421 /nfs/dbraw/zinc/05/94/21/267059421.db2.gz GEQFHIVKIZZBFQ-UHFFFAOYSA-N 2 1 262.441 3.339 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558419136 327092722 /nfs/dbraw/zinc/09/27/22/327092722.db2.gz ORDOWSHPBFZFFX-JKSUJKDBSA-N 2 1 252.446 3.441 20 30 CGEDMP CC#CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000155371826 327392249 /nfs/dbraw/zinc/39/22/49/327392249.db2.gz MCPYDAMZPWOXPU-UHFFFAOYSA-N 2 1 284.447 3.244 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000583006524 329301269 /nfs/dbraw/zinc/30/12/69/329301269.db2.gz RUOWBIKUBFZLBP-AWEZNQCLSA-N 2 1 252.446 3.441 20 30 CGEDMP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185796800 329331944 /nfs/dbraw/zinc/33/19/44/329331944.db2.gz QHLOVRYTKBWRIU-ZOFXXKQRSA-N 2 1 277.456 3.025 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990908 330163166 /nfs/dbraw/zinc/16/31/66/330163166.db2.gz AIZIYRLHRNHNIL-XIRDDKMYSA-N 2 1 258.409 3.424 20 30 CGEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424190718 330323076 /nfs/dbraw/zinc/32/30/76/330323076.db2.gz GGKSQCKCLVQRHR-ZWKOTPCHSA-N 2 1 299.462 3.426 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449382314 330921106 /nfs/dbraw/zinc/92/11/06/330921106.db2.gz BYODHDNDMUUOBW-IKGGRYGDSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(CC)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449732881 330946290 /nfs/dbraw/zinc/94/62/90/330946290.db2.gz DYVDCMYIYQMCJF-UHFFFAOYSA-N 2 1 290.426 3.388 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1c1ccccc1 ZINC000453298738 331112814 /nfs/dbraw/zinc/11/28/14/331112814.db2.gz XZCRSFOCJIUUTO-DSLXNQLJSA-N 2 1 297.446 3.494 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1c1ccccc1 ZINC000453298738 331112815 /nfs/dbraw/zinc/11/28/15/331112815.db2.gz XZCRSFOCJIUUTO-DSLXNQLJSA-N 2 1 297.446 3.494 20 30 CGEDMP C=CC[C@@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@@H]1CC=C ZINC000934462098 618625287 /nfs/dbraw/zinc/62/52/87/618625287.db2.gz VCIOJNZEWBXEPP-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=CC[C@@H]1CC[N@H+]1CCCCC[NH+]1CC[C@@H]1CC=C ZINC000934462098 618625290 /nfs/dbraw/zinc/62/52/90/618625290.db2.gz VCIOJNZEWBXEPP-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=CC[C@@H]1CC[N@@H+]1CCCCC[NH+]1CC[C@@H]1CC=C ZINC000934462098 618625291 /nfs/dbraw/zinc/62/52/91/618625291.db2.gz VCIOJNZEWBXEPP-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158472720 618637322 /nfs/dbraw/zinc/63/73/22/618637322.db2.gz GXORRYAPTBYTDZ-CVEARBPZSA-N 2 1 252.446 3.373 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000793539723 619730778 /nfs/dbraw/zinc/73/07/78/619730778.db2.gz GVLIPTFZXSCDPA-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380023 619817523 /nfs/dbraw/zinc/81/75/23/619817523.db2.gz XCIBOXLKRHMLEA-CRAIPNDOSA-N 2 1 285.435 3.110 20 30 CGEDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903018213 621520929 /nfs/dbraw/zinc/52/09/29/621520929.db2.gz YYSUWOPROYMJNZ-YJBOKZPZSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376163 621721044 /nfs/dbraw/zinc/72/10/44/621721044.db2.gz AOXOOKWVMSTGGI-NXHRZFHOSA-N 2 1 287.451 3.409 20 30 CGEDMP C#CC[NH+](C/C=C\C[N@H+](CC#C)C1CCCC1)C1CCCC1 ZINC000756912272 626741046 /nfs/dbraw/zinc/74/10/46/626741046.db2.gz OELMEMVLHQDCEC-KTKRTIGZSA-N 2 1 298.474 3.298 20 30 CGEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000764431863 627207332 /nfs/dbraw/zinc/20/73/32/627207332.db2.gz HNHYJZNEXARTAF-INIZCTEOSA-N 2 1 288.435 3.081 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000768262916 627471687 /nfs/dbraw/zinc/47/16/87/627471687.db2.gz LYFXICFWPJNMEO-UHFFFAOYSA-N 2 1 293.414 3.252 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000815652011 631813398 /nfs/dbraw/zinc/81/33/98/631813398.db2.gz LNZFUAFCVPKFFQ-NVXWUHKLSA-N 2 1 270.420 3.088 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000815652011 631813399 /nfs/dbraw/zinc/81/33/99/631813399.db2.gz LNZFUAFCVPKFFQ-NVXWUHKLSA-N 2 1 270.420 3.088 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000815652175 631813544 /nfs/dbraw/zinc/81/35/44/631813544.db2.gz SCOYREHBYCWPNW-HNNXBMFYSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000815652175 631813547 /nfs/dbraw/zinc/81/35/47/631813547.db2.gz SCOYREHBYCWPNW-HNNXBMFYSA-N 2 1 290.476 3.404 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872032840 633951566 /nfs/dbraw/zinc/95/15/66/633951566.db2.gz AZVHPYCCDVSBMG-DLBZAZTESA-N 2 1 294.483 3.210 20 30 CGEDMP CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227157 636164011 /nfs/dbraw/zinc/16/40/11/636164011.db2.gz HTAPPNHCARBCGG-BBWFWOEESA-N 2 1 282.472 3.318 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850341151 637020980 /nfs/dbraw/zinc/02/09/80/637020980.db2.gz ASSNOBZILPVFPU-UKRRQHHQSA-N 2 1 293.480 3.429 20 30 CGEDMP C=CCCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931313497 639132636 /nfs/dbraw/zinc/13/26/36/639132636.db2.gz CCOFJCNBIONFIB-HZPDHXFCSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001253240086 806190745 /nfs/dbraw/zinc/19/07/45/806190745.db2.gz YQUDBTGPLQXPEZ-SFHVURJKSA-N 2 1 296.499 3.148 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001253252236 806196626 /nfs/dbraw/zinc/19/66/26/806196626.db2.gz STQYLKTVNJXVOX-SFHVURJKSA-N 2 1 294.483 3.090 20 30 CGEDMP SCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130308 806550425 /nfs/dbraw/zinc/55/04/25/806550425.db2.gz SOEYSCWKDRFRQX-OSYLJGHBSA-N 2 1 290.476 3.092 20 30 CGEDMP CC[C@H](CC#N)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255161257 806559464 /nfs/dbraw/zinc/55/94/64/806559464.db2.gz XCAYASHLILOXGX-KZNAEPCWSA-N 2 1 285.435 3.451 20 30 CGEDMP C[N@@H+](Cc1cccc(C#N)c1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255682922 806703628 /nfs/dbraw/zinc/70/36/28/806703628.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255682922 806703632 /nfs/dbraw/zinc/70/36/32/806703632.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255682922 806703635 /nfs/dbraw/zinc/70/36/35/806703635.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000328022659 799250544 /nfs/dbraw/zinc/25/05/44/799250544.db2.gz SSSPWXOBRNWHHK-OAHLLOKOSA-N 2 1 284.403 3.347 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000328022659 799250545 /nfs/dbraw/zinc/25/05/45/799250545.db2.gz SSSPWXOBRNWHHK-OAHLLOKOSA-N 2 1 284.403 3.347 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529999 806910841 /nfs/dbraw/zinc/91/08/41/806910841.db2.gz HNYUGQJBLXWHBW-QXAKKESOSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529999 806910844 /nfs/dbraw/zinc/91/08/44/806910844.db2.gz HNYUGQJBLXWHBW-QXAKKESOSA-N 2 1 284.447 3.431 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001245982897 804093919 /nfs/dbraw/zinc/09/39/19/804093919.db2.gz HBLIWQKKFUDELW-DLBZAZTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](CC)C[NH3+] ZINC001246000872 804099013 /nfs/dbraw/zinc/09/90/13/804099013.db2.gz MLEMUBBVCOGKRC-HOTGVXAUSA-N 2 1 272.477 3.205 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035193 804102039 /nfs/dbraw/zinc/10/20/39/804102039.db2.gz ZTEQGPWKYQZZCH-ZWKOTPCHSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035193 804102041 /nfs/dbraw/zinc/10/20/41/804102041.db2.gz ZTEQGPWKYQZZCH-ZWKOTPCHSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246049594 804105424 /nfs/dbraw/zinc/10/54/24/804105424.db2.gz RTGVLSZLKKMFJI-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246049594 804105427 /nfs/dbraw/zinc/10/54/27/804105427.db2.gz RTGVLSZLKKMFJI-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001246069468 804108424 /nfs/dbraw/zinc/10/84/24/804108424.db2.gz XYACMDNMUWPPIY-QZTJIDSGSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC001246071635 804110389 /nfs/dbraw/zinc/11/03/89/804110389.db2.gz SDNYWQABRSXECC-SFHVURJKSA-N 2 1 296.499 3.338 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246317858 804276590 /nfs/dbraw/zinc/27/65/90/804276590.db2.gz OICZWAIQKPOEEF-KFWWJZLASA-N 2 1 288.435 3.431 20 30 CGEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246326409 804283279 /nfs/dbraw/zinc/28/32/79/804283279.db2.gz OLQPTDMQHSWZHU-UJPJLTBQSA-N 2 1 297.446 3.315 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246330407 804286861 /nfs/dbraw/zinc/28/68/61/804286861.db2.gz ZAWGPSQITKQKRJ-SOUVJXGZSA-N 2 1 274.408 3.043 20 30 CGEDMP C#C[C@H]1CCC[N@H+](Cc2ccccc2-n2ccnc2C)C1 ZINC001140026654 804354990 /nfs/dbraw/zinc/35/49/90/804354990.db2.gz OUUXJNTUGWKQAQ-INIZCTEOSA-N 2 1 279.387 3.026 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596072 804437636 /nfs/dbraw/zinc/43/76/36/804437636.db2.gz YTVBSSLKCZWWPZ-KKUMJFAQSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246596072 804437641 /nfs/dbraw/zinc/43/76/41/804437641.db2.gz YTVBSSLKCZWWPZ-KKUMJFAQSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246617299 804452528 /nfs/dbraw/zinc/45/25/28/804452528.db2.gz IQMMLIASLUAXHD-IAGOWNOFSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246617299 804452530 /nfs/dbraw/zinc/45/25/30/804452530.db2.gz IQMMLIASLUAXHD-IAGOWNOFSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645984 804473750 /nfs/dbraw/zinc/47/37/50/804473750.db2.gz FLDNRGXBRVPKIG-OAGGEKHMSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655243 804480303 /nfs/dbraw/zinc/48/03/03/804480303.db2.gz GYFQVRGEKLSXHV-OAGGEKHMSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246655243 804480305 /nfs/dbraw/zinc/48/03/05/804480305.db2.gz GYFQVRGEKLSXHV-OAGGEKHMSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246660689 804483263 /nfs/dbraw/zinc/48/32/63/804483263.db2.gz IYKJUMQSSRIWAI-JONQDZQNSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246664220 804486318 /nfs/dbraw/zinc/48/63/18/804486318.db2.gz LRZOLMPDTDWLCJ-ULQDDVLXSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246664220 804486322 /nfs/dbraw/zinc/48/63/22/804486322.db2.gz LRZOLMPDTDWLCJ-ULQDDVLXSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687846 804498047 /nfs/dbraw/zinc/49/80/47/804498047.db2.gz XJVKBYMRPBIWIA-BRSBDYLESA-N 2 1 294.483 3.188 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246770104 804502894 /nfs/dbraw/zinc/50/28/94/804502894.db2.gz NOVBKFUFAQLAHM-AWEZNQCLSA-N 2 1 270.486 3.126 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789646 804513672 /nfs/dbraw/zinc/51/36/72/804513672.db2.gz DGMDKXDAKCAPMU-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907207 804591829 /nfs/dbraw/zinc/59/18/29/804591829.db2.gz IPIDIYFQQOOPMB-PIIMJCKOSA-N 2 1 285.435 3.299 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246941033 804610778 /nfs/dbraw/zinc/61/07/78/804610778.db2.gz XVDNBUHALSXUES-QGZVFWFLSA-N 2 1 295.515 3.153 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H](C1)C2 ZINC001257891421 807241319 /nfs/dbraw/zinc/24/13/19/807241319.db2.gz LNZPPACJISVYTR-WXCOAYGQSA-N 2 1 274.452 3.005 20 30 CGEDMP CCCCCCC[C@@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258042892 807272461 /nfs/dbraw/zinc/27/24/61/807272461.db2.gz CWVGLFVUFJLLSV-QGZVFWFLSA-N 2 1 283.504 3.092 20 30 CGEDMP C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968952 807288875 /nfs/dbraw/zinc/28/88/75/807288875.db2.gz XJATXPJVOPIKGV-IHWFROFDSA-N 2 1 294.442 3.163 20 30 CGEDMP C#C[C@](C)(CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135470 807319918 /nfs/dbraw/zinc/31/99/18/807319918.db2.gz JDIBOJKXXPVFOK-LJQANCHMSA-N 2 1 284.447 3.085 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258722412 807571273 /nfs/dbraw/zinc/57/12/73/807571273.db2.gz IDRTVLDOTSCOTH-CQSZACIVSA-N 2 1 276.399 3.430 20 30 CGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091173 807571843 /nfs/dbraw/zinc/57/18/43/807571843.db2.gz OPZAXCIJKCJJMM-OSYLJGHBSA-N 2 1 283.419 3.008 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169725421 807698582 /nfs/dbraw/zinc/69/85/82/807698582.db2.gz GWYRLTLFFFQJGK-GOSISDBHSA-N 2 1 281.403 3.259 20 30 CGEDMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC001172100967 808172537 /nfs/dbraw/zinc/17/25/37/808172537.db2.gz VHHAQOCDEMATES-NKGKWGDASA-N 2 1 283.419 3.224 20 30 CGEDMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC001172100967 808172540 /nfs/dbraw/zinc/17/25/40/808172540.db2.gz VHHAQOCDEMATES-NKGKWGDASA-N 2 1 283.419 3.224 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119369 808184420 /nfs/dbraw/zinc/18/44/20/808184420.db2.gz YXCBPGNLXZZDMJ-YYAJDYIMSA-N 2 1 295.430 3.150 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119369 808184422 /nfs/dbraw/zinc/18/44/22/808184422.db2.gz YXCBPGNLXZZDMJ-YYAJDYIMSA-N 2 1 295.430 3.150 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172311174 808222781 /nfs/dbraw/zinc/22/27/81/808222781.db2.gz QGBSGKOPJMMUSI-OAHLLOKOSA-N 2 1 297.446 3.048 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172311174 808222786 /nfs/dbraw/zinc/22/27/86/808222786.db2.gz QGBSGKOPJMMUSI-OAHLLOKOSA-N 2 1 297.446 3.048 20 30 CGEDMP CCCCCCCC[C@@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172504123 808360536 /nfs/dbraw/zinc/36/05/36/808360536.db2.gz VIVCXMAVDPFWTD-HZPDHXFCSA-N 2 1 295.471 3.447 20 30 CGEDMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001173114458 808513822 /nfs/dbraw/zinc/51/38/22/808513822.db2.gz LDUMHZDBSYXPAX-GTPINHCMSA-N 2 1 277.456 3.265 20 30 CGEDMP N#CCC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001173334727 808617893 /nfs/dbraw/zinc/61/78/93/808617893.db2.gz WIGYSGUUPMNKCG-VJFUWPCTSA-N 2 1 289.467 3.313 20 30 CGEDMP N#CCC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001173334727 808617898 /nfs/dbraw/zinc/61/78/98/808617898.db2.gz WIGYSGUUPMNKCG-VJFUWPCTSA-N 2 1 289.467 3.313 20 30 CGEDMP C=CCCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276041317 808986027 /nfs/dbraw/zinc/98/60/27/808986027.db2.gz JUBFIYHWQLBPTD-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276041317 808986029 /nfs/dbraw/zinc/98/60/29/808986029.db2.gz JUBFIYHWQLBPTD-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276041317 808986031 /nfs/dbraw/zinc/98/60/31/808986031.db2.gz JUBFIYHWQLBPTD-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=C(CC)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432619 /nfs/dbraw/zinc/43/26/19/811432619.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432628 /nfs/dbraw/zinc/43/26/28/811432628.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432634 /nfs/dbraw/zinc/43/26/34/811432634.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206025431 813170053 /nfs/dbraw/zinc/17/00/53/813170053.db2.gz OAFRMBDFKYXELS-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207292320 813535498 /nfs/dbraw/zinc/53/54/98/813535498.db2.gz NHXYGKKBGASAER-UHFFFAOYSA-N 2 1 258.409 3.016 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940504 813908084 /nfs/dbraw/zinc/90/80/84/813908084.db2.gz SLQCAXKKVIJEIC-UYAOXDASSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940504 813908091 /nfs/dbraw/zinc/90/80/91/813908091.db2.gz SLQCAXKKVIJEIC-UYAOXDASSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940504 813908098 /nfs/dbraw/zinc/90/80/98/813908098.db2.gz SLQCAXKKVIJEIC-UYAOXDASSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209162929 813953242 /nfs/dbraw/zinc/95/32/42/813953242.db2.gz OWMAYUGIMQVXDX-JKSUJKDBSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209162929 813953249 /nfs/dbraw/zinc/95/32/49/813953249.db2.gz OWMAYUGIMQVXDX-JKSUJKDBSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209162929 813953257 /nfs/dbraw/zinc/95/32/57/813953257.db2.gz OWMAYUGIMQVXDX-JKSUJKDBSA-N 2 1 250.430 3.291 20 30 CGEDMP C#CCCC[NH+]1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001209266381 813988270 /nfs/dbraw/zinc/98/82/70/813988270.db2.gz WHJCFOTZFUPJTF-UHFFFAOYSA-N 2 1 284.447 3.386 20 30 CGEDMP C#CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268295 813989557 /nfs/dbraw/zinc/98/95/57/813989557.db2.gz FGRPHDLHYQIGNC-PMACEKPBSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268295 813989563 /nfs/dbraw/zinc/98/95/63/813989563.db2.gz FGRPHDLHYQIGNC-PMACEKPBSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268295 813989570 /nfs/dbraw/zinc/98/95/70/813989570.db2.gz FGRPHDLHYQIGNC-PMACEKPBSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161926 816365734 /nfs/dbraw/zinc/36/57/34/816365734.db2.gz UADJNAHSBBBGII-INIZCTEOSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238092 816383367 /nfs/dbraw/zinc/38/33/67/816383367.db2.gz ZPFQALRYDRRMOG-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385326 816425740 /nfs/dbraw/zinc/42/57/40/816425740.db2.gz JUZYJLIMPWCUKE-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385326 816425743 /nfs/dbraw/zinc/42/57/43/816425743.db2.gz JUZYJLIMPWCUKE-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP N#CCC[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001232014738 818232937 /nfs/dbraw/zinc/23/29/37/818232937.db2.gz OENPHQQXHQVLCH-UHFFFAOYSA-N 2 1 268.364 3.221 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC001235105487 819004485 /nfs/dbraw/zinc/00/44/85/819004485.db2.gz FMMCTFWYZRLWAW-MRXNPFEDSA-N 2 1 260.425 3.117 20 30 CGEDMP CCCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264345 819058208 /nfs/dbraw/zinc/05/82/08/819058208.db2.gz WYXKOFYOAVXSLN-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CCCCCCCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842359 819183028 /nfs/dbraw/zinc/18/30/28/819183028.db2.gz OICQQPGRGTYZLN-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960471 819249922 /nfs/dbraw/zinc/24/99/22/819249922.db2.gz WPGULUSJJMRHMW-MUJYYYPQSA-N 2 1 250.430 3.182 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981088 819256096 /nfs/dbraw/zinc/25/60/96/819256096.db2.gz UKIBBLQVMZNSAA-HZPDHXFCSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CCCCC[N@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236085031 819306460 /nfs/dbraw/zinc/30/64/60/819306460.db2.gz JEFYFECRGROJIQ-UHFFFAOYSA-N 2 1 258.409 3.120 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC001236434407 819478442 /nfs/dbraw/zinc/47/84/42/819478442.db2.gz SGFPHNYIAIFUOY-OAHLLOKOSA-N 2 1 250.430 3.339 20 30 CGEDMP C#CCCC[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236493470 819502936 /nfs/dbraw/zinc/50/29/36/819502936.db2.gz UKUIKXASDOIKCD-UHFFFAOYSA-N 2 1 288.410 3.102 20 30 CGEDMP C#CCCC[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001236493470 819502944 /nfs/dbraw/zinc/50/29/44/819502944.db2.gz UKUIKXASDOIKCD-UHFFFAOYSA-N 2 1 288.410 3.102 20 30 CGEDMP C=CCCCC[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359875 819735241 /nfs/dbraw/zinc/73/52/41/819735241.db2.gz QRRYBZDOPLAKIX-UHFFFAOYSA-N 2 1 270.420 3.437 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)[C@H](C)C1 ZINC001173332622 928227885 /nfs/dbraw/zinc/22/78/85/928227885.db2.gz PPXIASBUKDBQNB-RDHHWEPZSA-N 2 1 277.456 3.167 20 30 CGEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1C#N ZINC001333840795 936070983 /nfs/dbraw/zinc/07/09/83/936070983.db2.gz IGEHGMWGPVJVMS-FHWLQOOXSA-N 2 1 297.446 3.029 20 30 CGEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC001336762881 936215757 /nfs/dbraw/zinc/21/57/57/936215757.db2.gz LRWWOFWHDMHGIH-GOSISDBHSA-N 2 1 298.434 3.060 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC001336762881 936215762 /nfs/dbraw/zinc/21/57/62/936215762.db2.gz LRWWOFWHDMHGIH-GOSISDBHSA-N 2 1 298.434 3.060 20 30 CGEDMP C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001574907649 962329575 /nfs/dbraw/zinc/32/95/75/962329575.db2.gz VNMNJWYMWCETEC-BRWVUGGUSA-N 2 1 280.456 3.094 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001579554075 962638615 /nfs/dbraw/zinc/63/86/15/962638615.db2.gz MPJODGHQLJJKOF-HKUYNNGSSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000651706050 398271828 /nfs/dbraw/zinc/27/18/28/398271828.db2.gz QGWFMFPCKFONEL-ZACQAIPSSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000068481740 345354205 /nfs/dbraw/zinc/35/42/05/345354205.db2.gz SZXOUXQGAZIKKP-OAHLLOKOSA-N 2 1 271.408 3.064 20 30 CGEDMP N#Cc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)cc1 ZINC000594520116 347189007 /nfs/dbraw/zinc/18/90/07/347189007.db2.gz ZLYRCMLPGGYPGJ-UHFFFAOYSA-N 2 1 295.430 3.154 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924651 347230867 /nfs/dbraw/zinc/23/08/67/347230867.db2.gz KHOVEHRICRNFCK-KRWDZBQOSA-N 2 1 297.446 3.063 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928062 347231630 /nfs/dbraw/zinc/23/16/30/347231630.db2.gz UDRGSEUAGXUMJP-QGZVFWFLSA-N 2 1 297.446 3.063 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928060 347231879 /nfs/dbraw/zinc/23/18/79/347231879.db2.gz UDRGSEUAGXUMJP-KRWDZBQOSA-N 2 1 297.446 3.063 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982835 347703893 /nfs/dbraw/zinc/70/38/93/347703893.db2.gz QDIUJRKJEKGTEZ-AEFFLSMTSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000602503871 347971578 /nfs/dbraw/zinc/97/15/78/347971578.db2.gz NMIBPVZFVNJMNQ-MRXNPFEDSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000602513796 347973764 /nfs/dbraw/zinc/97/37/64/347973764.db2.gz IWNGVOSGJHLXIH-GOEBONIOSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602727643 348019255 /nfs/dbraw/zinc/01/92/55/348019255.db2.gz FWDBRJKPYPSNLX-LMMKCTJWSA-N 2 1 299.462 3.284 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC000603110036 348059955 /nfs/dbraw/zinc/05/99/55/348059955.db2.gz KGLVKWQSCWQGGA-UHFFFAOYSA-N 2 1 285.435 3.256 20 30 CGEDMP C=CCC1([NH2+]CCCc2c[nH+]cn2C)CCCCC1 ZINC000625934331 350233264 /nfs/dbraw/zinc/23/32/64/350233264.db2.gz KCCOUPCWMYHIJH-UHFFFAOYSA-N 2 1 261.413 3.221 20 30 CGEDMP C=CCOc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435381654 372756367 /nfs/dbraw/zinc/75/63/67/372756367.db2.gz VDVBHWSJQJIQKA-QGZVFWFLSA-N 2 1 288.435 3.215 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442711468 373066772 /nfs/dbraw/zinc/06/67/72/373066772.db2.gz RWJOZGMKRGADCC-LPHOPBHVSA-N 2 1 297.446 3.241 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062554 373658950 /nfs/dbraw/zinc/65/89/50/373658950.db2.gz MGGUBKGTMIAUKR-KLAILNCOSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000449094154 373661327 /nfs/dbraw/zinc/66/13/27/373661327.db2.gz QNCGACHJULKSGN-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCN1C ZINC000181574828 374142376 /nfs/dbraw/zinc/14/23/76/374142376.db2.gz JQMIHSWCZRFBMK-XIRDDKMYSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000181574828 374142382 /nfs/dbraw/zinc/14/23/82/374142382.db2.gz JQMIHSWCZRFBMK-XIRDDKMYSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574828 374142388 /nfs/dbraw/zinc/14/23/88/374142388.db2.gz JQMIHSWCZRFBMK-XIRDDKMYSA-N 2 1 271.408 3.104 20 30 CGEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855784 /nfs/dbraw/zinc/85/57/84/374855784.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855793 /nfs/dbraw/zinc/85/57/93/374855793.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557479 374855801 /nfs/dbraw/zinc/85/58/01/374855801.db2.gz HILARIDLGOBJJP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192178611 375707893 /nfs/dbraw/zinc/70/78/93/375707893.db2.gz XOHCWJIHICVNNA-PKOBYXMFSA-N 2 1 296.458 3.281 20 30 CGEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178611 375707901 /nfs/dbraw/zinc/70/79/01/375707901.db2.gz XOHCWJIHICVNNA-PKOBYXMFSA-N 2 1 296.458 3.281 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000542475447 376546705 /nfs/dbraw/zinc/54/67/05/376546705.db2.gz WOZOMWJSXYTAGA-HLLBOEOZSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247502071 377215253 /nfs/dbraw/zinc/21/52/53/377215253.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247502071 377215262 /nfs/dbraw/zinc/21/52/62/377215262.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247502071 377215265 /nfs/dbraw/zinc/21/52/65/377215265.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247502071 377215274 /nfs/dbraw/zinc/21/52/74/377215274.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248735758 377392217 /nfs/dbraw/zinc/39/22/17/377392217.db2.gz DOQQYOFBNLFFLB-PMPSAXMXSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248735758 377392231 /nfs/dbraw/zinc/39/22/31/377392231.db2.gz DOQQYOFBNLFFLB-PMPSAXMXSA-N 2 1 277.456 3.169 20 30 CGEDMP Cc1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000443984857 249137880 /nfs/dbraw/zinc/13/78/80/249137880.db2.gz UDCNPLMLPHIAOU-HZPDHXFCSA-N 2 1 299.462 3.324 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000271708790 378501570 /nfs/dbraw/zinc/50/15/70/378501570.db2.gz NYPSULPUBYAKHV-QGZVFWFLSA-N 2 1 271.408 3.105 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346686866 378674933 /nfs/dbraw/zinc/67/49/33/378674933.db2.gz UWGJCGKEZUBQLC-KRWDZBQOSA-N 2 1 276.424 3.057 20 30 CGEDMP C=C(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779133 378687642 /nfs/dbraw/zinc/68/76/42/378687642.db2.gz MSVWBGJOLUTUFR-BFYDXBDKSA-N 2 1 258.409 3.018 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861709 378909157 /nfs/dbraw/zinc/90/91/57/378909157.db2.gz ULSLUSYGDNMWGU-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861709 378909163 /nfs/dbraw/zinc/90/91/63/378909163.db2.gz ULSLUSYGDNMWGU-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274875541 378911818 /nfs/dbraw/zinc/91/18/18/378911818.db2.gz YGILLXBSPWSRKD-RDJZCZTQSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274875541 378911820 /nfs/dbraw/zinc/91/18/20/378911820.db2.gz YGILLXBSPWSRKD-RDJZCZTQSA-N 2 1 258.409 3.063 20 30 CGEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385674 380615754 /nfs/dbraw/zinc/61/57/54/380615754.db2.gz MEYRCDVRWLKVKH-TUFGIGEDSA-N 2 1 297.446 3.254 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782293 /nfs/dbraw/zinc/78/22/93/392782293.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782300 /nfs/dbraw/zinc/78/23/00/392782300.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782302 /nfs/dbraw/zinc/78/23/02/392782302.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336004026 392827579 /nfs/dbraw/zinc/82/75/79/392827579.db2.gz NMVTYSCFBQZHIA-GOSISDBHSA-N 2 1 283.419 3.008 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683926898 543954424 /nfs/dbraw/zinc/95/44/24/543954424.db2.gz JHPMRANCPGUUBZ-UHFFFAOYSA-N 2 1 283.419 3.298 20 30 CGEDMP C=CCOc1ccccc1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523849 419298152 /nfs/dbraw/zinc/29/81/52/419298152.db2.gz LIPZDMINFCHQDK-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523849 419298153 /nfs/dbraw/zinc/29/81/53/419298153.db2.gz LIPZDMINFCHQDK-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000657844155 419385754 /nfs/dbraw/zinc/38/57/54/419385754.db2.gz IMNNKVREAJPAOJ-HOTGVXAUSA-N 2 1 261.413 3.306 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000174870690 329164231 /nfs/dbraw/zinc/16/42/31/329164231.db2.gz QFZQMJYJBNCKTM-MRXNPFEDSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895728 329334657 /nfs/dbraw/zinc/33/46/57/329334657.db2.gz WLHWAMKJPGBLSG-YYIAUSFCSA-N 2 1 289.467 3.311 20 30 CGEDMP C=C(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000423024011 330166042 /nfs/dbraw/zinc/16/60/42/330166042.db2.gz IKEOWDVYIDAMJB-LPHOPBHVSA-N 2 1 280.415 3.248 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)C1CC1 ZINC000120097142 330384566 /nfs/dbraw/zinc/38/45/66/330384566.db2.gz UNMWLRYXSFDDSK-JKSUJKDBSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490894797 332126453 /nfs/dbraw/zinc/12/64/53/332126453.db2.gz OKHGLYIFDDNUSN-UHFFFAOYSA-N 2 1 284.447 3.305 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665021 332273809 /nfs/dbraw/zinc/27/38/09/332273809.db2.gz KCBALRZSORMWKP-MSOLQXFVSA-N 2 1 282.431 3.185 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665021 332273810 /nfs/dbraw/zinc/27/38/10/332273810.db2.gz KCBALRZSORMWKP-MSOLQXFVSA-N 2 1 282.431 3.185 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000539202604 333661117 /nfs/dbraw/zinc/66/11/17/333661117.db2.gz QAMIXKPJBVQZAD-SJORKVTESA-N 2 1 262.441 3.195 20 30 CGEDMP C=CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352830447 527328000 /nfs/dbraw/zinc/32/80/00/527328000.db2.gz KBHVJRMUNWBVOD-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352830447 527328007 /nfs/dbraw/zinc/32/80/07/527328007.db2.gz KBHVJRMUNWBVOD-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352830447 527328010 /nfs/dbraw/zinc/32/80/10/527328010.db2.gz KBHVJRMUNWBVOD-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925810986 619259301 /nfs/dbraw/zinc/25/93/01/619259301.db2.gz BPIOPUJYPFOJRA-XJKSGUPXSA-N 2 1 289.398 3.098 20 30 CGEDMP C=C(Cl)C[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052209646 620326176 /nfs/dbraw/zinc/32/61/76/620326176.db2.gz MAHJZXCLOMPLLU-UHFFFAOYSA-N 2 1 258.837 3.183 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000903105985 621577762 /nfs/dbraw/zinc/57/77/62/621577762.db2.gz KBYUJQUEOTWCKG-UHFFFAOYSA-N 2 1 297.446 3.323 20 30 CGEDMP C=CC[N@@H+](CCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887310 621822322 /nfs/dbraw/zinc/82/23/22/621822322.db2.gz YMVLVOMZUDLLPH-YQQQUEKLSA-N 2 1 284.447 3.248 20 30 CGEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848763 623859800 /nfs/dbraw/zinc/85/98/00/623859800.db2.gz UFPZIPWQNPLVNF-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848763 623859801 /nfs/dbraw/zinc/85/98/01/623859801.db2.gz UFPZIPWQNPLVNF-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(F)c2)CC1 ZINC000765837419 627274307 /nfs/dbraw/zinc/27/43/07/627274307.db2.gz WNVKYBFBVXXFTI-HNNXBMFYSA-N 2 1 290.426 3.387 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877070846 634971184 /nfs/dbraw/zinc/97/11/84/634971184.db2.gz XDXZKTKFOYKSPZ-PKOBYXMFSA-N 2 1 282.431 3.358 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877070846 634971189 /nfs/dbraw/zinc/97/11/89/634971189.db2.gz XDXZKTKFOYKSPZ-PKOBYXMFSA-N 2 1 282.431 3.358 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCCO1 ZINC000883185915 636572341 /nfs/dbraw/zinc/57/23/41/636572341.db2.gz GRCRMGSDWQHVDP-SQNIBIBYSA-N 2 1 294.483 3.210 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737297 638805358 /nfs/dbraw/zinc/80/53/58/638805358.db2.gz FAFPKXVULINHOL-HOCLYGCPSA-N 2 1 277.456 3.026 20 30 CGEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252604101 806083547 /nfs/dbraw/zinc/08/35/47/806083547.db2.gz MWSYRHVZERBRBG-GOSISDBHSA-N 2 1 294.483 3.042 20 30 CGEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001254527995 806443437 /nfs/dbraw/zinc/44/34/37/806443437.db2.gz APNSCMIQVWWCKR-IBGZPJMESA-N 2 1 297.446 3.222 20 30 CGEDMP CCC(CC)[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254648911 806472503 /nfs/dbraw/zinc/47/25/03/806472503.db2.gz PDCJBAOGXCNMCD-MUIFIZLQSA-N 2 1 277.456 3.439 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001254660328 806478492 /nfs/dbraw/zinc/47/84/92/806478492.db2.gz XHEAWTWEWUCLIY-DLBZAZTESA-N 2 1 287.451 3.019 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660328 806478496 /nfs/dbraw/zinc/47/84/96/806478496.db2.gz XHEAWTWEWUCLIY-DLBZAZTESA-N 2 1 287.451 3.019 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393810 806632824 /nfs/dbraw/zinc/63/28/24/806632824.db2.gz RKDJKZWTBUNUFK-RTBURBONSA-N 2 1 284.447 3.433 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000327968722 799248896 /nfs/dbraw/zinc/24/88/96/799248896.db2.gz FMNYDAJTCDYMFN-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000327968722 799248899 /nfs/dbraw/zinc/24/88/99/799248899.db2.gz FMNYDAJTCDYMFN-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381453892 799380627 /nfs/dbraw/zinc/38/06/27/799380627.db2.gz YXHPMKFQQBUXCI-KRWDZBQOSA-N 2 1 290.838 3.336 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000381453892 799380634 /nfs/dbraw/zinc/38/06/34/799380634.db2.gz YXHPMKFQQBUXCI-KRWDZBQOSA-N 2 1 290.838 3.336 20 30 CGEDMP C#CC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256560185 806915876 /nfs/dbraw/zinc/91/58/76/806915876.db2.gz PSSSXTYISZRGTB-PXNSSMCTSA-N 2 1 296.458 3.385 20 30 CGEDMP C#CC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256560185 806915879 /nfs/dbraw/zinc/91/58/79/806915879.db2.gz PSSSXTYISZRGTB-PXNSSMCTSA-N 2 1 296.458 3.385 20 30 CGEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800968 802604366 /nfs/dbraw/zinc/60/43/66/802604366.db2.gz JIJNFNBCRBXVBG-SJORKVTESA-N 2 1 270.420 3.213 20 30 CGEDMP C#CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800968 802604371 /nfs/dbraw/zinc/60/43/71/802604371.db2.gz JIJNFNBCRBXVBG-SJORKVTESA-N 2 1 270.420 3.213 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245995091 804095472 /nfs/dbraw/zinc/09/54/72/804095472.db2.gz SPACQGHZQYKDNO-ULQDDVLXSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020777 804099718 /nfs/dbraw/zinc/09/97/18/804099718.db2.gz MATSXLHZQORHCC-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246048854 804104650 /nfs/dbraw/zinc/10/46/50/804104650.db2.gz NZXKEMXXJYRRFT-ZWKOTPCHSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](CC)C1CCN(C)CC1 ZINC001139029839 804114910 /nfs/dbraw/zinc/11/49/10/804114910.db2.gz RDCQGKNVPKVOJF-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccccc1CN(CC)C1CC[NH+](C)CC1 ZINC001139029839 804114914 /nfs/dbraw/zinc/11/49/14/804114914.db2.gz RDCQGKNVPKVOJF-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246091086 804121947 /nfs/dbraw/zinc/12/19/47/804121947.db2.gz DBVXIIPUDFRBEL-UJPJLTBQSA-N 2 1 297.446 3.172 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]C[C@]3(C)CC[NH2+]CC3(F)F)C[C@H](C1)C2 ZINC001246221384 804216446 /nfs/dbraw/zinc/21/64/46/804216446.db2.gz NYEJVPASFJWYHV-QXULXFAOSA-N 2 1 298.421 3.346 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246241607 804233592 /nfs/dbraw/zinc/23/35/92/804233592.db2.gz TVBBWFOVAGKVGF-LSDHHAIUSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246267849 804247931 /nfs/dbraw/zinc/24/79/31/804247931.db2.gz ZNJLEPMMZADUIJ-BRWVUGGUSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246596191 804436581 /nfs/dbraw/zinc/43/65/81/804436581.db2.gz PLOJRJKARYJJHF-KRWDZBQOSA-N 2 1 295.515 3.153 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@]4(CC[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246630509 804461232 /nfs/dbraw/zinc/46/12/32/804461232.db2.gz PDTJRWYBUJZTDN-UJJTZGENSA-N 2 1 274.452 3.197 20 30 CGEDMP CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246632123 804462574 /nfs/dbraw/zinc/46/25/74/804462574.db2.gz UVJWPSIUQPZHNP-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665173 804486778 /nfs/dbraw/zinc/48/67/78/804486778.db2.gz SZPSLEYJGMNFFW-LVQVYYBASA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCCC[N@@H+](C)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246768978 804502216 /nfs/dbraw/zinc/50/22/16/804502216.db2.gz HLZQHRMKFZRKDO-XYPWUTKMSA-N 2 1 250.430 3.338 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246814936 804531727 /nfs/dbraw/zinc/53/17/27/804531727.db2.gz AJQRJTDKASHTSU-YZVOILCLSA-N 2 1 282.431 3.138 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246814936 804531730 /nfs/dbraw/zinc/53/17/30/804531730.db2.gz AJQRJTDKASHTSU-YZVOILCLSA-N 2 1 282.431 3.138 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246871073 804572784 /nfs/dbraw/zinc/57/27/84/804572784.db2.gz MTXOQNXUBXBYFT-WMZOPIPTSA-N 2 1 295.515 3.090 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001258006012 807264466 /nfs/dbraw/zinc/26/44/66/807264466.db2.gz CFMLXUBMGULRNX-UHFFFAOYSA-N 2 1 297.446 3.257 20 30 CGEDMP C[NH+](C)C1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001168323249 807383700 /nfs/dbraw/zinc/38/37/00/807383700.db2.gz WHVHQGSZLDPQOX-UHFFFAOYSA-N 2 1 263.429 3.017 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@@H](C)[NH3+])n2)cc1 ZINC001169237178 807611634 /nfs/dbraw/zinc/61/16/34/807611634.db2.gz LXHQDAKRMUIZRR-RDTXWAMCSA-N 2 1 296.418 3.215 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)(C)[NH3+])cc1 ZINC001171193900 808006739 /nfs/dbraw/zinc/00/67/39/808006739.db2.gz GIWOFOXINQXLLO-INIZCTEOSA-N 2 1 273.424 3.159 20 30 CGEDMP CC(C)[Si](C#C[NH2+]CC(C)(C)[NH3+])(C(C)C)C(C)C ZINC001171196502 808006838 /nfs/dbraw/zinc/00/68/38/808006838.db2.gz WDDRCOOIITUVHY-UHFFFAOYSA-N 2 1 268.521 3.492 20 30 CGEDMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](CC#N)C2)CC1(C)C ZINC001171639538 808111880 /nfs/dbraw/zinc/11/18/80/808111880.db2.gz ODRPLFGPSKTIBU-AWEZNQCLSA-N 2 1 277.456 3.263 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172296140 808218304 /nfs/dbraw/zinc/21/83/04/808218304.db2.gz XJSASHWXQAWQNU-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172304153 808222054 /nfs/dbraw/zinc/22/20/54/808222054.db2.gz ICESSZIXNMFRLH-QFBILLFUSA-N 2 1 299.462 3.330 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001172308611 808223488 /nfs/dbraw/zinc/22/34/88/808223488.db2.gz LLQLLPHMVXWBTN-MDZRGWNJSA-N 2 1 299.462 3.198 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172354482 808251115 /nfs/dbraw/zinc/25/11/15/808251115.db2.gz HMICDQQIFVQFSS-SFHVURJKSA-N 2 1 297.531 3.305 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277233263 809064419 /nfs/dbraw/zinc/06/44/19/809064419.db2.gz LXQJFXRTBWCSJW-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP N#CCCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277947928 809108478 /nfs/dbraw/zinc/10/84/78/809108478.db2.gz AQSCZKQBVMGMPU-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277947928 809108480 /nfs/dbraw/zinc/10/84/80/809108480.db2.gz AQSCZKQBVMGMPU-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277947928 809108483 /nfs/dbraw/zinc/10/84/83/809108483.db2.gz AQSCZKQBVMGMPU-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC001181588180 810060955 /nfs/dbraw/zinc/06/09/55/810060955.db2.gz HRDVAHCTWFIZLD-INIZCTEOSA-N 2 1 250.430 3.034 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC001181588180 810060959 /nfs/dbraw/zinc/06/09/59/810060959.db2.gz HRDVAHCTWFIZLD-INIZCTEOSA-N 2 1 250.430 3.034 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009448 812823153 /nfs/dbraw/zinc/82/31/53/812823153.db2.gz STBHOMSTFQHYJU-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC001205923682 813135199 /nfs/dbraw/zinc/13/51/99/813135199.db2.gz CQZUIMWESCAVLB-CVEARBPZSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206022856 813169304 /nfs/dbraw/zinc/16/93/04/813169304.db2.gz DELQCMRJQPOOBW-IUODEOHRSA-N 2 1 291.826 3.018 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269215 813264183 /nfs/dbraw/zinc/26/41/83/813264183.db2.gz GZPJSPIEOQBSKE-ZNFPLGDCSA-N 2 1 252.446 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269215 813264189 /nfs/dbraw/zinc/26/41/89/813264189.db2.gz GZPJSPIEOQBSKE-ZNFPLGDCSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CC[N@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001207486597 813574431 /nfs/dbraw/zinc/57/44/31/813574431.db2.gz LFXVVFFOMDDNOU-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209440154 814038320 /nfs/dbraw/zinc/03/83/20/814038320.db2.gz CKVYHYPIDGUMGI-HZPDHXFCSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422231 819092797 /nfs/dbraw/zinc/09/27/97/819092797.db2.gz AGYGRGGHOQZKOD-HOTGVXAUSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426196 819093388 /nfs/dbraw/zinc/09/33/88/819093388.db2.gz NWHZTURIUYACBM-DLBZAZTESA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235928861 819227513 /nfs/dbraw/zinc/22/75/13/819227513.db2.gz DKWCUKXDSFFWFM-LJFOUZCWSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235930279 819228234 /nfs/dbraw/zinc/22/82/34/819228234.db2.gz VKJMXBYGWZOURX-JKSUJKDBSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235961942 819249443 /nfs/dbraw/zinc/24/94/43/819249443.db2.gz IBJISBFCDNPXLJ-UHFFFAOYSA-N 2 1 284.447 3.454 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072159 819301080 /nfs/dbraw/zinc/30/10/80/819301080.db2.gz DXWDSNDAJOZIBY-GFOMBABLSA-N 2 1 293.499 3.010 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460804978 937546203 /nfs/dbraw/zinc/54/62/03/937546203.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460804978 937546205 /nfs/dbraw/zinc/54/62/05/937546205.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460804978 937546207 /nfs/dbraw/zinc/54/62/07/937546207.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C1 ZINC000651720395 398275452 /nfs/dbraw/zinc/27/54/52/398275452.db2.gz YFQBMSXVTSPPIP-JKSUJKDBSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000651828223 398294847 /nfs/dbraw/zinc/29/48/47/398294847.db2.gz ZGLOUGZQIBHSFJ-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[N@@H+](CCC[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661274 347101747 /nfs/dbraw/zinc/10/17/47/347101747.db2.gz VXLZHNGMSLSZNJ-HOTGVXAUSA-N 2 1 277.456 3.313 20 30 CGEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496113 347178522 /nfs/dbraw/zinc/17/85/22/347178522.db2.gz HHAVRRYBTHIZTD-QGZVFWFLSA-N 2 1 299.462 3.308 20 30 CGEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594506843 347181676 /nfs/dbraw/zinc/18/16/76/347181676.db2.gz FKRWDWXAJXWZOG-KRWDZBQOSA-N 2 1 299.462 3.309 20 30 CGEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC(C)(C)C#N)C2 ZINC000595503988 347312878 /nfs/dbraw/zinc/31/28/78/347312878.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000595503988 347312880 /nfs/dbraw/zinc/31/28/80/347312880.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000595503988 347312881 /nfs/dbraw/zinc/31/28/81/347312881.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735226 /nfs/dbraw/zinc/73/52/26/347735226.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735227 /nfs/dbraw/zinc/73/52/27/347735227.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735228 /nfs/dbraw/zinc/73/52/28/347735228.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735229 /nfs/dbraw/zinc/73/52/29/347735229.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP N#CC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000602510471 347973097 /nfs/dbraw/zinc/97/30/97/347973097.db2.gz JLPLWYQZEVXMIS-UHFFFAOYSA-N 2 1 297.446 3.107 20 30 CGEDMP N#CC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000602510471 347973099 /nfs/dbraw/zinc/97/30/99/347973099.db2.gz JLPLWYQZEVXMIS-UHFFFAOYSA-N 2 1 297.446 3.107 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590225 347990405 /nfs/dbraw/zinc/99/04/05/347990405.db2.gz YDLXLBIUVYYMNJ-AOIWGVFYSA-N 2 1 299.462 3.426 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](C)CCC#N ZINC000602672676 348006064 /nfs/dbraw/zinc/00/60/64/348006064.db2.gz DVPRIIAQOSUGAS-CVEARBPZSA-N 2 1 265.445 3.026 20 30 CGEDMP CC1([NH+]2CCCC2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000602957148 348047083 /nfs/dbraw/zinc/04/70/83/348047083.db2.gz RQZIQMSYOVBWGR-UHFFFAOYSA-N 2 1 297.446 3.051 20 30 CGEDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388196 348443346 /nfs/dbraw/zinc/44/33/46/348443346.db2.gz YKXFZASKKTVSAS-RHSMWYFYSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294299 /nfs/dbraw/zinc/29/42/99/188294299.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294301 /nfs/dbraw/zinc/29/43/01/188294301.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294303 /nfs/dbraw/zinc/29/43/03/188294303.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294304 /nfs/dbraw/zinc/29/43/04/188294304.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 2 1 258.409 3.157 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000178175984 189095308 /nfs/dbraw/zinc/09/53/08/189095308.db2.gz FQBFOWCGJNCJST-OAHLLOKOSA-N 2 1 285.435 3.329 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000131195380 371089163 /nfs/dbraw/zinc/08/91/63/371089163.db2.gz MFBCCMKCGUQHHK-UHFFFAOYSA-N 2 1 279.472 3.370 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000153014356 371743960 /nfs/dbraw/zinc/74/39/60/371743960.db2.gz XOHMHOQBXWUPDV-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004560 /nfs/dbraw/zinc/00/45/60/372004560.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004568 /nfs/dbraw/zinc/00/45/68/372004568.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004573 /nfs/dbraw/zinc/00/45/73/372004573.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 2 1 258.409 3.157 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442722664 373070608 /nfs/dbraw/zinc/07/06/08/373070608.db2.gz XXYBOFCHALXAKO-QXSJWSMHSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449258971 373675032 /nfs/dbraw/zinc/67/50/32/373675032.db2.gz RRWSFEDVOHHXOI-GTPINHCMSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000449604037 373833589 /nfs/dbraw/zinc/83/35/89/373833589.db2.gz IVRFDSQPJUMRLJ-HOTGVXAUSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182059300 374211553 /nfs/dbraw/zinc/21/15/53/374211553.db2.gz QEQKEGRJGONKBV-MRXNPFEDSA-N 2 1 272.436 3.105 20 30 CGEDMP C=C(C)C[NH+]1CCCC2(CCC[N@H+](CC(=C)C)C2)C1 ZINC000554946807 376853345 /nfs/dbraw/zinc/85/33/45/376853345.db2.gz MZPLGCPILYLQEB-UHFFFAOYSA-N 2 1 262.441 3.317 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247005648 377136070 /nfs/dbraw/zinc/13/60/70/377136070.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247005648 377136078 /nfs/dbraw/zinc/13/60/78/377136078.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247005648 377136086 /nfs/dbraw/zinc/13/60/86/377136086.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP N#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959247 377481051 /nfs/dbraw/zinc/48/10/51/377481051.db2.gz QNPVLBUYKNJWMO-SFHVURJKSA-N 2 1 297.446 3.467 20 30 CGEDMP N#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959247 377481061 /nfs/dbraw/zinc/48/10/61/377481061.db2.gz QNPVLBUYKNJWMO-SFHVURJKSA-N 2 1 297.446 3.467 20 30 CGEDMP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1C#N ZINC000443983421 249137581 /nfs/dbraw/zinc/13/75/81/249137581.db2.gz HOPPPPBQKXRWRI-UHFFFAOYSA-N 2 1 285.435 3.078 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507115 378402419 /nfs/dbraw/zinc/40/24/19/378402419.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507115 378402422 /nfs/dbraw/zinc/40/24/22/378402422.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507115 378402427 /nfs/dbraw/zinc/40/24/27/378402427.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507115 378402433 /nfs/dbraw/zinc/40/24/33/378402433.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504619 378402618 /nfs/dbraw/zinc/40/26/18/378402618.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504619 378402623 /nfs/dbraw/zinc/40/26/23/378402623.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504619 378402625 /nfs/dbraw/zinc/40/26/25/378402625.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504619 378402629 /nfs/dbraw/zinc/40/26/29/378402629.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812573 378708477 /nfs/dbraw/zinc/70/84/77/378708477.db2.gz NQZLRKLRJFPVOP-HOCLYGCPSA-N 2 1 278.827 3.239 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812573 378708481 /nfs/dbraw/zinc/70/84/81/378708481.db2.gz NQZLRKLRJFPVOP-HOCLYGCPSA-N 2 1 278.827 3.239 20 30 CGEDMP CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315023 379342911 /nfs/dbraw/zinc/34/29/11/379342911.db2.gz UIWAOHNOEBDYIK-OKZBNKHCSA-N 2 1 283.419 3.226 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315023 379342920 /nfs/dbraw/zinc/34/29/20/379342920.db2.gz UIWAOHNOEBDYIK-OKZBNKHCSA-N 2 1 283.419 3.226 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000360969344 381635889 /nfs/dbraw/zinc/63/58/89/381635889.db2.gz RHRVRGGKCVKQLM-SJLPKXTDSA-N 2 1 270.420 3.043 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000360969344 381635896 /nfs/dbraw/zinc/63/58/96/381635896.db2.gz RHRVRGGKCVKQLM-SJLPKXTDSA-N 2 1 270.420 3.043 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455749 381752803 /nfs/dbraw/zinc/75/28/03/381752803.db2.gz FNLADNZTVXTSAH-NXWXRZEISA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000361455749 381752809 /nfs/dbraw/zinc/75/28/09/381752809.db2.gz FNLADNZTVXTSAH-NXWXRZEISA-N 2 1 297.446 3.321 20 30 CGEDMP CCCCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364248953 382267985 /nfs/dbraw/zinc/26/79/85/382267985.db2.gz BAUOZVNRHBOAKJ-SFHVURJKSA-N 2 1 295.515 3.059 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633806 392984006 /nfs/dbraw/zinc/98/40/06/392984006.db2.gz KDTRKHQVJFSGGD-INIZCTEOSA-N 2 1 277.456 3.267 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438452 393513057 /nfs/dbraw/zinc/51/30/57/393513057.db2.gz GHNIOYIJIDJOMD-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438452 393513064 /nfs/dbraw/zinc/51/30/64/393513064.db2.gz GHNIOYIJIDJOMD-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438452 393513069 /nfs/dbraw/zinc/51/30/69/393513069.db2.gz GHNIOYIJIDJOMD-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438452 393513073 /nfs/dbraw/zinc/51/30/73/393513073.db2.gz GHNIOYIJIDJOMD-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443970219 393779238 /nfs/dbraw/zinc/77/92/38/393779238.db2.gz QTVNBGUZNCRIOZ-UHFFFAOYSA-N 2 1 287.451 3.468 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668493537 543020799 /nfs/dbraw/zinc/02/07/99/543020799.db2.gz OTRZPIVODLXCRC-HNNXBMFYSA-N 2 1 282.391 3.055 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668493537 543020803 /nfs/dbraw/zinc/02/08/03/543020803.db2.gz OTRZPIVODLXCRC-HNNXBMFYSA-N 2 1 282.391 3.055 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678698231 543550062 /nfs/dbraw/zinc/55/00/62/543550062.db2.gz NJUFRHCJAXQUPZ-XHSDSOJGSA-N 2 1 250.430 3.338 20 30 CGEDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260948 287064413 /nfs/dbraw/zinc/06/44/13/287064413.db2.gz IWIWQDNDOJQSFU-CXAGYDPISA-N 2 1 271.408 3.116 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657835869 419378725 /nfs/dbraw/zinc/37/87/25/419378725.db2.gz RNEYCSXAYSTWSD-INMHGKMJSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297809231 260135583 /nfs/dbraw/zinc/13/55/83/260135583.db2.gz QTJIVNBTKNDPAW-MRXNPFEDSA-N 2 1 286.419 3.010 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088924 262269127 /nfs/dbraw/zinc/26/91/27/262269127.db2.gz DVBORSGEXKXQMJ-ZSYWTGECSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088924 262269128 /nfs/dbraw/zinc/26/91/28/262269128.db2.gz DVBORSGEXKXQMJ-ZSYWTGECSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317150 263110335 /nfs/dbraw/zinc/11/03/35/263110335.db2.gz UEXGSNVYWKHDNE-MSOLQXFVSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317150 263110336 /nfs/dbraw/zinc/11/03/36/263110336.db2.gz UEXGSNVYWKHDNE-MSOLQXFVSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000341888743 263363935 /nfs/dbraw/zinc/36/39/35/263363935.db2.gz QLUYGEIBSAJTKA-GOEBONIOSA-N 2 1 299.418 3.016 20 30 CGEDMP C#CCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000368496097 267177433 /nfs/dbraw/zinc/17/74/33/267177433.db2.gz MOQKKNIHPSNGEP-UHFFFAOYSA-N 2 1 284.447 3.433 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694441 328214474 /nfs/dbraw/zinc/21/44/74/328214474.db2.gz SVQXVDIOBZNIEI-NVXWUHKLSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685357 329249535 /nfs/dbraw/zinc/24/95/35/329249535.db2.gz BJSRBECQEHZRKY-KBXCAEBGSA-N 2 1 299.418 3.158 20 30 CGEDMP C=CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990903 330163026 /nfs/dbraw/zinc/16/30/26/330163026.db2.gz AIZIYRLHRNHNIL-HYVNUMGLSA-N 2 1 258.409 3.424 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423100134 330170284 /nfs/dbraw/zinc/17/02/84/330170284.db2.gz GHOOWOLAHGBJGE-MOPGFXCFSA-N 2 1 294.398 3.486 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423317837 330190008 /nfs/dbraw/zinc/19/00/08/330190008.db2.gz BBMVXPIIYQYTIO-JCGIZDLHSA-N 2 1 288.435 3.085 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000527927978 330296863 /nfs/dbraw/zinc/29/68/63/330296863.db2.gz SNIDGVICGIKLIC-RRFJBIMHSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC000424386004 330349475 /nfs/dbraw/zinc/34/94/75/330349475.db2.gz WRAGMDAKWINJAT-HUUCEWRRSA-N 2 1 294.826 3.264 20 30 CGEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595052 330386563 /nfs/dbraw/zinc/38/65/63/330386563.db2.gz BVSVUJLSOLOAOD-IAGOWNOFSA-N 2 1 294.483 3.212 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453105956 331089690 /nfs/dbraw/zinc/08/96/90/331089690.db2.gz XSAMILONYCUOPD-KRWDZBQOSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C(C)C)CC1 ZINC000468367916 331432934 /nfs/dbraw/zinc/43/29/34/331432934.db2.gz PZVVFARZUUQAKA-SJORKVTESA-N 2 1 264.457 3.441 20 30 CGEDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174278754 335151887 /nfs/dbraw/zinc/15/18/87/335151887.db2.gz YOQHTQVUZPZZBX-UHFFFAOYSA-N 2 1 297.402 3.283 20 30 CGEDMP C=CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000249279078 334331176 /nfs/dbraw/zinc/33/11/76/334331176.db2.gz MVOXXNAXLVFEKQ-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000249279078 334331178 /nfs/dbraw/zinc/33/11/78/334331178.db2.gz MVOXXNAXLVFEKQ-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000249279078 334331179 /nfs/dbraw/zinc/33/11/79/334331179.db2.gz MVOXXNAXLVFEKQ-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925588238 619075662 /nfs/dbraw/zinc/07/56/62/619075662.db2.gz PAOJYZFQATVYAL-CVEARBPZSA-N 2 1 279.472 3.272 20 30 CGEDMP C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132426 621591873 /nfs/dbraw/zinc/59/18/73/621591873.db2.gz QMABEGUIDCXLCN-ZBSSRIJBSA-N 2 1 262.441 3.479 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1CCC[NH3+] ZINC000903463462 621753460 /nfs/dbraw/zinc/75/34/60/621753460.db2.gz BTDYEZUGDHYNFM-RDHHWEPZSA-N 2 1 277.456 3.156 20 30 CGEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848775 623860090 /nfs/dbraw/zinc/86/00/90/623860090.db2.gz UFPZIPWQNPLVNF-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848775 623860093 /nfs/dbraw/zinc/86/00/93/623860093.db2.gz UFPZIPWQNPLVNF-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799724540 630225685 /nfs/dbraw/zinc/22/56/85/630225685.db2.gz FAGDRNRNKGMAEV-GUDVDZBRSA-N 2 1 297.446 3.180 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000815652141 631814235 /nfs/dbraw/zinc/81/42/35/631814235.db2.gz QPWWTYPYBRJOMI-RTBURBONSA-N 2 1 284.447 3.042 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000815652141 631814237 /nfs/dbraw/zinc/81/42/37/631814237.db2.gz QPWWTYPYBRJOMI-RTBURBONSA-N 2 1 284.447 3.042 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000817979720 632270126 /nfs/dbraw/zinc/27/01/26/632270126.db2.gz NSLYYNVLSHSYFR-GXTWGEPZSA-N 2 1 282.815 3.206 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834607562 634197057 /nfs/dbraw/zinc/19/70/57/634197057.db2.gz ZBWXMRDGOXOVOZ-ZCNNSNEGSA-N 2 1 296.458 3.433 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000834815867 634247171 /nfs/dbraw/zinc/24/71/71/634247171.db2.gz YVLYUJXONKOAIV-HIFRSBDPSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000834815867 634247176 /nfs/dbraw/zinc/24/71/76/634247176.db2.gz YVLYUJXONKOAIV-HIFRSBDPSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000876763562 634895759 /nfs/dbraw/zinc/89/57/59/634895759.db2.gz KLVCAKFNBXFAOD-IRXDYDNUSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000876763562 634895760 /nfs/dbraw/zinc/89/57/60/634895760.db2.gz KLVCAKFNBXFAOD-IRXDYDNUSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000876763562 634895763 /nfs/dbraw/zinc/89/57/63/634895763.db2.gz KLVCAKFNBXFAOD-IRXDYDNUSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951072 634935092 /nfs/dbraw/zinc/93/50/92/634935092.db2.gz CREVLGBQPXBXLR-UHFFFAOYSA-N 2 1 296.418 3.249 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877070844 634971959 /nfs/dbraw/zinc/97/19/59/634971959.db2.gz XDXZKTKFOYKSPZ-IEBWSBKVSA-N 2 1 282.431 3.358 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877070844 634971962 /nfs/dbraw/zinc/97/19/62/634971962.db2.gz XDXZKTKFOYKSPZ-IEBWSBKVSA-N 2 1 282.431 3.358 20 30 CGEDMP CC(C)C[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000877767359 635193419 /nfs/dbraw/zinc/19/34/19/635193419.db2.gz GBAJMWSSAKEFTN-UHFFFAOYSA-N 2 1 299.462 3.358 20 30 CGEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000883167509 636563203 /nfs/dbraw/zinc/56/32/03/636563203.db2.gz ZQYGWCNOPMZVKP-SFHVURJKSA-N 2 1 272.436 3.248 20 30 CGEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000883182465 636570065 /nfs/dbraw/zinc/57/00/65/636570065.db2.gz CQURDHZAXUNTEQ-KRWDZBQOSA-N 2 1 299.418 3.195 20 30 CGEDMP C=CCCCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848550542 636602231 /nfs/dbraw/zinc/60/22/31/636602231.db2.gz PZVGULKGMGOKHE-SFHVURJKSA-N 2 1 294.483 3.356 20 30 CGEDMP N#CC1(CCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000929696986 638942379 /nfs/dbraw/zinc/94/23/79/638942379.db2.gz PPKBXXHQGCPXQS-KRWDZBQOSA-N 2 1 289.467 3.268 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460470 639003640 /nfs/dbraw/zinc/00/36/40/639003640.db2.gz OPFKOKNHQXYPIT-SJPCQFCGSA-N 2 1 289.467 3.408 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460470 639003641 /nfs/dbraw/zinc/00/36/41/639003641.db2.gz OPFKOKNHQXYPIT-SJPCQFCGSA-N 2 1 289.467 3.408 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460470 639003644 /nfs/dbraw/zinc/00/36/44/639003644.db2.gz OPFKOKNHQXYPIT-SJPCQFCGSA-N 2 1 289.467 3.408 20 30 CGEDMP CCc1ccc(C)[nH+]c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159107220 806042388 /nfs/dbraw/zinc/04/23/88/806042388.db2.gz LJYPBKOMBIACQC-UHFFFAOYSA-N 2 1 292.386 3.255 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000328210323 799249753 /nfs/dbraw/zinc/24/97/53/799249753.db2.gz WFPCVYUAIBBREC-MRXNPFEDSA-N 2 1 278.827 3.336 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000328210323 799249756 /nfs/dbraw/zinc/24/97/56/799249756.db2.gz WFPCVYUAIBBREC-MRXNPFEDSA-N 2 1 278.827 3.336 20 30 CGEDMP CCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403311827 799565389 /nfs/dbraw/zinc/56/53/89/799565389.db2.gz XYAIDLCQUNLUHM-ZDUSSCGKSA-N 2 1 262.388 3.263 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246051064 804104035 /nfs/dbraw/zinc/10/40/35/804104035.db2.gz FAGNLKBDVMGBFM-SFHVURJKSA-N 2 1 296.499 3.195 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246046108 804104354 /nfs/dbraw/zinc/10/43/54/804104354.db2.gz QAESFSQEBPPHTK-SJORKVTESA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246048337 804104424 /nfs/dbraw/zinc/10/44/24/804104424.db2.gz BGAJGOIRXYNKQP-GOSISDBHSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC([NH2+]CC)CC1 ZINC001246055700 804104778 /nfs/dbraw/zinc/10/47/78/804104778.db2.gz NJTXJVODPKPZGX-QGZVFWFLSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001246069465 804108979 /nfs/dbraw/zinc/10/89/79/804108979.db2.gz XYACMDNMUWPPIY-MSOLQXFVSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133939 804159539 /nfs/dbraw/zinc/15/95/39/804159539.db2.gz KUDREMPUWZLDFW-PMPSAXMXSA-N 2 1 252.446 3.467 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246174349 804189773 /nfs/dbraw/zinc/18/97/73/804189773.db2.gz KAVRUHMQYKSFIW-LSDHHAIUSA-N 2 1 258.425 3.417 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246297947 804263988 /nfs/dbraw/zinc/26/39/88/804263988.db2.gz YHZXTPNIANAFQI-IAGOWNOFSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246295901 804264865 /nfs/dbraw/zinc/26/48/65/804264865.db2.gz QEMFEGSNNCBGBM-IAGOWNOFSA-N 2 1 284.488 3.220 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246326292 804282042 /nfs/dbraw/zinc/28/20/42/804282042.db2.gz LNUCAXMTJQNHNW-HNNXBMFYSA-N 2 1 262.441 3.080 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246326293 804283031 /nfs/dbraw/zinc/28/30/31/804283031.db2.gz LNUCAXMTJQNHNW-OAHLLOKOSA-N 2 1 262.441 3.080 20 30 CGEDMP C#CC1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC001246461559 804341456 /nfs/dbraw/zinc/34/14/56/804341456.db2.gz DEMRDEVVLIOEHM-MSOLQXFVSA-N 2 1 282.431 3.405 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486841 804357251 /nfs/dbraw/zinc/35/72/51/804357251.db2.gz FYSOBGZQZDWSOF-IAGOWNOFSA-N 2 1 283.504 3.057 20 30 CGEDMP CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246495610 804361209 /nfs/dbraw/zinc/36/12/09/804361209.db2.gz KSBPZHXZLFQWDQ-ZWKOTPCHSA-N 2 1 297.531 3.447 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)C[C@H](C1)C2 ZINC001246563919 804413573 /nfs/dbraw/zinc/41/35/73/804413573.db2.gz DIVFPHJAGNASPP-KYLYMASSSA-N 2 1 276.468 3.428 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621860 804455141 /nfs/dbraw/zinc/45/51/41/804455141.db2.gz GLYCKJBETKZJRU-KZNAEPCWSA-N 2 1 296.499 3.436 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)CC3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246682170 804496321 /nfs/dbraw/zinc/49/63/21/804496321.db2.gz TXTKAMKBCAOVLZ-SJPCQFCGSA-N 2 1 262.441 3.053 20 30 CGEDMP N#CCC[N@H+]([C@@H]1CCC[NH2+]CC1)C1CCCCCCC1 ZINC001246771004 804503443 /nfs/dbraw/zinc/50/34/43/804503443.db2.gz UYSKSERAGQZLPW-QGZVFWFLSA-N 2 1 277.456 3.457 20 30 CGEDMP N#CCC[N@@H+]([C@@H]1CCC[NH2+]CC1)C1CCCCCCC1 ZINC001246771004 804503446 /nfs/dbraw/zinc/50/34/46/804503446.db2.gz UYSKSERAGQZLPW-QGZVFWFLSA-N 2 1 277.456 3.457 20 30 CGEDMP C=CC[NH+](CC=C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246815259 804531979 /nfs/dbraw/zinc/53/19/79/804531979.db2.gz WUDJTRLEYINFSX-MSOLQXFVSA-N 2 1 270.420 3.024 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246840820 804549939 /nfs/dbraw/zinc/54/99/39/804549939.db2.gz QQHWFIUAMGQMBA-UHFFFAOYSA-N 2 1 270.420 3.207 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927155 804604144 /nfs/dbraw/zinc/60/41/44/804604144.db2.gz GOHRUPIMLMREMP-IAGOWNOFSA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927155 804604146 /nfs/dbraw/zinc/60/41/46/804604146.db2.gz GOHRUPIMLMREMP-IAGOWNOFSA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947109 804614868 /nfs/dbraw/zinc/61/48/68/804614868.db2.gz VKNJLYLXKGUYFW-CABCVRRESA-N 2 1 258.425 3.498 20 30 CGEDMP N#CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996165 807293838 /nfs/dbraw/zinc/29/38/38/807293838.db2.gz YEJAIBQTMUWROM-JWTNVVGKSA-N 2 1 287.451 3.017 20 30 CGEDMP CCCCCCCCN(CC[NH3+])[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107628 807578914 /nfs/dbraw/zinc/57/89/14/807578914.db2.gz IMHCITXUQTXKMT-BCDXTJNWSA-N 2 1 295.515 3.233 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172296922 808218864 /nfs/dbraw/zinc/21/88/64/808218864.db2.gz KPDBHUPEYSENBB-UDTPNQRGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172296922 808218868 /nfs/dbraw/zinc/21/88/68/808218868.db2.gz KPDBHUPEYSENBB-UDTPNQRGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172296921 808218916 /nfs/dbraw/zinc/21/89/16/808218916.db2.gz KPDBHUPEYSENBB-AXUOBQJMSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172296921 808218921 /nfs/dbraw/zinc/21/89/21/808218921.db2.gz KPDBHUPEYSENBB-AXUOBQJMSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172487155 808347531 /nfs/dbraw/zinc/34/75/31/808347531.db2.gz FEYBKCLOXWVIDQ-WBVHZDCISA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172487155 808347540 /nfs/dbraw/zinc/34/75/40/808347540.db2.gz FEYBKCLOXWVIDQ-WBVHZDCISA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172503328 808359531 /nfs/dbraw/zinc/35/95/31/808359531.db2.gz ADGFXEQADMWAPD-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172503328 808359539 /nfs/dbraw/zinc/35/95/39/808359539.db2.gz ADGFXEQADMWAPD-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172503328 808359553 /nfs/dbraw/zinc/35/95/53/808359553.db2.gz ADGFXEQADMWAPD-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337082 808618913 /nfs/dbraw/zinc/61/89/13/808618913.db2.gz YRWQQNKSFUNGQO-UHFFFAOYSA-N 2 1 275.440 3.017 20 30 CGEDMP C=CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274962742 808895319 /nfs/dbraw/zinc/89/53/19/808895319.db2.gz UMSZYVKCELIPJJ-CALCHBBNSA-N 2 1 287.451 3.125 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274962742 808895325 /nfs/dbraw/zinc/89/53/25/808895325.db2.gz UMSZYVKCELIPJJ-CALCHBBNSA-N 2 1 287.451 3.125 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001274962742 808895333 /nfs/dbraw/zinc/89/53/33/808895333.db2.gz UMSZYVKCELIPJJ-CALCHBBNSA-N 2 1 287.451 3.125 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC001205001404 812819836 /nfs/dbraw/zinc/81/98/36/812819836.db2.gz RMGAVGLXECZRIH-DLBZAZTESA-N 2 1 262.441 3.220 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995758 813156333 /nfs/dbraw/zinc/15/63/33/813156333.db2.gz PXPVFPMMWLMDAZ-NVXWUHKLSA-N 2 1 288.435 3.058 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206336292 813293950 /nfs/dbraw/zinc/29/39/50/813293950.db2.gz LBUTUEGABDCTKW-GOSISDBHSA-N 2 1 285.435 3.072 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206550269 813348619 /nfs/dbraw/zinc/34/86/19/813348619.db2.gz YXZHQIFGZOVMJS-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP CC(C)C[N@@H+](CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207252250 813521529 /nfs/dbraw/zinc/52/15/29/813521529.db2.gz CLARTYYPVOBOOG-UHFFFAOYSA-N 2 1 298.474 3.338 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001207398521 813556862 /nfs/dbraw/zinc/55/68/62/813556862.db2.gz WZOLLHAJBCUBNI-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001208179147 813730796 /nfs/dbraw/zinc/73/07/96/813730796.db2.gz NOYMXEQEYCRCJF-QGZVFWFLSA-N 2 1 274.452 3.459 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208618073 813777232 /nfs/dbraw/zinc/77/72/32/813777232.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208618073 813777240 /nfs/dbraw/zinc/77/72/40/813777240.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208618073 813777245 /nfs/dbraw/zinc/77/72/45/813777245.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208618073 813777252 /nfs/dbraw/zinc/77/72/52/813777252.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001209160791 813952007 /nfs/dbraw/zinc/95/20/07/813952007.db2.gz CCUUNVHCGNMYRG-LSDHHAIUSA-N 2 1 291.464 3.006 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC001222623481 816480703 /nfs/dbraw/zinc/48/07/03/816480703.db2.gz LEHGKISGGQFIHZ-KURKYZTESA-N 2 1 274.452 3.220 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977887 818968796 /nfs/dbraw/zinc/96/87/96/818968796.db2.gz CSWZUPFMGWTLBH-CALCHBBNSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235257229 819053450 /nfs/dbraw/zinc/05/34/50/819053450.db2.gz XILHTKWZVYOQEM-JYJNAYRXSA-N 2 1 250.430 3.325 20 30 CGEDMP N#CCC[N@H+](CCCC[NH3+])C1CCCCCCC1 ZINC001235662866 819131473 /nfs/dbraw/zinc/13/14/73/819131473.db2.gz BLXHRHRSOLQSAI-UHFFFAOYSA-N 2 1 251.418 3.054 20 30 CGEDMP CCCCCCCC[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235662879 819132607 /nfs/dbraw/zinc/13/26/07/819132607.db2.gz COWUNNVZDDOCOG-HNNXBMFYSA-N 2 1 270.461 3.393 20 30 CGEDMP CCCCCCCC[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235662879 819132610 /nfs/dbraw/zinc/13/26/10/819132610.db2.gz COWUNNVZDDOCOG-HNNXBMFYSA-N 2 1 270.461 3.393 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235930255 819228044 /nfs/dbraw/zinc/22/80/44/819228044.db2.gz VKJMXBYGWZOURX-HOTGVXAUSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313984 819420603 /nfs/dbraw/zinc/42/06/03/819420603.db2.gz DCMQQGQTJMURPW-CALCHBBNSA-N 2 1 264.457 3.444 20 30 CGEDMP C#CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453030 819484852 /nfs/dbraw/zinc/48/48/52/819484852.db2.gz NIKKQVHZNQLEEQ-UHFFFAOYSA-N 2 1 290.838 3.307 20 30 CGEDMP CCc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1C#N ZINC001238778948 820116803 /nfs/dbraw/zinc/11/68/03/820116803.db2.gz QUVHUKPYFQBCDC-UHFFFAOYSA-N 2 1 285.435 3.037 20 30 CGEDMP CCc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1C#N ZINC001238778948 820116806 /nfs/dbraw/zinc/11/68/06/820116806.db2.gz QUVHUKPYFQBCDC-UHFFFAOYSA-N 2 1 285.435 3.037 20 30 CGEDMP CCc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC001238778570 820116851 /nfs/dbraw/zinc/11/68/51/820116851.db2.gz OQWSXHUGWCZVBU-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000381416445 928739041 /nfs/dbraw/zinc/73/90/41/928739041.db2.gz RIBDJWMANGMLPK-AWEZNQCLSA-N 2 1 290.476 3.233 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000381416445 928739049 /nfs/dbraw/zinc/73/90/49/928739049.db2.gz RIBDJWMANGMLPK-AWEZNQCLSA-N 2 1 290.476 3.233 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1SC ZINC001324519950 934518584 /nfs/dbraw/zinc/51/85/84/934518584.db2.gz GAFIQHFGTAWBAZ-CQSZACIVSA-N 2 1 276.449 3.014 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1SC ZINC001324519950 934518586 /nfs/dbraw/zinc/51/85/86/934518586.db2.gz GAFIQHFGTAWBAZ-CQSZACIVSA-N 2 1 276.449 3.014 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC001560245878 938249092 /nfs/dbraw/zinc/24/90/92/938249092.db2.gz VZYNQCIDJMSIBE-HOTGVXAUSA-N 2 1 252.446 3.440 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001579554076 962635931 /nfs/dbraw/zinc/63/59/31/962635931.db2.gz MPJODGHQLJJKOF-IEBWSBKVSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655544 349856445 /nfs/dbraw/zinc/85/64/45/349856445.db2.gz ZECXCEPSDYOSFQ-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655544 349856451 /nfs/dbraw/zinc/85/64/51/349856451.db2.gz ZECXCEPSDYOSFQ-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593181891 347048903 /nfs/dbraw/zinc/04/89/03/347048903.db2.gz MSOGDFQTNMGLMN-HNNXBMFYSA-N 2 1 273.424 3.187 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593181891 347048905 /nfs/dbraw/zinc/04/89/05/347048905.db2.gz MSOGDFQTNMGLMN-HNNXBMFYSA-N 2 1 273.424 3.187 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000091512161 345818084 /nfs/dbraw/zinc/81/80/84/345818084.db2.gz FNZSNIVYFFZZJT-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001476 345986775 /nfs/dbraw/zinc/98/67/75/345986775.db2.gz DAWIAGVUVZQCDK-KRWDZBQOSA-N 2 1 264.457 3.397 20 30 CGEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365433298 346548454 /nfs/dbraw/zinc/54/84/54/346548454.db2.gz QPRIWWQHBDUYKN-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000594493804 347177800 /nfs/dbraw/zinc/17/78/00/347177800.db2.gz SGCKRDKPPAQOKV-UHFFFAOYSA-N 2 1 297.446 3.204 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081206 347279492 /nfs/dbraw/zinc/27/94/92/347279492.db2.gz QXKMJANEQILWQG-OWCLPIDISA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081206 347279494 /nfs/dbraw/zinc/27/94/94/347279494.db2.gz QXKMJANEQILWQG-OWCLPIDISA-N 2 1 275.440 3.065 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955155 347700826 /nfs/dbraw/zinc/70/08/26/347700826.db2.gz GVBIGBNWQCYOKU-BBRMVZONSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955155 347700827 /nfs/dbraw/zinc/70/08/27/347700827.db2.gz GVBIGBNWQCYOKU-BBRMVZONSA-N 2 1 271.408 3.082 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980838 347702940 /nfs/dbraw/zinc/70/29/40/347702940.db2.gz YPTXKADOMPTVHM-CQSZACIVSA-N 2 1 291.826 3.174 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980838 347702944 /nfs/dbraw/zinc/70/29/44/347702944.db2.gz YPTXKADOMPTVHM-CQSZACIVSA-N 2 1 291.826 3.174 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535150 347977225 /nfs/dbraw/zinc/97/72/25/347977225.db2.gz OAMRNIADLJVWLT-HKUYNNGSSA-N 2 1 299.462 3.080 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000602509116 347972881 /nfs/dbraw/zinc/97/28/81/347972881.db2.gz GNNOFOSWSAIXTJ-QGZVFWFLSA-N 2 1 299.462 3.223 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000602517687 347974513 /nfs/dbraw/zinc/97/45/13/347974513.db2.gz DLTQVFIFTIFLNA-ARFHVFGLSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602595898 347991287 /nfs/dbraw/zinc/99/12/87/347991287.db2.gz GDYZVLIBVJVPSC-KZYLPZIUSA-N 2 1 289.467 3.311 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602564644 347983321 /nfs/dbraw/zinc/98/33/21/347983321.db2.gz VJMJYYQYSJXWED-ZIFCJYIRSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602564644 347983324 /nfs/dbraw/zinc/98/33/24/347983324.db2.gz VJMJYYQYSJXWED-ZIFCJYIRSA-N 2 1 299.462 3.426 20 30 CGEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619622483 349263736 /nfs/dbraw/zinc/26/37/36/349263736.db2.gz KUILOTRRZHEBHQ-UHFFFAOYSA-N 2 1 299.462 3.405 20 30 CGEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619622483 349263742 /nfs/dbraw/zinc/26/37/42/349263742.db2.gz KUILOTRRZHEBHQ-UHFFFAOYSA-N 2 1 299.462 3.405 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000631683298 351118290 /nfs/dbraw/zinc/11/82/90/351118290.db2.gz KMJADZVJDJHGCK-UHFFFAOYSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000425530425 236257557 /nfs/dbraw/zinc/25/75/57/236257557.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000425530425 236257562 /nfs/dbraw/zinc/25/75/62/236257562.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000425530425 236257563 /nfs/dbraw/zinc/25/75/63/236257563.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574247971 335003761 /nfs/dbraw/zinc/00/37/61/335003761.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247971 335003762 /nfs/dbraw/zinc/00/37/62/335003762.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574247971 335003764 /nfs/dbraw/zinc/00/37/64/335003764.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 2 1 262.441 3.291 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000037786476 369113138 /nfs/dbraw/zinc/11/31/38/369113138.db2.gz KETVOAPCOJBQGS-CQSZACIVSA-N 2 1 285.435 3.472 20 30 CGEDMP N#CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664781 370063701 /nfs/dbraw/zinc/06/37/01/370063701.db2.gz YSKCGWHQUKCFGC-KSZLIROESA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664781 370063708 /nfs/dbraw/zinc/06/37/08/370063708.db2.gz YSKCGWHQUKCFGC-KSZLIROESA-N 2 1 283.419 3.248 20 30 CGEDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260949 296153239 /nfs/dbraw/zinc/15/32/39/296153239.db2.gz IWIWQDNDOJQSFU-DYVFJYSZSA-N 2 1 271.408 3.116 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000152935217 371735496 /nfs/dbraw/zinc/73/54/96/371735496.db2.gz ZDPZQDWPPDMPQK-SFHVURJKSA-N 2 1 288.410 3.443 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423523 372567946 /nfs/dbraw/zinc/56/79/46/372567946.db2.gz KBQLHAFWQPVOJV-DLBZAZTESA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423523 372567954 /nfs/dbraw/zinc/56/79/54/372567954.db2.gz KBQLHAFWQPVOJV-DLBZAZTESA-N 2 1 282.472 3.212 20 30 CGEDMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433297103 372585197 /nfs/dbraw/zinc/58/51/97/372585197.db2.gz VETGQSCXWDPCIZ-UHFFFAOYSA-N 2 1 282.391 3.162 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000442794823 373086818 /nfs/dbraw/zinc/08/68/18/373086818.db2.gz QKHKPGFQNUYSLN-DZGCQCFKSA-N 2 1 298.365 3.102 20 30 CGEDMP C[NH+](C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCCCC1 ZINC000449060819 373659236 /nfs/dbraw/zinc/65/92/36/373659236.db2.gz UKZRODJVHIGWBO-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000183738048 374448287 /nfs/dbraw/zinc/44/82/87/374448287.db2.gz MJRGELZIGUZLCV-JKSUJKDBSA-N 2 1 264.457 3.443 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868771 374756228 /nfs/dbraw/zinc/75/62/28/374756228.db2.gz WRHGDBDJPWCFNW-YESZJQIVSA-N 2 1 277.456 3.026 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336559761 375831960 /nfs/dbraw/zinc/83/19/60/375831960.db2.gz VXKOZPDSDLBMAV-GOSISDBHSA-N 2 1 297.446 3.398 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236690592 376683879 /nfs/dbraw/zinc/68/38/79/376683879.db2.gz AMSUCLNUZDEOJF-UHFFFAOYSA-N 2 1 283.419 3.298 20 30 CGEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271025388 378429994 /nfs/dbraw/zinc/42/99/94/378429994.db2.gz JWXSAMGPVIYNEF-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271025388 378430001 /nfs/dbraw/zinc/43/00/01/378430001.db2.gz JWXSAMGPVIYNEF-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000271025388 378430006 /nfs/dbraw/zinc/43/00/06/378430006.db2.gz JWXSAMGPVIYNEF-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000271025388 378430010 /nfs/dbraw/zinc/43/00/10/378430010.db2.gz JWXSAMGPVIYNEF-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346304288 378538277 /nfs/dbraw/zinc/53/82/77/378538277.db2.gz HICVFSAYBJPZFS-UHFFFAOYSA-N 2 1 296.418 3.221 20 30 CGEDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346304288 378538283 /nfs/dbraw/zinc/53/82/83/378538283.db2.gz HICVFSAYBJPZFS-UHFFFAOYSA-N 2 1 296.418 3.221 20 30 CGEDMP CCC[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000272290800 378605770 /nfs/dbraw/zinc/60/57/70/378605770.db2.gz PZOXEFLWXJZRNJ-UHFFFAOYSA-N 2 1 283.419 3.011 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1Cl ZINC000266155562 190235321 /nfs/dbraw/zinc/23/53/21/190235321.db2.gz YBQWBHZTTBJWIE-UHFFFAOYSA-N 2 1 294.826 3.089 20 30 CGEDMP N#CC1(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000411285098 380139470 /nfs/dbraw/zinc/13/94/70/380139470.db2.gz QNSYYFMZVMJUHQ-QGZVFWFLSA-N 2 1 289.467 3.268 20 30 CGEDMP C[C@@H]([N@@H+](C)CC#CC[NH+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190517 /nfs/dbraw/zinc/19/05/17/393190517.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 2 1 276.468 3.231 20 30 CGEDMP C[C@@H]([NH+](C)CC#CC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190523 /nfs/dbraw/zinc/19/05/23/393190523.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 2 1 276.468 3.231 20 30 CGEDMP C[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423374 393190530 /nfs/dbraw/zinc/19/05/30/393190530.db2.gz VNSSPCQIQPGSGQ-IYBDPMFKSA-N 2 1 276.468 3.231 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522270 /nfs/dbraw/zinc/52/22/70/393522270.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522276 /nfs/dbraw/zinc/52/22/76/393522276.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522279 /nfs/dbraw/zinc/52/22/79/393522279.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522284 /nfs/dbraw/zinc/52/22/84/393522284.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421320777 393603678 /nfs/dbraw/zinc/60/36/78/393603678.db2.gz CPWAHTPXJHMGGH-UHFFFAOYSA-N 2 1 289.398 3.051 20 30 CGEDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000453412557 394239549 /nfs/dbraw/zinc/23/95/49/394239549.db2.gz VZVNDBYDKQHOMO-CYBMUJFWSA-N 2 1 289.398 3.222 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723137 543180610 /nfs/dbraw/zinc/18/06/10/543180610.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723137 543180611 /nfs/dbraw/zinc/18/06/11/543180611.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723137 543180613 /nfs/dbraw/zinc/18/06/13/543180613.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723137 543180614 /nfs/dbraw/zinc/18/06/14/543180614.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189665 171055582 /nfs/dbraw/zinc/05/55/82/171055582.db2.gz VBUINIVXFQXRJR-AWEZNQCLSA-N 2 1 271.408 3.083 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412721 543787872 /nfs/dbraw/zinc/78/78/72/543787872.db2.gz RLDQYYYZDRRBHU-LNLFQRSKSA-N 2 1 284.447 3.289 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412721 543787875 /nfs/dbraw/zinc/78/78/75/543787875.db2.gz RLDQYYYZDRRBHU-LNLFQRSKSA-N 2 1 284.447 3.289 20 30 CGEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250174 419091879 /nfs/dbraw/zinc/09/18/79/419091879.db2.gz JHQAXRAAEOLGOO-CYGHRXIMSA-N 2 1 272.436 3.322 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467300 419619190 /nfs/dbraw/zinc/61/91/90/419619190.db2.gz DSRDWGZVIPRVKG-IAGOWNOFSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414846901 263062910 /nfs/dbraw/zinc/06/29/10/263062910.db2.gz TYECRHWTUJHCKQ-UHFFFAOYSA-N 2 1 274.408 3.003 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340298766 263106727 /nfs/dbraw/zinc/10/67/27/263106727.db2.gz OKWRTFGCTSKAAS-XIRDDKMYSA-N 2 1 258.409 3.376 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340298766 263106728 /nfs/dbraw/zinc/10/67/28/263106728.db2.gz OKWRTFGCTSKAAS-XIRDDKMYSA-N 2 1 258.409 3.376 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000415063619 263258764 /nfs/dbraw/zinc/25/87/64/263258764.db2.gz AQCTXWGBSFBVNF-UHFFFAOYSA-N 2 1 294.826 3.137 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794674 329332000 /nfs/dbraw/zinc/33/20/00/329332000.db2.gz DOQQYOFBNLFFLB-OWCLPIDISA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794674 329332002 /nfs/dbraw/zinc/33/20/02/329332002.db2.gz DOQQYOFBNLFFLB-OWCLPIDISA-N 2 1 277.456 3.169 20 30 CGEDMP CC[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000564098474 329672291 /nfs/dbraw/zinc/67/22/91/329672291.db2.gz PZAMTLKNPDJJIH-SFHVURJKSA-N 2 1 285.435 3.454 20 30 CGEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000572469998 330115045 /nfs/dbraw/zinc/11/50/45/330115045.db2.gz LBGHOBZPHBYHIX-MRXNPFEDSA-N 2 1 298.434 3.060 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000572469998 330115046 /nfs/dbraw/zinc/11/50/46/330115046.db2.gz LBGHOBZPHBYHIX-MRXNPFEDSA-N 2 1 298.434 3.060 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990906 330163008 /nfs/dbraw/zinc/16/30/08/330163008.db2.gz AIZIYRLHRNHNIL-UAGQMJEPSA-N 2 1 258.409 3.424 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)C1CC1 ZINC000121027234 330395185 /nfs/dbraw/zinc/39/51/85/330395185.db2.gz GIVQSYSUBXATSO-MRXNPFEDSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)C1CC1 ZINC000121027234 330395186 /nfs/dbraw/zinc/39/51/86/330395186.db2.gz GIVQSYSUBXATSO-MRXNPFEDSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185221771 333137082 /nfs/dbraw/zinc/13/70/82/333137082.db2.gz GKWKTBRYTJMXIV-DLBZAZTESA-N 2 1 294.483 3.209 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000174275188 335151881 /nfs/dbraw/zinc/15/18/81/335151881.db2.gz BOTVTGXMKRPJPD-MRXNPFEDSA-N 2 1 279.472 3.416 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000550857465 334230443 /nfs/dbraw/zinc/23/04/43/334230443.db2.gz TYPHFBORXQOQFP-RBSFLKMASA-N 2 1 250.430 3.051 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740878617 571890706 /nfs/dbraw/zinc/89/07/06/571890706.db2.gz PAZJNIWLVBWPDX-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@]1(C)CCCCO1 ZINC000902795681 621451255 /nfs/dbraw/zinc/45/12/55/621451255.db2.gz FONBANJQWHASIK-SQNIBIBYSA-N 2 1 294.483 3.212 20 30 CGEDMP N#CC1CCC(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC000903813044 621814905 /nfs/dbraw/zinc/81/49/05/621814905.db2.gz XZVJECJZQYCIPU-JCYILVPMSA-N 2 1 289.467 3.300 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000904406432 621918308 /nfs/dbraw/zinc/91/83/08/621918308.db2.gz STCODJBBEFNAEY-ZDUSSCGKSA-N 2 1 294.826 3.076 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317348 /nfs/dbraw/zinc/31/73/48/624317348.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 2 1 299.462 3.337 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317352 /nfs/dbraw/zinc/31/73/52/624317352.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 2 1 299.462 3.337 20 30 CGEDMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000788477423 629057651 /nfs/dbraw/zinc/05/76/51/629057651.db2.gz CDBMBRNRSCMYPG-OAHLLOKOSA-N 2 1 285.435 3.283 20 30 CGEDMP C=CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000817895438 632230194 /nfs/dbraw/zinc/23/01/94/632230194.db2.gz XZTPFSOLQTYUGC-BZSNNMDCSA-N 2 1 279.387 3.433 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000817957531 632252265 /nfs/dbraw/zinc/25/22/65/632252265.db2.gz CQGJNTNUVZWBNF-BBRMVZONSA-N 2 1 296.842 3.452 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850906 633158747 /nfs/dbraw/zinc/15/87/47/633158747.db2.gz GCLZBRJPDWRYCN-FUHWJXTLSA-N 2 1 294.483 3.354 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842685820 635441592 /nfs/dbraw/zinc/44/15/92/635441592.db2.gz IEZYXLPMCYSLOR-SFHVURJKSA-N 2 1 282.431 3.187 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842685820 635441597 /nfs/dbraw/zinc/44/15/97/635441597.db2.gz IEZYXLPMCYSLOR-SFHVURJKSA-N 2 1 282.431 3.187 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222621 636163299 /nfs/dbraw/zinc/16/32/99/636163299.db2.gz KYNQKRKHESKSIA-ULQDDVLXSA-N 2 1 282.472 3.175 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848343 638957088 /nfs/dbraw/zinc/95/70/88/638957088.db2.gz QYYFJZVXULXCBR-HKUYNNGSSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848343 638957090 /nfs/dbraw/zinc/95/70/90/638957090.db2.gz QYYFJZVXULXCBR-HKUYNNGSSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848343 638957091 /nfs/dbraw/zinc/95/70/91/638957091.db2.gz QYYFJZVXULXCBR-HKUYNNGSSA-N 2 1 297.446 3.091 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC000859212989 639110700 /nfs/dbraw/zinc/11/07/00/639110700.db2.gz PZJHBQDEQGDZSH-UHFFFAOYSA-N 2 1 292.426 3.232 20 30 CGEDMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621346 639180233 /nfs/dbraw/zinc/18/02/33/639180233.db2.gz KBFNGWPCUFMFKJ-CVEARBPZSA-N 2 1 275.440 3.019 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001252983334 806147243 /nfs/dbraw/zinc/14/72/43/806147243.db2.gz VEJXPIYZIRCYPN-ZWKOTPCHSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001253238834 806190501 /nfs/dbraw/zinc/19/05/01/806190501.db2.gz IFNFRZWDZBQUBM-GOSISDBHSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001253238834 806190506 /nfs/dbraw/zinc/19/05/06/806190506.db2.gz IFNFRZWDZBQUBM-GOSISDBHSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253250208 806196756 /nfs/dbraw/zinc/19/67/56/806196756.db2.gz VAYUPILJEGTNLA-MHORFTMASA-N 2 1 294.483 3.089 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481639 /nfs/dbraw/zinc/48/16/39/806481639.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481643 /nfs/dbraw/zinc/48/16/43/806481643.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254672053 806481648 /nfs/dbraw/zinc/48/16/48/806481648.db2.gz WWXJTBGBHSWAOV-LUKYLMHMSA-N 2 1 275.440 3.017 20 30 CGEDMP C#CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381520 806629900 /nfs/dbraw/zinc/62/99/00/806629900.db2.gz PBXBIMYBJGJNKW-SFHVURJKSA-N 2 1 270.420 3.044 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000695837321 799835864 /nfs/dbraw/zinc/83/58/64/799835864.db2.gz QPKWLIVVJGUAKM-LSDHHAIUSA-N 2 1 265.445 3.169 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501864 808356911 /nfs/dbraw/zinc/35/69/11/808356911.db2.gz LMLOLFSGYVURIR-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019294 804100295 /nfs/dbraw/zinc/10/02/95/804100295.db2.gz IKOAAVLQURXVOC-KURKYZTESA-N 2 1 298.515 3.405 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246025373 804100410 /nfs/dbraw/zinc/10/04/10/804100410.db2.gz XOOGAMDAXYWTEW-ROUUACIJSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246024386 804100887 /nfs/dbraw/zinc/10/08/87/804100887.db2.gz FNRDVQZGDSXAOI-ZWKOTPCHSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246056756 804105365 /nfs/dbraw/zinc/10/53/65/804105365.db2.gz QAESFSQEBPPHTK-DLBZAZTESA-N 2 1 284.488 3.159 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246067556 804107956 /nfs/dbraw/zinc/10/79/56/804107956.db2.gz UELZQQGZIHXEGL-ABHNRTSZSA-N 2 1 296.499 3.336 20 30 CGEDMP CCCCCCC[C@H](CCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300150 804266330 /nfs/dbraw/zinc/26/63/30/804266330.db2.gz LVPCQUQMORYFDJ-GJZGRUSLSA-N 3 1 257.466 3.129 20 30 CGEDMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1C#N ZINC001139723913 804267698 /nfs/dbraw/zinc/26/76/98/804267698.db2.gz JGCIOLZHDYJBAU-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](C[NH3+])[C@H]3C)C[C@H](C1)C2 ZINC001246568147 804415416 /nfs/dbraw/zinc/41/54/16/804415416.db2.gz ZQZPKOCSVQNEPI-ILUDGRTOSA-N 2 1 262.441 3.181 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592780 804435665 /nfs/dbraw/zinc/43/56/65/804435665.db2.gz QREVKCVDTTVVFJ-HCMIALLCSA-N 2 1 262.441 3.181 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246617298 804452204 /nfs/dbraw/zinc/45/22/04/804452204.db2.gz IQMMLIASLUAXHD-DLBZAZTESA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246617298 804452208 /nfs/dbraw/zinc/45/22/08/804452208.db2.gz IQMMLIASLUAXHD-DLBZAZTESA-N 2 1 282.472 3.190 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246852293 804561600 /nfs/dbraw/zinc/56/16/00/804561600.db2.gz OPNASYBRJDXQTD-MSOLQXFVSA-N 2 1 272.436 3.248 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246855239 804563032 /nfs/dbraw/zinc/56/30/32/804563032.db2.gz XCKXELBQPKAHFX-HNNXBMFYSA-N 2 1 250.430 3.339 20 30 CGEDMP C=C(C)C[N@@H+](CC)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246856087 804563913 /nfs/dbraw/zinc/56/39/13/804563913.db2.gz YWRPJYCYPCFYMI-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246856087 804563916 /nfs/dbraw/zinc/56/39/16/804563916.db2.gz YWRPJYCYPCFYMI-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CCC(C#N)CC1 ZINC001256970723 807020987 /nfs/dbraw/zinc/02/09/87/807020987.db2.gz BZUGVCLJTPFLFB-UHFFFAOYSA-N 2 1 298.434 3.031 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246868989 804571372 /nfs/dbraw/zinc/57/13/72/804571372.db2.gz DTAJGOOVDOFADI-OAHLLOKOSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCC[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908771 804593590 /nfs/dbraw/zinc/59/35/90/804593590.db2.gz MNEMSEIOTBMEFR-ZWKOTPCHSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908771 804593596 /nfs/dbraw/zinc/59/35/96/804593596.db2.gz MNEMSEIOTBMEFR-ZWKOTPCHSA-N 2 1 285.435 3.301 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006049 804637712 /nfs/dbraw/zinc/63/77/12/804637712.db2.gz RZNQSRLKRPNDKE-MRXNPFEDSA-N 2 1 284.447 3.478 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001257213416 807063162 /nfs/dbraw/zinc/06/31/62/807063162.db2.gz NDWRHDANFQDKSM-UHFFFAOYSA-N 2 1 291.826 3.174 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CCCS)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168028190 807299784 /nfs/dbraw/zinc/29/97/84/807299784.db2.gz ONBMQHTVRAYFFT-SCAQPMJSSA-N 2 1 292.492 3.338 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(CC)C[NH2+]C2)cc1 ZINC001168586119 807452189 /nfs/dbraw/zinc/45/21/89/807452189.db2.gz FTMKFXSMSGDCLP-QGZVFWFLSA-N 2 1 285.435 3.173 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258717476 807567629 /nfs/dbraw/zinc/56/76/29/807567629.db2.gz OQAXSTCPLJJNND-OWCLPIDISA-N 2 1 252.446 3.299 20 30 CGEDMP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169107091 807579055 /nfs/dbraw/zinc/57/90/55/807579055.db2.gz CHBAGTGHBLDYBX-AKHDSKFASA-N 2 1 297.446 3.470 20 30 CGEDMP CCCCCCCCN(CC[NH3+])[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107629 807579595 /nfs/dbraw/zinc/57/95/95/807579595.db2.gz IMHCITXUQTXKMT-PIIMJCKOSA-N 2 1 295.515 3.233 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001169233552 807610827 /nfs/dbraw/zinc/61/08/27/807610827.db2.gz TURXNYMOQHIDHC-HNNXBMFYSA-N 2 1 288.435 3.386 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171180474 808001879 /nfs/dbraw/zinc/00/18/79/808001879.db2.gz ALLUZJFJRBTHTN-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961539 808160269 /nfs/dbraw/zinc/16/02/69/808160269.db2.gz ADDUQYULAPYKLG-SFHVURJKSA-N 2 1 284.447 3.433 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172304151 808222184 /nfs/dbraw/zinc/22/21/84/808222184.db2.gz ICESSZIXNMFRLH-APWZRJJASA-N 2 1 299.462 3.330 20 30 CGEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172497374 808352848 /nfs/dbraw/zinc/35/28/48/808352848.db2.gz BJJJRMRHNGYKRG-ULQDDVLXSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172497374 808352859 /nfs/dbraw/zinc/35/28/59/808352859.db2.gz BJJJRMRHNGYKRG-ULQDDVLXSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172497374 808352868 /nfs/dbraw/zinc/35/28/68/808352868.db2.gz BJJJRMRHNGYKRG-ULQDDVLXSA-N 2 1 277.456 3.408 20 30 CGEDMP C=CCOC1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001173312724 808606549 /nfs/dbraw/zinc/60/65/49/808606549.db2.gz KXMZXSIGJMERSD-AOCRQIFASA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCOC1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318897 808609819 /nfs/dbraw/zinc/60/98/19/808609819.db2.gz PEDMOTYZZGYXHZ-MJYONLJCSA-N 2 1 294.483 3.481 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328226 808614096 /nfs/dbraw/zinc/61/40/96/808614096.db2.gz SQXISWCDUXAKQN-GTPINHCMSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584849 808646473 /nfs/dbraw/zinc/64/64/73/808646473.db2.gz NZPZCIRVQNUZKD-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584849 808646477 /nfs/dbraw/zinc/64/64/77/808646477.db2.gz NZPZCIRVQNUZKD-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(C)cc3C#N)(C1)CCC2 ZINC001275615828 808951873 /nfs/dbraw/zinc/95/18/73/808951873.db2.gz ALIBIBSFHVPGNH-ZWKOTPCHSA-N 2 1 283.419 3.021 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209187 812909410 /nfs/dbraw/zinc/90/94/10/812909410.db2.gz IASKXNGSSIZDCV-KBOKABMXSA-N 2 1 282.472 3.079 20 30 CGEDMP C=CCc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1O ZINC001206548124 813348638 /nfs/dbraw/zinc/34/86/38/813348638.db2.gz HBAQULIOQDJUEX-SFHVURJKSA-N 2 1 288.435 3.072 20 30 CGEDMP CC[NH+](CC)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208858041 813869508 /nfs/dbraw/zinc/86/95/08/813869508.db2.gz IOCGMGOSDRZGAY-UHFFFAOYSA-N 2 1 299.462 3.297 20 30 CGEDMP C=CC[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940519 813907022 /nfs/dbraw/zinc/90/70/22/813907022.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940519 813907030 /nfs/dbraw/zinc/90/70/30/813907030.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940519 813907035 /nfs/dbraw/zinc/90/70/35/813907035.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=C(C)C[N@H+](CC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146579 818263583 /nfs/dbraw/zinc/26/35/83/818263583.db2.gz UTBTVNLJDLJPAU-UHFFFAOYSA-N 2 1 264.388 3.285 20 30 CGEDMP C#Cc1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235159771 819019593 /nfs/dbraw/zinc/01/95/93/819019593.db2.gz OKOZUUVQQSKRMN-LJQANCHMSA-N 2 1 282.431 3.022 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426203 819092584 /nfs/dbraw/zinc/09/25/84/819092584.db2.gz NWHZTURIUYACBM-SJORKVTESA-N 2 1 264.457 3.444 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425141 819093344 /nfs/dbraw/zinc/09/33/44/819093344.db2.gz IKKOZELRDVSFMT-IRXDYDNUSA-N 2 1 297.446 3.078 20 30 CGEDMP N#CCC[N@H+](CCCCC[NH3+])C1CCCCCCC1 ZINC001235664360 819132202 /nfs/dbraw/zinc/13/22/02/819132202.db2.gz RWJYFEVGZNJCBR-UHFFFAOYSA-N 2 1 265.445 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235928862 819228069 /nfs/dbraw/zinc/22/80/69/819228069.db2.gz DKWCUKXDSFFWFM-PIIXRYACSA-N 2 1 264.457 3.444 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001462199081 937624508 /nfs/dbraw/zinc/62/45/08/937624508.db2.gz HKAQXKRUUSIYSC-SFHVURJKSA-N 2 1 276.468 3.234 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975354 933029075 /nfs/dbraw/zinc/02/90/75/933029075.db2.gz JETJKPUVRIGJKU-MRXNPFEDSA-N 2 1 272.436 3.372 20 30 CGEDMP N#CC1(c2ccccc2)CC([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC001329025112 935180060 /nfs/dbraw/zinc/18/00/60/935180060.db2.gz YPBXPVCOFHXTAC-JLAWEPINSA-N 2 1 297.446 3.108 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001474622073 937871083 /nfs/dbraw/zinc/87/10/83/937871083.db2.gz NSFLXBTUPGRSAN-HNNXBMFYSA-N 2 1 250.430 3.006 20 30 CGEDMP C#CCCCCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574544305 962308203 /nfs/dbraw/zinc/30/82/03/962308203.db2.gz ARWLGDFLOPFJLF-KRWDZBQOSA-N 2 1 262.441 3.036 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001579554077 962636302 /nfs/dbraw/zinc/63/63/02/962636302.db2.gz MPJODGHQLJJKOF-MJGOQNOKSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC(=C)C)CC2)C1 ZINC000651700848 398271200 /nfs/dbraw/zinc/27/12/00/398271200.db2.gz WGHHCGJBMNYNHO-RDJZCZTQSA-N 2 1 262.441 3.361 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1F ZINC000591582956 346930139 /nfs/dbraw/zinc/93/01/39/346930139.db2.gz VLMOVOICEBWGPC-JSGCOSHPSA-N 2 1 287.382 3.023 20 30 CGEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000591578034 346930327 /nfs/dbraw/zinc/93/03/27/346930327.db2.gz OJPQADLLZOZEFW-JLAWEPINSA-N 2 1 297.446 3.122 20 30 CGEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088361 260208876 /nfs/dbraw/zinc/20/88/76/260208876.db2.gz BNXOAMVHMIHQIY-XNIRIUNOSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088361 260208878 /nfs/dbraw/zinc/20/88/78/260208878.db2.gz BNXOAMVHMIHQIY-XNIRIUNOSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843881 345188883 /nfs/dbraw/zinc/18/88/83/345188883.db2.gz HQWPJVQCJJBWOR-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000093770289 345886280 /nfs/dbraw/zinc/88/62/80/345886280.db2.gz CDSFXLDHBYJGCP-INIZCTEOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000093770289 345886283 /nfs/dbraw/zinc/88/62/83/345886283.db2.gz CDSFXLDHBYJGCP-INIZCTEOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770289 345886290 /nfs/dbraw/zinc/88/62/90/345886290.db2.gz CDSFXLDHBYJGCP-INIZCTEOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000093770289 345886293 /nfs/dbraw/zinc/88/62/93/345886293.db2.gz CDSFXLDHBYJGCP-INIZCTEOSA-N 2 1 288.435 3.025 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594496070 347178785 /nfs/dbraw/zinc/17/87/85/347178785.db2.gz YUOBTXVIEWWINN-ROUUACIJSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594496070 347178787 /nfs/dbraw/zinc/17/87/87/347178787.db2.gz YUOBTXVIEWWINN-ROUUACIJSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057218 347272441 /nfs/dbraw/zinc/27/24/41/347272441.db2.gz VGPXNYAIWGFCHT-WMZOPIPTSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069295 347713828 /nfs/dbraw/zinc/71/38/28/347713828.db2.gz FKFNZXZYXKICKQ-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069295 347713830 /nfs/dbraw/zinc/71/38/30/347713830.db2.gz FKFNZXZYXKICKQ-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H]1CCC[C@@](C[NH2+]C2CCC(C#N)CC2)([NH+](C)C)C1 ZINC000602517717 347974430 /nfs/dbraw/zinc/97/44/30/347974430.db2.gz FAISYRBFSLTPEA-ZGRYLRDCSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123056 349981328 /nfs/dbraw/zinc/98/13/28/349981328.db2.gz DXKDKDBATYFXNN-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000602953141 348046871 /nfs/dbraw/zinc/04/68/71/348046871.db2.gz WQZYHHHCOGYXFE-UHFFFAOYSA-N 2 1 297.446 3.203 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000617573246 348975611 /nfs/dbraw/zinc/97/56/11/348975611.db2.gz PUSBHPWCWQQQQN-SFHVURJKSA-N 2 1 299.462 3.404 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294111 /nfs/dbraw/zinc/29/41/11/188294111.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294112 /nfs/dbraw/zinc/29/41/12/188294112.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294114 /nfs/dbraw/zinc/29/41/14/188294114.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294116 /nfs/dbraw/zinc/29/41/16/188294116.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 2 1 258.409 3.157 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000271919639 191409605 /nfs/dbraw/zinc/40/96/05/191409605.db2.gz DJCXKNCSRXTTLA-APHBMKBZSA-N 2 1 289.398 3.221 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000120810153 370802771 /nfs/dbraw/zinc/80/27/71/370802771.db2.gz GFSQMHXSIXDBQX-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000120810153 370802776 /nfs/dbraw/zinc/80/27/76/370802776.db2.gz GFSQMHXSIXDBQX-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000120810153 370802782 /nfs/dbraw/zinc/80/27/82/370802782.db2.gz GFSQMHXSIXDBQX-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000127784136 370956208 /nfs/dbraw/zinc/95/62/08/370956208.db2.gz YIRSSFIAZGMGHQ-HUUCEWRRSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(C#N)c1 ZINC000423269260 296153227 /nfs/dbraw/zinc/15/32/27/296153227.db2.gz VVHJJVSCDXUHNF-DYVFJYSZSA-N 2 1 271.408 3.116 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643703 370150217 /nfs/dbraw/zinc/15/02/17/370150217.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643703 370150222 /nfs/dbraw/zinc/15/02/22/370150222.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643703 370150228 /nfs/dbraw/zinc/15/02/28/370150228.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643703 370150232 /nfs/dbraw/zinc/15/02/32/370150232.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229284 370321108 /nfs/dbraw/zinc/32/11/08/370321108.db2.gz LRTCDRSGGZSASK-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C[N@@H+](CCCNCc1ccc(C#N)s1)C1CCCCC1 ZINC000135674530 371443262 /nfs/dbraw/zinc/44/32/62/371443262.db2.gz ZAUDGYTYHCINCJ-UHFFFAOYSA-N 2 1 291.464 3.364 20 30 CGEDMP C[N@H+](CCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000135674530 371443264 /nfs/dbraw/zinc/44/32/64/371443264.db2.gz ZAUDGYTYHCINCJ-UHFFFAOYSA-N 2 1 291.464 3.364 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000135674530 371443266 /nfs/dbraw/zinc/44/32/66/371443266.db2.gz ZAUDGYTYHCINCJ-UHFFFAOYSA-N 2 1 291.464 3.364 20 30 CGEDMP N#CCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291497593 372169731 /nfs/dbraw/zinc/16/97/31/372169731.db2.gz URKNHDCDZOZQTO-UHFFFAOYSA-N 2 1 297.446 3.278 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429726479 372376884 /nfs/dbraw/zinc/37/68/84/372376884.db2.gz UVQAZWCCDRIYAP-IAGOWNOFSA-N 2 1 277.456 3.123 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000442694746 373063688 /nfs/dbraw/zinc/06/36/88/373063688.db2.gz UBIAOXHFUCUARW-HNNXBMFYSA-N 2 1 273.424 3.283 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000442694746 373063693 /nfs/dbraw/zinc/06/36/93/373063693.db2.gz UBIAOXHFUCUARW-HNNXBMFYSA-N 2 1 273.424 3.283 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000449170019 373665354 /nfs/dbraw/zinc/66/53/54/373665354.db2.gz IABMEUQWXBIPCE-LXPRWKDFSA-N 2 1 289.467 3.313 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000449170019 373665361 /nfs/dbraw/zinc/66/53/61/373665361.db2.gz IABMEUQWXBIPCE-LXPRWKDFSA-N 2 1 289.467 3.313 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449284182 373677299 /nfs/dbraw/zinc/67/72/99/373677299.db2.gz OGALMDGZZANMTD-IRXDYDNUSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449284182 373677308 /nfs/dbraw/zinc/67/73/08/373677308.db2.gz OGALMDGZZANMTD-IRXDYDNUSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000449604036 373833647 /nfs/dbraw/zinc/83/36/47/373833647.db2.gz IVRFDSQPJUMRLJ-CVEARBPZSA-N 2 1 264.457 3.443 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470125 /nfs/dbraw/zinc/47/01/25/377470125.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470133 /nfs/dbraw/zinc/47/01/33/377470133.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470139 /nfs/dbraw/zinc/47/01/39/377470139.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[C@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000565168011 377482853 /nfs/dbraw/zinc/48/28/53/377482853.db2.gz AYFYZCLNBBMBDV-GOSISDBHSA-N 2 1 285.435 3.454 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000342781059 377788354 /nfs/dbraw/zinc/78/83/54/377788354.db2.gz MVFVOEZXSCJUFW-UHFFFAOYSA-N 2 1 297.446 3.400 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507114 378402573 /nfs/dbraw/zinc/40/25/73/378402573.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507114 378402578 /nfs/dbraw/zinc/40/25/78/378402578.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507114 378402585 /nfs/dbraw/zinc/40/25/85/378402585.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507114 378402589 /nfs/dbraw/zinc/40/25/89/378402589.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1 ZINC000271845765 378510663 /nfs/dbraw/zinc/51/06/63/378510663.db2.gz HUIQBWYRTFHCRZ-CQSZACIVSA-N 2 1 283.419 3.226 20 30 CGEDMP C=CCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276616003 378967177 /nfs/dbraw/zinc/96/71/77/378967177.db2.gz HIDQHAYESARIIU-KRWDZBQOSA-N 2 1 269.392 3.260 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000349153392 379173224 /nfs/dbraw/zinc/17/32/24/379173224.db2.gz RWRNEXXWPBUGSA-IBGZPJMESA-N 2 1 297.446 3.030 20 30 CGEDMP C=C(C)C[N@@H+](CCn1ccnc1C)Cc1ccccc1 ZINC000279372086 379419095 /nfs/dbraw/zinc/41/90/95/379419095.db2.gz RXRRNUQXKKACGU-UHFFFAOYSA-N 2 1 269.392 3.270 20 30 CGEDMP C=C(C)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000279372086 379419116 /nfs/dbraw/zinc/41/91/16/379419116.db2.gz RXRRNUQXKKACGU-UHFFFAOYSA-N 2 1 269.392 3.270 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351329047 379713973 /nfs/dbraw/zinc/71/39/73/379713973.db2.gz OBNMRPJKXGYHKS-IRXDYDNUSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351329047 379713983 /nfs/dbraw/zinc/71/39/83/379713983.db2.gz OBNMRPJKXGYHKS-IRXDYDNUSA-N 2 1 277.456 3.267 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411304299 380139971 /nfs/dbraw/zinc/13/99/71/380139971.db2.gz HQCKCOWYTPJMLW-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411304299 380139979 /nfs/dbraw/zinc/13/99/79/380139979.db2.gz HQCKCOWYTPJMLW-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420318291 380849055 /nfs/dbraw/zinc/84/90/55/380849055.db2.gz OJAZMZJHVVZOGO-GOSISDBHSA-N 2 1 272.436 3.107 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420317150 380849240 /nfs/dbraw/zinc/84/92/40/380849240.db2.gz NKQAQSWCYMNXCR-INIZCTEOSA-N 2 1 258.409 3.064 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000360969345 381635830 /nfs/dbraw/zinc/63/58/30/381635830.db2.gz RHRVRGGKCVKQLM-WMZOPIPTSA-N 2 1 270.420 3.043 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000360969345 381635835 /nfs/dbraw/zinc/63/58/35/381635835.db2.gz RHRVRGGKCVKQLM-WMZOPIPTSA-N 2 1 270.420 3.043 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431163 381744119 /nfs/dbraw/zinc/74/41/19/381744119.db2.gz CJZGXRLCJOHMMM-WMZOPIPTSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431163 381744130 /nfs/dbraw/zinc/74/41/30/381744130.db2.gz CJZGXRLCJOHMMM-WMZOPIPTSA-N 2 1 297.446 3.323 20 30 CGEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309917168 542427168 /nfs/dbraw/zinc/42/71/68/542427168.db2.gz OXBNTAWMLQQAHP-DOTOQJQBSA-N 2 1 258.409 3.063 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281390736 195222076 /nfs/dbraw/zinc/22/20/76/195222076.db2.gz PSSTVWZQWGAKPK-OAHLLOKOSA-N 2 1 271.408 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281390736 195222079 /nfs/dbraw/zinc/22/20/79/195222079.db2.gz PSSTVWZQWGAKPK-OAHLLOKOSA-N 2 1 271.408 3.037 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836279 392338515 /nfs/dbraw/zinc/33/85/15/392338515.db2.gz DZLPJSBHDGFVRJ-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836279 392338520 /nfs/dbraw/zinc/33/85/20/392338520.db2.gz DZLPJSBHDGFVRJ-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836279 392338526 /nfs/dbraw/zinc/33/85/26/392338526.db2.gz DZLPJSBHDGFVRJ-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836279 392338529 /nfs/dbraw/zinc/33/85/29/392338529.db2.gz DZLPJSBHDGFVRJ-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453322453 542680823 /nfs/dbraw/zinc/68/08/23/542680823.db2.gz QWNNEZYTQJAQIF-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453322453 542680826 /nfs/dbraw/zinc/68/08/26/542680826.db2.gz QWNNEZYTQJAQIF-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000289281928 392419080 /nfs/dbraw/zinc/41/90/80/392419080.db2.gz OTOSLEXAZRJVEG-UHFFFAOYSA-N 2 1 270.420 3.020 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028279 392656963 /nfs/dbraw/zinc/65/69/63/392656963.db2.gz XXQYCZOJPZUFHD-KSZLIROESA-N 2 1 283.419 3.226 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181717627 392735438 /nfs/dbraw/zinc/73/54/38/392735438.db2.gz CYNYRBSTFFUQAG-OAHLLOKOSA-N 2 1 283.419 3.249 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000187714681 392791128 /nfs/dbraw/zinc/79/11/28/392791128.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187714681 392791134 /nfs/dbraw/zinc/79/11/34/392791134.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000187714681 392791138 /nfs/dbraw/zinc/79/11/38/392791138.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078524 392946059 /nfs/dbraw/zinc/94/60/59/392946059.db2.gz DAJBXPMWTXSQOB-WZGPROSRSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343720065 393032582 /nfs/dbraw/zinc/03/25/82/393032582.db2.gz AAPNJOHOTSCLCY-OAHLLOKOSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343720065 393032597 /nfs/dbraw/zinc/03/25/97/393032597.db2.gz AAPNJOHOTSCLCY-OAHLLOKOSA-N 2 1 250.430 3.291 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(C)(C)CCC#N ZINC000349199933 393141101 /nfs/dbraw/zinc/14/11/01/393141101.db2.gz YUGSMQGXVZUAQG-UHFFFAOYSA-N 2 1 290.455 3.487 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(C)(C)CCC#N ZINC000349199933 393141109 /nfs/dbraw/zinc/14/11/09/393141109.db2.gz YUGSMQGXVZUAQG-UHFFFAOYSA-N 2 1 290.455 3.487 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000217833898 287024557 /nfs/dbraw/zinc/02/45/57/287024557.db2.gz NNMFLLLWHNSADL-JKSUJKDBSA-N 2 1 285.435 3.473 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000217833898 287024558 /nfs/dbraw/zinc/02/45/58/287024558.db2.gz NNMFLLLWHNSADL-JKSUJKDBSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657876452 419397906 /nfs/dbraw/zinc/39/79/06/419397906.db2.gz MCLCUPCKFCGEII-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449121117 327022377 /nfs/dbraw/zinc/02/23/77/327022377.db2.gz GAEIVMAMGUJJLG-MRXNPFEDSA-N 2 1 262.441 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187178335 329354491 /nfs/dbraw/zinc/35/44/91/329354491.db2.gz FNNIGYRLBZMLDR-AWEZNQCLSA-N 2 1 282.497 3.148 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000536995980 330375340 /nfs/dbraw/zinc/37/53/40/330375340.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000536995980 330375341 /nfs/dbraw/zinc/37/53/41/330375341.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000536995980 330375342 /nfs/dbraw/zinc/37/53/42/330375342.db2.gz XCYCIUKDRGLSTL-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000233468008 333352724 /nfs/dbraw/zinc/35/27/24/333352724.db2.gz JOFXWCAIWQTTKH-UHFFFAOYSA-N 2 1 265.445 3.123 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000233468008 333352725 /nfs/dbraw/zinc/35/27/25/333352725.db2.gz JOFXWCAIWQTTKH-UHFFFAOYSA-N 2 1 265.445 3.123 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174352147 335153271 /nfs/dbraw/zinc/15/32/71/335153271.db2.gz GZJZMJAYDCVKMR-OAHLLOKOSA-N 2 1 265.445 3.026 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347972487 526754838 /nfs/dbraw/zinc/75/48/38/526754838.db2.gz QRFFMIMRQCGOJT-SFHVURJKSA-N 2 1 294.483 3.023 20 30 CGEDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581577 528254650 /nfs/dbraw/zinc/25/46/50/528254650.db2.gz YUYKZPJPWKCZER-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581577 528254653 /nfs/dbraw/zinc/25/46/53/528254653.db2.gz YUYKZPJPWKCZER-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP CSc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1C#N ZINC000925773644 619234978 /nfs/dbraw/zinc/23/49/78/619234978.db2.gz NXIYEKJMNWKJQF-LSDHHAIUSA-N 2 1 289.448 3.030 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000903453677 621761836 /nfs/dbraw/zinc/76/18/36/621761836.db2.gz HZOHYAXXNAHFLH-ZGUYJTEBSA-N 2 1 289.467 3.028 20 30 CGEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903476240 621764028 /nfs/dbraw/zinc/76/40/28/621764028.db2.gz RJZKBFWHYLWINP-VMBOVVBDSA-N 2 1 277.456 3.013 20 30 CGEDMP C#CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000775401797 628091517 /nfs/dbraw/zinc/09/15/17/628091517.db2.gz ZKNCAIYGEOZBSG-SFHVURJKSA-N 2 1 281.403 3.326 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000815652078 631813530 /nfs/dbraw/zinc/81/35/30/631813530.db2.gz NUZAHOAEHBFUNE-QGZVFWFLSA-N 2 1 290.838 3.262 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000815652078 631813535 /nfs/dbraw/zinc/81/35/35/631813535.db2.gz NUZAHOAEHBFUNE-QGZVFWFLSA-N 2 1 290.838 3.262 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000815652858 631814424 /nfs/dbraw/zinc/81/44/24/631814424.db2.gz XHCPZCAINSXHAN-QGZVFWFLSA-N 2 1 290.838 3.262 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000815652858 631814426 /nfs/dbraw/zinc/81/44/26/631814426.db2.gz XHCPZCAINSXHAN-QGZVFWFLSA-N 2 1 290.838 3.262 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157998 634068078 /nfs/dbraw/zinc/06/80/78/634068078.db2.gz RGDUDPCJRFYDJO-GOEBONIOSA-N 2 1 250.430 3.182 20 30 CGEDMP N#CC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000877733463 635168268 /nfs/dbraw/zinc/16/82/68/635168268.db2.gz SOKPYWSSMNULFP-LEOMRAHMSA-N 2 1 289.467 3.455 20 30 CGEDMP N#CC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000877733463 635168271 /nfs/dbraw/zinc/16/82/71/635168271.db2.gz SOKPYWSSMNULFP-LEOMRAHMSA-N 2 1 289.467 3.455 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411819 635495546 /nfs/dbraw/zinc/49/55/46/635495546.db2.gz OOOBWJHMOWGAMA-RRFJBIMHSA-N 2 1 250.430 3.194 20 30 CGEDMP CC1([NH+]2CCC2)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000880475278 636007807 /nfs/dbraw/zinc/00/78/07/636007807.db2.gz SWCXUUWYLKZOFM-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886522177 637551848 /nfs/dbraw/zinc/55/18/48/637551848.db2.gz DTESFHUEEGZJAX-FHWLQOOXSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000924662233 638386150 /nfs/dbraw/zinc/38/61/50/638386150.db2.gz SXGCMNBFQPSCQZ-QLFBSQMISA-N 2 1 265.445 3.167 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000924662233 638386151 /nfs/dbraw/zinc/38/61/51/638386151.db2.gz SXGCMNBFQPSCQZ-QLFBSQMISA-N 2 1 265.445 3.167 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967566 /nfs/dbraw/zinc/96/75/66/638967566.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 2 1 299.462 3.337 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383091 806631328 /nfs/dbraw/zinc/63/13/28/806631328.db2.gz ZSFZOGXGJJOXNM-KRWDZBQOSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178057569 799106166 /nfs/dbraw/zinc/10/61/66/799106166.db2.gz GUSVPHKZCPWRSM-AWEZNQCLSA-N 2 1 267.376 3.245 20 30 CGEDMP C=CCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000386738772 799440114 /nfs/dbraw/zinc/44/01/14/799440114.db2.gz CEXDCBQEWBEIIZ-UHFFFAOYSA-N 2 1 250.430 3.339 20 30 CGEDMP SCCCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909008 807007195 /nfs/dbraw/zinc/00/71/95/807007195.db2.gz QDDLBJNTSVJTTD-HNNXBMFYSA-N 2 1 284.513 3.473 20 30 CGEDMP SCCCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256909008 807007204 /nfs/dbraw/zinc/00/72/04/807007204.db2.gz QDDLBJNTSVJTTD-HNNXBMFYSA-N 2 1 284.513 3.473 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001246022135 804099448 /nfs/dbraw/zinc/09/94/48/804099448.db2.gz MKOLFZTUKZKQMC-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246066799 804106667 /nfs/dbraw/zinc/10/66/67/804106667.db2.gz RSGJRXRMGPKENH-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246066799 804106671 /nfs/dbraw/zinc/10/66/71/804106671.db2.gz RSGJRXRMGPKENH-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246213507 804210672 /nfs/dbraw/zinc/21/06/72/804210672.db2.gz QTJHHDPNBZZPCX-ZACQAIPSSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246292922 804262584 /nfs/dbraw/zinc/26/25/84/804262584.db2.gz WRMJTQNKUKGGLT-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@@H](C[NH3+])C(C)(C)C)C[C@H](C1)C2 ZINC001246349197 804298647 /nfs/dbraw/zinc/29/86/47/804298647.db2.gz WYMSZIKMQLRYHF-IXXDHKBRSA-N 2 1 250.430 3.084 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246412780 804326289 /nfs/dbraw/zinc/32/62/89/804326289.db2.gz NJBVBZIKGPMEEE-LSDHHAIUSA-N 2 1 270.461 3.092 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246467165 804346628 /nfs/dbraw/zinc/34/66/28/804346628.db2.gz SRBCMVRHPZZNIU-ZACQAIPSSA-N 2 1 284.488 3.482 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486843 804356828 /nfs/dbraw/zinc/35/68/28/804356828.db2.gz FYSOBGZQZDWSOF-IRXDYDNUSA-N 2 1 283.504 3.057 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246486840 804357015 /nfs/dbraw/zinc/35/70/15/804357015.db2.gz FYSOBGZQZDWSOF-DLBZAZTESA-N 2 1 283.504 3.057 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246629727 804460671 /nfs/dbraw/zinc/46/06/71/804460671.db2.gz HLHARNBSPQNVLU-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839930 804548486 /nfs/dbraw/zinc/54/84/86/804548486.db2.gz LOWBQPSIAVSKJH-ZWKOTPCHSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839930 804548489 /nfs/dbraw/zinc/54/84/89/804548489.db2.gz LOWBQPSIAVSKJH-ZWKOTPCHSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921889 804601974 /nfs/dbraw/zinc/60/19/74/804601974.db2.gz TUDKCAXWCWIWKC-ZIAGYGMSSA-N 2 1 252.446 3.440 20 30 CGEDMP CC(C)C[N@H+](C1CCC(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256962325 807017159 /nfs/dbraw/zinc/01/71/59/807017159.db2.gz HXVAFTSBNRYZSQ-PQCUMEFNSA-N 2 1 277.456 3.297 20 30 CGEDMP CCCCCCCCCC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001257546932 807194829 /nfs/dbraw/zinc/19/48/29/807194829.db2.gz JVBLIZMJTZLMCH-INIZCTEOSA-N 2 1 272.477 3.159 20 30 CGEDMP CCCCCCCCCC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001257546932 807194830 /nfs/dbraw/zinc/19/48/30/807194830.db2.gz JVBLIZMJTZLMCH-INIZCTEOSA-N 2 1 272.477 3.159 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H](C1)C2 ZINC001257886421 807237232 /nfs/dbraw/zinc/23/72/32/807237232.db2.gz FUKBYZDKIACZGW-PXNKLJNBSA-N 2 1 274.452 3.336 20 30 CGEDMP CC(C)C[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001258014803 807267012 /nfs/dbraw/zinc/26/70/12/807267012.db2.gz UILRAGOZHRAIQK-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001258014803 807267014 /nfs/dbraw/zinc/26/70/14/807267014.db2.gz UILRAGOZHRAIQK-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP Cc1ccc(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172111670 808179006 /nfs/dbraw/zinc/17/90/06/808179006.db2.gz WHJJAJDCOLIZMT-BJWYYQGGSA-N 2 1 285.435 3.024 20 30 CGEDMP C=CCOC1CCC([NH2+]CC[N@@H+](CC)CCCC)CC1 ZINC001173310924 808606050 /nfs/dbraw/zinc/60/60/50/808606050.db2.gz ANLJRMIRSOXOBX-UHFFFAOYSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCOC1CCC([NH2+]CC[N@H+](CC)CCCC)CC1 ZINC001173310924 808606055 /nfs/dbraw/zinc/60/60/55/808606055.db2.gz ANLJRMIRSOXOBX-UHFFFAOYSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](C(CC)CC)C2)CC1 ZINC001173317339 808608842 /nfs/dbraw/zinc/60/88/42/808608842.db2.gz WKCSUQHTAKBSOW-PQUAAJSLSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](C(CC)CC)C2)CC1 ZINC001173317339 808608843 /nfs/dbraw/zinc/60/88/43/808608843.db2.gz WKCSUQHTAKBSOW-PQUAAJSLSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205981534 813151675 /nfs/dbraw/zinc/15/16/75/813151675.db2.gz DUMORRADCOGVOR-HZPDHXFCSA-N 2 1 252.446 3.430 20 30 CGEDMP CCc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC001206606762 813372110 /nfs/dbraw/zinc/37/21/10/813372110.db2.gz RQXQSTCEFXOAPD-IBGZPJMESA-N 2 1 299.462 3.473 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606835 813373525 /nfs/dbraw/zinc/37/35/25/813373525.db2.gz UIGJMTBPQUTNHC-LJQANCHMSA-N 2 1 299.462 3.473 20 30 CGEDMP C=CC[N@H+](CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001207402155 813558754 /nfs/dbraw/zinc/55/87/54/813558754.db2.gz YBYPESHOANFUHB-UHFFFAOYSA-N 2 1 250.430 3.149 20 30 CGEDMP C#CC[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001208113250 813696293 /nfs/dbraw/zinc/69/62/93/813696293.db2.gz FNOVVZQBENTZRV-LJQANCHMSA-N 2 1 296.458 3.341 20 30 CGEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001208619881 813777801 /nfs/dbraw/zinc/77/78/01/813777801.db2.gz ZBFIHQSHVVVEOT-KRWDZBQOSA-N 2 1 297.446 3.079 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001232146212 818264208 /nfs/dbraw/zinc/26/42/08/818264208.db2.gz LVHSOJGWVMZBDN-AWEZNQCLSA-N 2 1 289.398 3.013 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024428 818979937 /nfs/dbraw/zinc/97/99/37/818979937.db2.gz LNTUJGSNQLCSEL-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC23CC[NH2+]CC3)CC1 ZINC001235101858 819002752 /nfs/dbraw/zinc/00/27/52/819002752.db2.gz HPBXQDGVEXMHPG-MRXNPFEDSA-N 2 1 260.425 3.117 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001235112275 819007181 /nfs/dbraw/zinc/00/71/81/819007181.db2.gz ZOEWSDQGGNRUBS-IAGOWNOFSA-N 2 1 260.425 3.117 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001235112275 819007184 /nfs/dbraw/zinc/00/71/84/819007184.db2.gz ZOEWSDQGGNRUBS-IAGOWNOFSA-N 2 1 260.425 3.117 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235426197 819093169 /nfs/dbraw/zinc/09/31/69/819093169.db2.gz NWHZTURIUYACBM-IAGOWNOFSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCC[N@H+](C)Cc1cc2c(s1)C[NH2+]CC2 ZINC001236084689 819307074 /nfs/dbraw/zinc/30/70/74/819307074.db2.gz DZODMWDWEHGEDP-UHFFFAOYSA-N 2 1 264.438 3.182 20 30 CGEDMP C=CC[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C(C)(C)C ZINC001236308801 819418780 /nfs/dbraw/zinc/41/87/80/819418780.db2.gz HGKJMXJORCQKQC-UHFFFAOYSA-N 2 1 264.438 3.180 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001308433411 933110043 /nfs/dbraw/zinc/11/00/43/933110043.db2.gz MBONVRSGOVNOBJ-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001308433411 933110045 /nfs/dbraw/zinc/11/00/45/933110045.db2.gz MBONVRSGOVNOBJ-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822627 /nfs/dbraw/zinc/82/26/27/346822627.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822629 /nfs/dbraw/zinc/82/26/29/346822629.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822631 /nfs/dbraw/zinc/82/26/31/346822631.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000591582518 346930273 /nfs/dbraw/zinc/93/02/73/346930273.db2.gz YMBPCRCTDTZLPI-ROUUACIJSA-N 2 1 283.419 3.043 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000127322535 187296427 /nfs/dbraw/zinc/29/64/27/187296427.db2.gz SWACSYSWEGIMLN-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000127322535 187296428 /nfs/dbraw/zinc/29/64/28/187296428.db2.gz SWACSYSWEGIMLN-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494776 347177417 /nfs/dbraw/zinc/17/74/17/347177417.db2.gz FZBADHVHNSKXDD-UHFFFAOYSA-N 2 1 296.418 3.173 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000596654276 347499087 /nfs/dbraw/zinc/49/90/87/347499087.db2.gz ZVZFGPQMWWYWTP-IXDOHACOSA-N 2 1 289.467 3.361 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000602515056 347974526 /nfs/dbraw/zinc/97/45/26/347974526.db2.gz SRPKUIOCDBYCAK-CVEARBPZSA-N 2 1 265.445 3.028 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602647363 348000769 /nfs/dbraw/zinc/00/07/69/348000769.db2.gz HLFORUATYXJCRE-FUHWJXTLSA-N 2 1 285.435 3.038 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121042 349978096 /nfs/dbraw/zinc/97/80/96/349978096.db2.gz MNMZJHAEICUMGU-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805219 349156742 /nfs/dbraw/zinc/15/67/42/349156742.db2.gz FAZDDFOFSHNPDQ-SFHVURJKSA-N 2 1 297.446 3.398 20 30 CGEDMP C#CCCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000276233442 193251595 /nfs/dbraw/zinc/25/15/95/193251595.db2.gz NNNSHZFGEKUNOW-DZFIZOCASA-N 2 1 284.447 3.146 20 30 CGEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCC#N)C1 ZINC000072965333 369846916 /nfs/dbraw/zinc/84/69/16/369846916.db2.gz LLFAZAREBGTOGV-DLBZAZTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000072965333 369846923 /nfs/dbraw/zinc/84/69/23/369846923.db2.gz LLFAZAREBGTOGV-DLBZAZTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000072965333 369846925 /nfs/dbraw/zinc/84/69/25/369846925.db2.gz LLFAZAREBGTOGV-DLBZAZTESA-N 2 1 277.456 3.267 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564222 370142869 /nfs/dbraw/zinc/14/28/69/370142869.db2.gz XBBQXIIAJGWJOF-MRXNPFEDSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000130562326 371042983 /nfs/dbraw/zinc/04/29/83/371042983.db2.gz LVXPQJCEBRQYFD-HRCADAONSA-N 2 1 252.446 3.441 20 30 CGEDMP CN(CCC[NH2+]Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000135672838 371443022 /nfs/dbraw/zinc/44/30/22/371443022.db2.gz AIDWPJZUILDCFV-UHFFFAOYSA-N 2 1 299.443 3.231 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430341 220078823 /nfs/dbraw/zinc/07/88/23/220078823.db2.gz WIXQGEQWKACWAD-LPHOPBHVSA-N 2 1 297.446 3.256 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436244963 372832307 /nfs/dbraw/zinc/83/23/07/372832307.db2.gz STURNOCAGMKRFU-UHFFFAOYSA-N 2 1 287.382 3.047 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531269 373446277 /nfs/dbraw/zinc/44/62/77/373446277.db2.gz QNUSASIMSBUDSK-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657263 375896406 /nfs/dbraw/zinc/89/64/06/375896406.db2.gz POFBQCSPIBXUFM-UXLLHSPISA-N 2 1 258.409 3.061 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000543403815 376637986 /nfs/dbraw/zinc/63/79/86/376637986.db2.gz VJKJRMBJRUYQNO-OAHLLOKOSA-N 2 1 250.430 3.195 20 30 CGEDMP C[N@H+](Cc1ccccc1C[NH2+]CCC#N)C1CCCCC1 ZINC000565417417 377487664 /nfs/dbraw/zinc/48/76/64/377487664.db2.gz SJYBOSGDTYTPPC-UHFFFAOYSA-N 2 1 285.435 3.454 20 30 CGEDMP C[N@@H+](Cc1ccccc1C[NH2+]CCC#N)C1CCCCC1 ZINC000565417417 377487672 /nfs/dbraw/zinc/48/76/72/377487672.db2.gz SJYBOSGDTYTPPC-UHFFFAOYSA-N 2 1 285.435 3.454 20 30 CGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000268921136 378153514 /nfs/dbraw/zinc/15/35/14/378153514.db2.gz QFCRIVHSPZOJRL-FUHWJXTLSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000268921136 378153515 /nfs/dbraw/zinc/15/35/15/378153515.db2.gz QFCRIVHSPZOJRL-FUHWJXTLSA-N 2 1 285.435 3.180 20 30 CGEDMP C=C(C)[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000274892636 378914918 /nfs/dbraw/zinc/91/49/18/378914918.db2.gz PZIIGSINJXEZCW-MRXNPFEDSA-N 2 1 291.345 3.377 20 30 CGEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000395410744 379921392 /nfs/dbraw/zinc/92/13/92/379921392.db2.gz XNWMZWGORKWNLZ-UHFFFAOYSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411323630 380141356 /nfs/dbraw/zinc/14/13/56/380141356.db2.gz FFUZRUOXBGIKMT-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411323630 380141360 /nfs/dbraw/zinc/14/13/60/380141360.db2.gz FFUZRUOXBGIKMT-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC(C)[NH2+]C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411366285 380142463 /nfs/dbraw/zinc/14/24/63/380142463.db2.gz PCIDOZLAOSIAIE-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221986 380368393 /nfs/dbraw/zinc/36/83/93/380368393.db2.gz IFAQURXDFWXAAM-GUYCJALGSA-N 2 1 289.398 3.002 20 30 CGEDMP C=CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000310730259 262172004 /nfs/dbraw/zinc/17/20/04/262172004.db2.gz BURATJAAUCNANI-MQVJKMGUSA-N 2 1 250.430 3.338 20 30 CGEDMP C=C(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121845691 392415816 /nfs/dbraw/zinc/41/58/16/392415816.db2.gz MRZMXJCLCRXGCR-CYBMUJFWSA-N 2 1 255.365 3.407 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000349444623 393148125 /nfs/dbraw/zinc/14/81/25/393148125.db2.gz CWVNVARKRHYMBA-MRXNPFEDSA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000353935651 393235628 /nfs/dbraw/zinc/23/56/28/393235628.db2.gz XOQDWQNTYDVFEZ-MAUKXSAKSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCC[NH+](C)Cc1cncc(C[N@@H+](C)CCC=C)c1 ZINC000649471455 393439171 /nfs/dbraw/zinc/43/91/71/393439171.db2.gz WTYFKGPBSWFERF-UHFFFAOYSA-N 2 1 273.424 3.097 20 30 CGEDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000453402209 394234352 /nfs/dbraw/zinc/23/43/52/394234352.db2.gz NMAZWFMWALMYJN-AWEZNQCLSA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223078 226092189 /nfs/dbraw/zinc/09/21/89/226092189.db2.gz KCBXHELVSLEPES-LSDHHAIUSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257732 419095375 /nfs/dbraw/zinc/09/53/75/419095375.db2.gz SLOOJRHMFVQCFS-IAOVAPTHSA-N 2 1 276.399 3.216 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000661114477 419231013 /nfs/dbraw/zinc/23/10/13/419231013.db2.gz IHLSNPHJEIIGPO-GDBMZVCRSA-N 2 1 261.413 3.077 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCn1cc[nH+]c1C ZINC000662087942 419334529 /nfs/dbraw/zinc/33/45/29/419334529.db2.gz QMSAAHDIHRJTMZ-IYBDPMFKSA-N 2 1 259.397 3.155 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCn1cc[nH+]c1C ZINC000662087942 419334530 /nfs/dbraw/zinc/33/45/30/419334530.db2.gz QMSAAHDIHRJTMZ-IYBDPMFKSA-N 2 1 259.397 3.155 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000657992378 419482382 /nfs/dbraw/zinc/48/23/82/419482382.db2.gz ISVPMLILYMJNPY-RCCFBDPRSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000657992378 419482393 /nfs/dbraw/zinc/48/23/93/419482393.db2.gz ISVPMLILYMJNPY-RCCFBDPRSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658114939 419589329 /nfs/dbraw/zinc/58/93/29/419589329.db2.gz SKTDYOFJMSABFP-IPMKNSEASA-N 2 1 284.447 3.453 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467228 419620833 /nfs/dbraw/zinc/62/08/33/419620833.db2.gz DSRDWGZVIPRVKG-DLBZAZTESA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000414949172 263156525 /nfs/dbraw/zinc/15/65/25/263156525.db2.gz NDGIOILBTLVCEH-TZMCWYRMSA-N 2 1 294.826 3.135 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000191778612 270076078 /nfs/dbraw/zinc/07/60/78/270076078.db2.gz AVOYQDGNUCJPDY-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000191778612 270076079 /nfs/dbraw/zinc/07/60/79/270076079.db2.gz AVOYQDGNUCJPDY-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414683082 328213970 /nfs/dbraw/zinc/21/39/70/328213970.db2.gz SMNJKLVWMDEEPJ-ZIAGYGMSSA-N 2 1 264.438 3.124 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799700 329399381 /nfs/dbraw/zinc/39/93/81/329399381.db2.gz YWYTZIPRMUFPDB-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000248763316 329899060 /nfs/dbraw/zinc/89/90/60/329899060.db2.gz GTHMGETYNDEVSE-QZWWFDLISA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(CC)C[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000536881931 330360832 /nfs/dbraw/zinc/36/08/32/330360832.db2.gz PVBWDOKSJJCVEP-UHFFFAOYSA-N 2 1 252.446 3.397 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459730523 331296469 /nfs/dbraw/zinc/29/64/69/331296469.db2.gz KMRKIXAAJUXKIR-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP CC#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000462321636 331319510 /nfs/dbraw/zinc/31/95/10/331319510.db2.gz WNMPFVLAJSAACO-PMACEKPBSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321636 331319511 /nfs/dbraw/zinc/31/95/11/331319511.db2.gz WNMPFVLAJSAACO-PMACEKPBSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321636 331319512 /nfs/dbraw/zinc/31/95/12/331319512.db2.gz WNMPFVLAJSAACO-PMACEKPBSA-N 2 1 296.458 3.386 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@@H]1C=C ZINC000489482672 332055266 /nfs/dbraw/zinc/05/52/66/332055266.db2.gz RIMQELNGOJIVAF-IRXDYDNUSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1C=C ZINC000489482672 332055267 /nfs/dbraw/zinc/05/52/67/332055267.db2.gz RIMQELNGOJIVAF-IRXDYDNUSA-N 2 1 262.441 3.458 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248391934 334299706 /nfs/dbraw/zinc/29/97/06/334299706.db2.gz DVBORSGEXKXQMJ-AKHDSKFASA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248391934 334299707 /nfs/dbraw/zinc/29/97/07/334299707.db2.gz DVBORSGEXKXQMJ-AKHDSKFASA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248894309 334321110 /nfs/dbraw/zinc/32/11/10/334321110.db2.gz SYRBQSILSUSYCC-YVSFHVDLSA-N 2 1 291.483 3.415 20 30 CGEDMP C=CCOc1ccc(C[N@H+](CCC)C2CC[NH2+]CC2)cc1 ZINC000347100645 526863639 /nfs/dbraw/zinc/86/36/39/526863639.db2.gz LSXBOOXXZRKECR-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423272891 528519080 /nfs/dbraw/zinc/51/90/80/528519080.db2.gz ZPPMOZJNRJKSIV-AEFFLSMTSA-N 2 1 285.435 3.289 20 30 CGEDMP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000898306059 620509124 /nfs/dbraw/zinc/50/91/24/620509124.db2.gz DBMWGEJRAZNLSL-UHFFFAOYSA-N 2 1 299.462 3.261 20 30 CGEDMP C=CCCC[N@H+](CC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000904475019 621925589 /nfs/dbraw/zinc/92/55/89/621925589.db2.gz XODXDGRSBXUUBO-UHFFFAOYSA-N 2 1 264.438 3.182 20 30 CGEDMP CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000788477417 629057402 /nfs/dbraw/zinc/05/74/02/629057402.db2.gz CDBMBRNRSCMYPG-HNNXBMFYSA-N 2 1 285.435 3.283 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000793568059 629484735 /nfs/dbraw/zinc/48/47/35/629484735.db2.gz RKEJGWBZYLAHTF-KRWDZBQOSA-N 2 1 295.515 3.127 20 30 CGEDMP N#CCc1cccc2c1CC[N@H+](CCCCCCC[NH3+])C2 ZINC000863570926 629607056 /nfs/dbraw/zinc/60/70/56/629607056.db2.gz MTPSIKAAEXCMNS-UHFFFAOYSA-N 2 1 285.435 3.020 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000815651736 631813330 /nfs/dbraw/zinc/81/33/30/631813330.db2.gz BQTXITDKAKERLS-LSDHHAIUSA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000815651736 631813334 /nfs/dbraw/zinc/81/33/34/631813334.db2.gz BQTXITDKAKERLS-LSDHHAIUSA-N 2 1 292.854 3.377 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850907 633158940 /nfs/dbraw/zinc/15/89/40/633158940.db2.gz GCLZBRJPDWRYCN-SJLPKXTDSA-N 2 1 294.483 3.354 20 30 CGEDMP C=C(C)C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=C)C)CC1 ZINC000886392081 637524604 /nfs/dbraw/zinc/52/46/04/637524604.db2.gz SQELVKOGCBOELV-WKILWMFISA-N 2 1 250.430 3.313 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000924662218 638386083 /nfs/dbraw/zinc/38/60/83/638386083.db2.gz SXGCMNBFQPSCQZ-ILXRZTDVSA-N 2 1 265.445 3.167 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000924662218 638386085 /nfs/dbraw/zinc/38/60/85/638386085.db2.gz SXGCMNBFQPSCQZ-ILXRZTDVSA-N 2 1 265.445 3.167 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929748552 638946362 /nfs/dbraw/zinc/94/63/62/638946362.db2.gz LXNYHXDJJHUQOC-KRWDZBQOSA-N 2 1 299.462 3.339 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929748552 638946365 /nfs/dbraw/zinc/94/63/65/638946365.db2.gz LXNYHXDJJHUQOC-KRWDZBQOSA-N 2 1 299.462 3.339 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779624 638950024 /nfs/dbraw/zinc/95/00/24/638950024.db2.gz GJCIRHLQQZNKRQ-RDHHWEPZSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779624 638950026 /nfs/dbraw/zinc/95/00/26/638950026.db2.gz GJCIRHLQQZNKRQ-RDHHWEPZSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779624 638950027 /nfs/dbraw/zinc/95/00/27/638950027.db2.gz GJCIRHLQQZNKRQ-RDHHWEPZSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950344 /nfs/dbraw/zinc/95/03/44/638950344.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950346 /nfs/dbraw/zinc/95/03/46/638950346.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950348 /nfs/dbraw/zinc/95/03/48/638950348.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 2 1 299.462 3.480 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782311 638951388 /nfs/dbraw/zinc/95/13/88/638951388.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782311 638951389 /nfs/dbraw/zinc/95/13/89/638951389.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782311 638951390 /nfs/dbraw/zinc/95/13/90/638951390.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782311 638951391 /nfs/dbraw/zinc/95/13/91/638951391.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 2 1 285.435 3.090 20 30 CGEDMP C[NH+]1CCC2(CCC[N@@H+](CC3CCC(C#N)CC3)C2)CC1 ZINC000930310724 638990151 /nfs/dbraw/zinc/99/01/51/638990151.db2.gz NHFRBZSSRXRGFY-UHFFFAOYSA-N 2 1 289.467 3.124 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000930578318 639031179 /nfs/dbraw/zinc/03/11/79/639031179.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930578318 639031183 /nfs/dbraw/zinc/03/11/83/639031183.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000930578318 639031186 /nfs/dbraw/zinc/03/11/86/639031186.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526383 806441381 /nfs/dbraw/zinc/44/13/81/806441381.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[NH+](C)CC1 ZINC001254526383 806441389 /nfs/dbraw/zinc/44/13/89/806441389.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCC[NH+](C)CC1 ZINC001254526383 806441393 /nfs/dbraw/zinc/44/13/93/806441393.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001254669003 806479399 /nfs/dbraw/zinc/47/93/99/806479399.db2.gz MMHBTJGUOOCTKM-ZACQAIPSSA-N 2 1 275.440 3.019 20 30 CGEDMP CC(C)(S)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389770 806633695 /nfs/dbraw/zinc/63/36/95/806633695.db2.gz SQFAYBYGKRBGCM-INIZCTEOSA-N 2 1 292.492 3.339 20 30 CGEDMP C#CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178057556 799106100 /nfs/dbraw/zinc/10/61/00/799106100.db2.gz GUSVPHKZCPWRSM-CQSZACIVSA-N 2 1 267.376 3.245 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703629377 799926993 /nfs/dbraw/zinc/92/69/93/799926993.db2.gz DYKOIJNICYCTEQ-XYTVBORESA-N 2 1 262.441 3.195 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001255940797 806790112 /nfs/dbraw/zinc/79/01/12/806790112.db2.gz GSPMCJYUNHTYDO-LSDHHAIUSA-N 2 1 273.424 3.329 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)C[NH+](C)C)cc1 ZINC001163785045 806827828 /nfs/dbraw/zinc/82/78/28/806827828.db2.gz ASPYHQUAUASVHT-MAUKXSAKSA-N 2 1 287.451 3.372 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172477067 808341432 /nfs/dbraw/zinc/34/14/32/808341432.db2.gz UQGPTKYGNURDAZ-INIZCTEOSA-N 2 1 285.435 3.323 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246029552 804102084 /nfs/dbraw/zinc/10/20/84/804102084.db2.gz PYQZDAUGTRNRFI-KSZLIROESA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032153 804102093 /nfs/dbraw/zinc/10/20/93/804102093.db2.gz RTGVLSZLKKMFJI-IXDOHACOSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032153 804102097 /nfs/dbraw/zinc/10/20/97/804102097.db2.gz RTGVLSZLKKMFJI-IXDOHACOSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034132 804102752 /nfs/dbraw/zinc/10/27/52/804102752.db2.gz MPIRBFPUGXEMBA-SJORKVTESA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]([NH3+])COC ZINC001246238103 804230159 /nfs/dbraw/zinc/23/01/59/804230159.db2.gz DJWZADKOXNPKGT-HZPDHXFCSA-N 2 1 272.477 3.325 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246329723 804284331 /nfs/dbraw/zinc/28/43/31/804284331.db2.gz WQVSTQPADQPZJE-JYJNAYRXSA-N 2 1 288.435 3.433 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246399659 804321459 /nfs/dbraw/zinc/32/14/59/804321459.db2.gz KVLAJABQNRONHB-PBHICJAKSA-N 2 1 289.398 3.148 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)C[C@H](C1)C2 ZINC001246592782 804435432 /nfs/dbraw/zinc/43/54/32/804435432.db2.gz QREVKCVDTTVVFJ-UIJGJVKASA-N 2 1 262.441 3.181 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617100 804452453 /nfs/dbraw/zinc/45/24/53/804452453.db2.gz XUDDYGPFEIRRTH-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617100 804452456 /nfs/dbraw/zinc/45/24/56/804452456.db2.gz XUDDYGPFEIRRTH-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)C[C@H](C1)C2 ZINC001246630378 804460214 /nfs/dbraw/zinc/46/02/14/804460214.db2.gz ORDLLXMCPDKZPO-FVGDGBDSSA-N 2 1 274.452 3.053 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246658523 804482331 /nfs/dbraw/zinc/48/23/31/804482331.db2.gz CNPVNVNXDQWTPN-JONQDZQNSA-N 2 1 252.446 3.405 20 30 CGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256967150 807019260 /nfs/dbraw/zinc/01/92/60/807019260.db2.gz VSPAFPORGNOWMS-UHFFFAOYSA-N 2 1 298.434 3.011 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867629 804570159 /nfs/dbraw/zinc/57/01/59/804570159.db2.gz PSZCCODVNANGRB-PMPSAXMXSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867629 804570164 /nfs/dbraw/zinc/57/01/64/804570164.db2.gz PSZCCODVNANGRB-PMPSAXMXSA-N 2 1 252.446 3.419 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1CC ZINC001248752264 804983695 /nfs/dbraw/zinc/98/36/95/804983695.db2.gz DSZCTCUTRYWJCR-UHFFFAOYSA-N 2 1 287.451 3.284 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CCC)CCC[NH3+])C[C@H](C1)C2 ZINC001257886848 807238077 /nfs/dbraw/zinc/23/80/77/807238077.db2.gz NRMUCOCRLQNTLI-XYPWUTKMSA-N 2 1 250.430 3.182 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168021536 807301141 /nfs/dbraw/zinc/30/11/41/807301141.db2.gz PUNWMOXNXCGFKC-ALXJQNPVSA-N 2 1 285.435 3.321 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172301118 808220710 /nfs/dbraw/zinc/22/07/10/808220710.db2.gz KPDBHUPEYSENBB-FZDIXFNVSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172301118 808220713 /nfs/dbraw/zinc/22/07/13/808220713.db2.gz KPDBHUPEYSENBB-FZDIXFNVSA-N 2 1 297.446 3.094 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300513 808220745 /nfs/dbraw/zinc/22/07/45/808220745.db2.gz WLDWFWXYRIULMT-QAPCUYQASA-N 2 1 299.462 3.342 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300513 808220749 /nfs/dbraw/zinc/22/07/49/808220749.db2.gz WLDWFWXYRIULMT-QAPCUYQASA-N 2 1 299.462 3.342 20 30 CGEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173319579 808610317 /nfs/dbraw/zinc/61/03/17/808610317.db2.gz NCNRPMFNWITSBW-AQEOSJORSA-N 2 1 294.483 3.209 20 30 CGEDMP N#CCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277943011 809107770 /nfs/dbraw/zinc/10/77/70/809107770.db2.gz JWGSMKAQEKFIAP-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP C=CCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727832 812718806 /nfs/dbraw/zinc/71/88/06/812718806.db2.gz RELRCPJNXVLCMN-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602238 813017889 /nfs/dbraw/zinc/01/78/89/813017889.db2.gz HUWHXNBQFALXBY-HZPDHXFCSA-N 2 1 252.446 3.430 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205638702 813038969 /nfs/dbraw/zinc/03/89/69/813038969.db2.gz RBKZPJPUOJTLFO-RDJZCZTQSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206013737 813165170 /nfs/dbraw/zinc/16/51/70/813165170.db2.gz UAEAPAGBHHTIBP-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001206760419 813426007 /nfs/dbraw/zinc/42/60/07/813426007.db2.gz FXSIOMXWOPDQOL-BHYGNILZSA-N 2 1 262.441 3.348 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207437660 813565771 /nfs/dbraw/zinc/56/57/71/813565771.db2.gz NVIRGSCABVTMOF-UHFFFAOYSA-N 2 1 258.409 3.064 20 30 CGEDMP C=CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208609887 813772708 /nfs/dbraw/zinc/77/27/08/813772708.db2.gz XHIDUXPAZUQRFV-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208609887 813772712 /nfs/dbraw/zinc/77/27/12/813772712.db2.gz XHIDUXPAZUQRFV-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208609887 813772718 /nfs/dbraw/zinc/77/27/18/813772718.db2.gz XHIDUXPAZUQRFV-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC001208609887 813772724 /nfs/dbraw/zinc/77/27/24/813772724.db2.gz XHIDUXPAZUQRFV-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222167845 816367946 /nfs/dbraw/zinc/36/79/46/816367946.db2.gz SXOBTLORWSZGFF-HXUWFJFHSA-N 2 1 296.458 3.414 20 30 CGEDMP CCCCCCCCC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235008238 818979090 /nfs/dbraw/zinc/97/90/90/818979090.db2.gz SPCZDPZIBUEGHZ-SFHVURJKSA-N 2 1 296.499 3.439 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339728 819072528 /nfs/dbraw/zinc/07/25/28/819072528.db2.gz YURBDPRVEBUESK-HNNXBMFYSA-N 2 1 252.446 3.278 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235426199 819093224 /nfs/dbraw/zinc/09/32/24/819093224.db2.gz NWHZTURIUYACBM-IRXDYDNUSA-N 2 1 264.457 3.444 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC001235952481 819243457 /nfs/dbraw/zinc/24/34/57/819243457.db2.gz XZUIZNXAFDUWQA-DLBZAZTESA-N 2 1 262.441 3.220 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073827 819302035 /nfs/dbraw/zinc/30/20/35/819302035.db2.gz RYRISSHMHIVQLJ-SFHVURJKSA-N 2 1 295.515 3.234 20 30 CGEDMP C=CCCCCCCCCC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412837 819458634 /nfs/dbraw/zinc/45/86/34/819458634.db2.gz YVTYTJQKZVWXPM-FVQHAEBGSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462661835 937657974 /nfs/dbraw/zinc/65/79/74/937657974.db2.gz CCDVLSVZWNDLPK-FXUDXRNXSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC001560289786 938251381 /nfs/dbraw/zinc/25/13/81/938251381.db2.gz RAWDSBHIUAGTCV-HZMVEIRTSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC001560289786 938251382 /nfs/dbraw/zinc/25/13/82/938251382.db2.gz RAWDSBHIUAGTCV-HZMVEIRTSA-N 2 1 264.457 3.441 20 30 CGEDMP C#CC[N@H+](CCC1C[C@@H](C)C[C@H](C)C1)C1CC[NH2+]CC1 ZINC001574667133 962309497 /nfs/dbraw/zinc/30/94/97/962309497.db2.gz NBQYUZKAXUFHSY-HOTGVXAUSA-N 2 1 276.468 3.136 20 30 CGEDMP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001580036494 962689015 /nfs/dbraw/zinc/68/90/15/962689015.db2.gz XCDOJUOUZHEQRI-RBUKOAKNSA-N 2 1 297.446 3.148 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000651692898 398270374 /nfs/dbraw/zinc/27/03/74/398270374.db2.gz WBKJEAVFRXJFRZ-OWCLPIDISA-N 2 1 250.430 3.053 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404323 346985215 /nfs/dbraw/zinc/98/52/15/346985215.db2.gz XMFXXROJZBEGEP-OWYHZJEWSA-N 2 1 297.446 3.004 20 30 CGEDMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562118 /nfs/dbraw/zinc/56/21/18/346562118.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562121 /nfs/dbraw/zinc/56/21/21/346562121.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562124 /nfs/dbraw/zinc/56/21/24/346562124.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562127 /nfs/dbraw/zinc/56/21/27/346562127.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501898 347180302 /nfs/dbraw/zinc/18/03/02/347180302.db2.gz DSDVEBLLNZKQPG-KRWDZBQOSA-N 2 1 299.462 3.309 20 30 CGEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594978615 347247844 /nfs/dbraw/zinc/24/78/44/347247844.db2.gz SUXQXJRUYFJVKT-OAHLLOKOSA-N 2 1 277.456 3.313 20 30 CGEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594978615 347247847 /nfs/dbraw/zinc/24/78/47/347247847.db2.gz SUXQXJRUYFJVKT-OAHLLOKOSA-N 2 1 277.456 3.313 20 30 CGEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993884 347704738 /nfs/dbraw/zinc/70/47/38/347704738.db2.gz DNASJDGGYBNFQU-QGZVFWFLSA-N 2 1 299.462 3.309 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514871 347974275 /nfs/dbraw/zinc/97/42/75/347974275.db2.gz ROPMVSYNVZBDHX-OQSMONGASA-N 2 1 291.483 3.416 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517688 347974313 /nfs/dbraw/zinc/97/43/13/347974313.db2.gz DLTQVFIFTIFLNA-BZUAXINKSA-N 2 1 265.445 3.026 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000611390992 348444250 /nfs/dbraw/zinc/44/42/50/348444250.db2.gz YZVQOPIMAKNVBF-DNVCBOLYSA-N 2 1 295.430 3.010 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614169797 348654416 /nfs/dbraw/zinc/65/44/16/348654416.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169797 348654423 /nfs/dbraw/zinc/65/44/23/348654423.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169797 348654424 /nfs/dbraw/zinc/65/44/24/348654424.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 2 1 299.462 3.402 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619672607 349268911 /nfs/dbraw/zinc/26/89/11/349268911.db2.gz KRJQPYXKJBPURQ-QRVBRYPASA-N 2 1 297.446 3.180 20 30 CGEDMP C=CC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703015 350199607 /nfs/dbraw/zinc/19/96/07/350199607.db2.gz PRAKPMYYUMBZJZ-OSFIAYCASA-N 2 1 274.452 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C)c2C)CC1 ZINC000631065981 350941912 /nfs/dbraw/zinc/94/19/12/350941912.db2.gz YTPSVURTALZSRR-UHFFFAOYSA-N 2 1 278.465 3.495 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948591 189016205 /nfs/dbraw/zinc/01/62/05/189016205.db2.gz HLSCGEYHPPMNDU-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948591 189016206 /nfs/dbraw/zinc/01/62/06/189016206.db2.gz HLSCGEYHPPMNDU-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100466 189346632 /nfs/dbraw/zinc/34/66/32/189346632.db2.gz SDNDBMDEEYEZDF-YJBOKZPZSA-N 2 1 297.446 3.301 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067691712 369726267 /nfs/dbraw/zinc/72/62/67/369726267.db2.gz CVJNTWSZCHVQNS-MRXNPFEDSA-N 2 1 285.435 3.160 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C)c2C)CC1 ZINC000106246318 370351473 /nfs/dbraw/zinc/35/14/73/370351473.db2.gz QNBYWYHQKFWHRG-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000130562572 371042378 /nfs/dbraw/zinc/04/23/78/371042378.db2.gz LVXPQJCEBRQYFD-PMPSAXMXSA-N 2 1 252.446 3.441 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265727 372043497 /nfs/dbraw/zinc/04/34/97/372043497.db2.gz RGJIRTHPURBNII-QZTJIDSGSA-N 2 1 283.419 3.043 20 30 CGEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159272873 372125708 /nfs/dbraw/zinc/12/57/08/372125708.db2.gz VJOGCYMZOWDWCQ-QZTJIDSGSA-N 2 1 270.420 3.159 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429726480 372377851 /nfs/dbraw/zinc/37/78/51/372377851.db2.gz UVQAZWCCDRIYAP-IRXDYDNUSA-N 2 1 277.456 3.123 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000293674247 372446332 /nfs/dbraw/zinc/44/63/32/372446332.db2.gz VCBSLHNDIGMHLY-UHFFFAOYSA-N 2 1 264.438 3.187 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000439093184 372974058 /nfs/dbraw/zinc/97/40/58/372974058.db2.gz ZTFILSKGCKNSPU-IRXDYDNUSA-N 2 1 264.457 3.441 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764295 373075166 /nfs/dbraw/zinc/07/51/66/373075166.db2.gz HTTBNLGAQQWHPC-KZNAEPCWSA-N 2 1 289.467 3.313 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082486 373661872 /nfs/dbraw/zinc/66/18/72/373661872.db2.gz NPTNKULBRCCRIG-OQSMONGASA-N 2 1 291.483 3.416 20 30 CGEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856355 /nfs/dbraw/zinc/85/63/55/374856355.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856357 /nfs/dbraw/zinc/85/63/57/374856357.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557475 374856360 /nfs/dbraw/zinc/85/63/60/374856360.db2.gz HILARIDLGOBJJP-IAGOWNOFSA-N 2 1 289.467 3.267 20 30 CGEDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccccc1C#N ZINC000191476567 375633647 /nfs/dbraw/zinc/63/36/47/375633647.db2.gz KRRUIIQGKBODLM-UHFFFAOYSA-N 2 1 296.418 3.229 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)([NH+](C)C)C1 ZINC000248763321 377397592 /nfs/dbraw/zinc/39/75/92/377397592.db2.gz GTHMGETYNDEVSE-VQHPVUNQSA-N 2 1 277.456 3.169 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959289 377481992 /nfs/dbraw/zinc/48/19/92/377481992.db2.gz RQAHTVWASVCGNH-QGZVFWFLSA-N 2 1 283.419 3.077 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959289 377481999 /nfs/dbraw/zinc/48/19/99/377481999.db2.gz RQAHTVWASVCGNH-QGZVFWFLSA-N 2 1 283.419 3.077 20 30 CGEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017149 /nfs/dbraw/zinc/01/71/49/378017149.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 2 1 285.435 3.059 20 30 CGEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017154 /nfs/dbraw/zinc/01/71/54/378017154.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 2 1 285.435 3.059 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017158 /nfs/dbraw/zinc/01/71/58/378017158.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 2 1 285.435 3.059 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017163 /nfs/dbraw/zinc/01/71/63/378017163.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 2 1 285.435 3.059 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)cc1 ZINC000279010026 194248930 /nfs/dbraw/zinc/24/89/30/194248930.db2.gz SRTHPPZHQXLGFQ-WBVHZDCISA-N 2 1 294.402 3.058 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)cc1 ZINC000279010015 194249358 /nfs/dbraw/zinc/24/93/58/194249358.db2.gz SRTHPPZHQXLGFQ-DOTOQJQBSA-N 2 1 294.402 3.058 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414177452 380199510 /nfs/dbraw/zinc/19/95/10/380199510.db2.gz IYZSISZLPXNCTK-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420326814 380848867 /nfs/dbraw/zinc/84/88/67/380848867.db2.gz XUONZBCJEJSZQK-OAHLLOKOSA-N 2 1 276.399 3.203 20 30 CGEDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000358571186 533425709 /nfs/dbraw/zinc/42/57/09/533425709.db2.gz OOJIMSBESPKXAI-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000186249266 392779980 /nfs/dbraw/zinc/77/99/80/392779980.db2.gz LCUWZNNKNGLSPL-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000186249266 392779987 /nfs/dbraw/zinc/77/99/87/392779987.db2.gz LCUWZNNKNGLSPL-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000186249266 392779991 /nfs/dbraw/zinc/77/99/91/392779991.db2.gz LCUWZNNKNGLSPL-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186249266 392779996 /nfs/dbraw/zinc/77/99/96/392779996.db2.gz LCUWZNNKNGLSPL-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186249266 392780004 /nfs/dbraw/zinc/78/00/04/392780004.db2.gz LCUWZNNKNGLSPL-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP C[N@H+](CCC[NH+]1CCCC1)CCC1(C#N)CCCCC1 ZINC000411680635 392985027 /nfs/dbraw/zinc/98/50/27/392985027.db2.gz XXWSGODNVLJDFZ-UHFFFAOYSA-N 2 1 277.456 3.268 20 30 CGEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC1(C#N)CCCCC1 ZINC000411680635 392985029 /nfs/dbraw/zinc/98/50/29/392985029.db2.gz XXWSGODNVLJDFZ-UHFFFAOYSA-N 2 1 277.456 3.268 20 30 CGEDMP C=C(C)[C@H](CO)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000649407959 393414036 /nfs/dbraw/zinc/41/40/36/393414036.db2.gz YRYIGCXVQYLYSQ-SFHVURJKSA-N 2 1 296.499 3.003 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668493538 543020201 /nfs/dbraw/zinc/02/02/01/543020201.db2.gz OTRZPIVODLXCRC-OAHLLOKOSA-N 2 1 282.391 3.055 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668493538 543020203 /nfs/dbraw/zinc/02/02/03/543020203.db2.gz OTRZPIVODLXCRC-OAHLLOKOSA-N 2 1 282.391 3.055 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670267255 543149001 /nfs/dbraw/zinc/14/90/01/543149001.db2.gz XTDCZRLCKHYZPT-AWEZNQCLSA-N 2 1 252.446 3.299 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCCN1C(C)C ZINC000662089748 419334289 /nfs/dbraw/zinc/33/42/89/419334289.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 1 262.441 3.432 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[N@H+]1C(C)C ZINC000662089748 419334292 /nfs/dbraw/zinc/33/42/92/419334292.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 1 262.441 3.432 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[N@@H+]1C(C)C ZINC000662089748 419334294 /nfs/dbraw/zinc/33/42/94/419334294.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 1 262.441 3.432 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657875978 419398718 /nfs/dbraw/zinc/39/87/18/419398718.db2.gz RNNOKAOEFOVLQZ-IXDOHACOSA-N 2 1 276.468 3.441 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662299872 419387588 /nfs/dbraw/zinc/38/75/88/419387588.db2.gz YUFSHAAFSAEQFZ-HNNXBMFYSA-N 2 1 270.420 3.120 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663469293 419618856 /nfs/dbraw/zinc/61/88/56/419618856.db2.gz PORMNSULSPDLMV-AEFFLSMTSA-N 2 1 276.468 3.443 20 30 CGEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088360 260208692 /nfs/dbraw/zinc/20/86/92/260208692.db2.gz BNXOAMVHMIHQIY-NUWOQIAWSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088360 260208693 /nfs/dbraw/zinc/20/86/93/260208693.db2.gz BNXOAMVHMIHQIY-NUWOQIAWSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000336806214 262395593 /nfs/dbraw/zinc/39/55/93/262395593.db2.gz LGKYUELFGUKIFX-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000336806214 262395594 /nfs/dbraw/zinc/39/55/94/262395594.db2.gz LGKYUELFGUKIFX-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806214 262395595 /nfs/dbraw/zinc/39/55/95/262395595.db2.gz LGKYUELFGUKIFX-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806214 262395596 /nfs/dbraw/zinc/39/55/96/262395596.db2.gz LGKYUELFGUKIFX-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340441715 263149883 /nfs/dbraw/zinc/14/98/83/263149883.db2.gz DITOHOGPOTXOJS-GOSISDBHSA-N 2 1 285.435 3.495 20 30 CGEDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000414187799 280188081 /nfs/dbraw/zinc/18/80/81/280188081.db2.gz PYXFECSOVFRNDW-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CC)CC1 ZINC000531720385 328028464 /nfs/dbraw/zinc/02/84/64/328028464.db2.gz BAJCNMXFRDGGND-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185868748 329333877 /nfs/dbraw/zinc/33/38/77/329333877.db2.gz WRHGDBDJPWCFNW-GVDBMIGSSA-N 2 1 277.456 3.026 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092565246 330411411 /nfs/dbraw/zinc/41/14/11/330411411.db2.gz GXUMJEHTHSQBEM-GJZGRUSLSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C[C@@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1C=C ZINC000489430764 332051971 /nfs/dbraw/zinc/05/19/71/332051971.db2.gz DJKLKMXKANCBLZ-QZTJIDSGSA-N 2 1 292.467 3.084 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000193328670 333248134 /nfs/dbraw/zinc/24/81/34/333248134.db2.gz JZBOYXBILSIJGY-INIZCTEOSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000193328670 333248135 /nfs/dbraw/zinc/24/81/35/333248135.db2.gz JZBOYXBILSIJGY-INIZCTEOSA-N 2 1 250.430 3.293 20 30 CGEDMP C[C@@H]1C[C@@H](N(C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123059 334116609 /nfs/dbraw/zinc/11/66/09/334116609.db2.gz OSLLPYNUINOGRE-ZBFHGGJFSA-N 2 1 290.838 3.106 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC000581396575 336067885 /nfs/dbraw/zinc/06/78/85/336067885.db2.gz JQIRFHJZIIADIX-OAHLLOKOSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658337 572330239 /nfs/dbraw/zinc/33/02/39/572330239.db2.gz WBLVADDPHIJDNJ-WBVHZDCISA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658337 572330243 /nfs/dbraw/zinc/33/02/43/572330243.db2.gz WBLVADDPHIJDNJ-WBVHZDCISA-N 2 1 258.409 3.205 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000925588243 619075828 /nfs/dbraw/zinc/07/58/28/619075828.db2.gz PAOJYZFQATVYAL-JKSUJKDBSA-N 2 1 279.472 3.272 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924985783 619476783 /nfs/dbraw/zinc/47/67/83/619476783.db2.gz JVOCOAXYFIIARU-MQVJKMGUSA-N 2 1 280.481 3.043 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000237322046 620233133 /nfs/dbraw/zinc/23/31/33/620233133.db2.gz AMUDFLGGHOSBAQ-UHFFFAOYSA-N 2 1 288.435 3.134 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902796291 621450696 /nfs/dbraw/zinc/45/06/96/621450696.db2.gz OUUMDGGFFMDSBV-SCAQPMJSSA-N 2 1 262.441 3.195 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069452 621567640 /nfs/dbraw/zinc/56/76/40/621567640.db2.gz HDLUJGQSJYCCSS-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000903425079 621751654 /nfs/dbraw/zinc/75/16/54/621751654.db2.gz QVCFDVDKRPMONF-UHFFFAOYSA-N 2 1 297.446 3.139 20 30 CGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921538132 625657313 /nfs/dbraw/zinc/65/73/13/625657313.db2.gz UIZMWYPRIKGXFV-ZIAGYGMSSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)CCN1C ZINC000929783727 623640849 /nfs/dbraw/zinc/64/08/49/623640849.db2.gz ZHJQCTCENBPQPC-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@@H+]1C ZINC000929783727 623640854 /nfs/dbraw/zinc/64/08/54/623640854.db2.gz ZHJQCTCENBPQPC-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@H+]1C ZINC000929783727 623640857 /nfs/dbraw/zinc/64/08/57/623640857.db2.gz ZHJQCTCENBPQPC-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783727 623640863 /nfs/dbraw/zinc/64/08/63/623640863.db2.gz ZHJQCTCENBPQPC-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783727 623640866 /nfs/dbraw/zinc/64/08/66/623640866.db2.gz ZHJQCTCENBPQPC-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000922080418 625969149 /nfs/dbraw/zinc/96/91/49/625969149.db2.gz CTXDXODONVTKTB-UHFFFAOYSA-N 2 1 297.446 3.282 20 30 CGEDMP c1cnn([NH+]=C2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]23)c1 ZINC000863163762 629487089 /nfs/dbraw/zinc/48/70/89/629487089.db2.gz OOLRGKYMFAJBAL-SJLPKXTDSA-N 2 1 294.402 3.162 20 30 CGEDMP c1cnn([NH+]=C2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]23)c1 ZINC000863163762 629487095 /nfs/dbraw/zinc/48/70/95/629487095.db2.gz OOLRGKYMFAJBAL-SJLPKXTDSA-N 2 1 294.402 3.162 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000815652619 631813909 /nfs/dbraw/zinc/81/39/09/631813909.db2.gz JWEDZCIXHSPEER-ZDUSSCGKSA-N 2 1 298.883 3.267 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000815652619 631813912 /nfs/dbraw/zinc/81/39/12/631813912.db2.gz JWEDZCIXHSPEER-ZDUSSCGKSA-N 2 1 298.883 3.267 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000815651832 631814275 /nfs/dbraw/zinc/81/42/75/631814275.db2.gz FNCIVWXYXUNHHK-ZDUSSCGKSA-N 2 1 294.439 3.153 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000815651832 631814278 /nfs/dbraw/zinc/81/42/78/631814278.db2.gz FNCIVWXYXUNHHK-ZDUSSCGKSA-N 2 1 294.439 3.153 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000817979725 632270325 /nfs/dbraw/zinc/27/03/25/632270325.db2.gz NSLYYNVLSHSYFR-TZMCWYRMSA-N 2 1 282.815 3.206 20 30 CGEDMP C=CCCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000829443939 633734893 /nfs/dbraw/zinc/73/48/93/633734893.db2.gz LUPGFTDNHPJGFE-UHFFFAOYSA-N 2 1 250.430 3.151 20 30 CGEDMP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000872102434 634022064 /nfs/dbraw/zinc/02/20/64/634022064.db2.gz QLJMZXHYNWKZHS-HZPDHXFCSA-N 2 1 275.440 3.019 20 30 CGEDMP C#CCCCCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000876623081 634870096 /nfs/dbraw/zinc/87/00/96/634870096.db2.gz BWNPCFWBYDAJAD-UHFFFAOYSA-N 2 1 264.457 3.376 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779623 638950278 /nfs/dbraw/zinc/95/02/78/638950278.db2.gz GJCIRHLQQZNKRQ-OTBWCIGPSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779623 638950280 /nfs/dbraw/zinc/95/02/80/638950280.db2.gz GJCIRHLQQZNKRQ-OTBWCIGPSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779623 638950282 /nfs/dbraw/zinc/95/02/82/638950282.db2.gz GJCIRHLQQZNKRQ-OTBWCIGPSA-N 2 1 277.456 3.121 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035352 /nfs/dbraw/zinc/03/53/52/639035352.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035356 /nfs/dbraw/zinc/03/53/56/639035356.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252135666 806021850 /nfs/dbraw/zinc/02/18/50/806021850.db2.gz HIVWNMYBGSCBKS-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252983047 806146458 /nfs/dbraw/zinc/14/64/58/806146458.db2.gz QGMUMSSLEBJMFE-INIZCTEOSA-N 2 1 295.471 3.434 20 30 CGEDMP CCC(CC)[N@@H+]([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254648926 806473092 /nfs/dbraw/zinc/47/30/92/806473092.db2.gz PDCJBAOGXCNMCD-SRABZTEZSA-N 2 1 277.456 3.439 20 30 CGEDMP CC1([NH2+][C@H]2CC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254658462 806477879 /nfs/dbraw/zinc/47/78/79/806477879.db2.gz WJCOLTDMONHEBC-MSOLQXFVSA-N 2 1 297.446 3.323 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379650055 799350742 /nfs/dbraw/zinc/35/07/42/799350742.db2.gz QOXOXPHPIHJFGC-WMZOPIPTSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379650055 799350749 /nfs/dbraw/zinc/35/07/49/799350749.db2.gz QOXOXPHPIHJFGC-WMZOPIPTSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000381439325 799380243 /nfs/dbraw/zinc/38/02/43/799380243.db2.gz WFGFNBPDBLDXAM-QAPCUYQASA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000381439325 799380248 /nfs/dbraw/zinc/38/02/48/799380248.db2.gz WFGFNBPDBLDXAM-QAPCUYQASA-N 2 1 270.420 3.170 20 30 CGEDMP C#C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624124 800177244 /nfs/dbraw/zinc/17/72/44/800177244.db2.gz DKFIAUDUOLTHJC-ZGXWSNOMSA-N 2 1 296.458 3.287 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172501760 808357345 /nfs/dbraw/zinc/35/73/45/808357345.db2.gz FJTTUOOGCRPDPM-HNNXBMFYSA-N 2 1 265.445 3.265 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245995089 804095560 /nfs/dbraw/zinc/09/55/60/804095560.db2.gz SPACQGHZQYKDNO-BBWFWOEESA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001246034151 804101960 /nfs/dbraw/zinc/10/19/60/804101960.db2.gz MWRANMCVZFUGGL-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246292919 804261780 /nfs/dbraw/zinc/26/17/80/804261780.db2.gz WRMJTQNKUKGGLT-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP C#CC1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC001246461560 804341587 /nfs/dbraw/zinc/34/15/87/804341587.db2.gz DEMRDEVVLIOEHM-QZTJIDSGSA-N 2 1 282.431 3.405 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585072 804427975 /nfs/dbraw/zinc/42/79/75/804427975.db2.gz MWPSTGXPMPGUJN-IXDOHACOSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596077 804436909 /nfs/dbraw/zinc/43/69/09/804436909.db2.gz YTVBSSLKCZWWPZ-SOUVJXGZSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246596077 804436913 /nfs/dbraw/zinc/43/69/13/804436913.db2.gz YTVBSSLKCZWWPZ-SOUVJXGZSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246605615 804442048 /nfs/dbraw/zinc/44/20/48/804442048.db2.gz PVIPURPCFUIEFS-INIZCTEOSA-N 2 1 282.472 3.190 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246623393 804455364 /nfs/dbraw/zinc/45/53/64/804455364.db2.gz SRUAHKMLMCUZAW-WFFDWFOESA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246622239 804455391 /nfs/dbraw/zinc/45/53/91/804455391.db2.gz HJUWSONJYNDULW-IXDOHACOSA-N 2 1 282.472 3.046 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647307 804475853 /nfs/dbraw/zinc/47/58/53/804475853.db2.gz RMFJEWOUDNJXNO-SQNIBIBYSA-N 2 1 296.499 3.029 20 30 CGEDMP N#CCC[N@H+]([C@H]1CCC[NH2+]CC1)C1CCCCCCC1 ZINC001246771003 804502820 /nfs/dbraw/zinc/50/28/20/804502820.db2.gz UYSKSERAGQZLPW-KRWDZBQOSA-N 2 1 277.456 3.457 20 30 CGEDMP N#CCC[N@@H+]([C@H]1CCC[NH2+]CC1)C1CCCCCCC1 ZINC001246771003 804502824 /nfs/dbraw/zinc/50/28/24/804502824.db2.gz UYSKSERAGQZLPW-KRWDZBQOSA-N 2 1 277.456 3.457 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246818258 804533480 /nfs/dbraw/zinc/53/34/80/804533480.db2.gz ZDCQJBLQQVIDID-JENIJYKNSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246818258 804533486 /nfs/dbraw/zinc/53/34/86/804533486.db2.gz ZDCQJBLQQVIDID-JENIJYKNSA-N 2 1 282.431 3.140 20 30 CGEDMP N#CC1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001256968962 807018694 /nfs/dbraw/zinc/01/86/94/807018694.db2.gz UUYNWIBONRVLNF-LXPRWKDFSA-N 2 1 289.467 3.409 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907203 804591568 /nfs/dbraw/zinc/59/15/68/804591568.db2.gz IPIDIYFQQOOPMB-BCDXTJNWSA-N 2 1 285.435 3.299 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CCC2(C[NH2+]C2)CC1 ZINC001246948799 804616213 /nfs/dbraw/zinc/61/62/13/804616213.db2.gz MFJMFZHFDBMZPK-UHFFFAOYSA-N 2 1 262.441 3.339 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246985605 804629120 /nfs/dbraw/zinc/62/91/20/804629120.db2.gz LDIXWCOEAKXJIQ-KRWDZBQOSA-N 2 1 297.531 3.351 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246985605 804629122 /nfs/dbraw/zinc/62/91/22/804629122.db2.gz LDIXWCOEAKXJIQ-KRWDZBQOSA-N 2 1 297.531 3.351 20 30 CGEDMP C[C@H](C[NH3+])C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013150 807028545 /nfs/dbraw/zinc/02/85/45/807028545.db2.gz BCAINEOFEKCUKN-RWBZWWBESA-N 2 1 285.435 3.111 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001258005055 807264332 /nfs/dbraw/zinc/26/43/32/807264332.db2.gz OFEMTOLWUWFBTC-LJQANCHMSA-N 2 1 297.446 3.256 20 30 CGEDMP C=CCC[C@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001258732661 807578994 /nfs/dbraw/zinc/57/89/94/807578994.db2.gz AXZLRXFYZMCVCM-HNNXBMFYSA-N 2 1 273.424 3.303 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172349716 808246934 /nfs/dbraw/zinc/24/69/34/808246934.db2.gz FPMLMEIUPXARPA-ZWKOTPCHSA-N 2 1 295.515 3.138 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172487982 808348847 /nfs/dbraw/zinc/34/88/47/808348847.db2.gz JYHRYIWWGCRNQB-LSDHHAIUSA-N 2 1 263.429 3.065 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172487982 808348856 /nfs/dbraw/zinc/34/88/56/808348856.db2.gz JYHRYIWWGCRNQB-LSDHHAIUSA-N 2 1 263.429 3.065 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173319580 808610118 /nfs/dbraw/zinc/61/01/18/808610118.db2.gz NCNRPMFNWITSBW-BFWZDYSYSA-N 2 1 294.483 3.209 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC001173591959 808648954 /nfs/dbraw/zinc/64/89/54/808648954.db2.gz AIWNDXRYGWLMQQ-KZYLPZIUSA-N 2 1 277.456 3.167 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175349137 809371474 /nfs/dbraw/zinc/37/14/74/809371474.db2.gz CQHMAXDSULTGBL-MRXNPFEDSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206303678 813280677 /nfs/dbraw/zinc/28/06/77/813280677.db2.gz FUEXFFQFFCYHJB-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP N#C[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292772 813537150 /nfs/dbraw/zinc/53/71/50/813537150.db2.gz ZJOVHHCFOUPPNV-IBGZPJMESA-N 2 1 297.446 3.134 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC001208168441 813722859 /nfs/dbraw/zinc/72/28/59/813722859.db2.gz JZLXXEZPDJIFGX-MRXNPFEDSA-N 2 1 262.441 3.315 20 30 CGEDMP C#CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268300 813990376 /nfs/dbraw/zinc/99/03/76/813990376.db2.gz FGRPHDLHYQIGNC-WOJBJXKFSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268300 813990383 /nfs/dbraw/zinc/99/03/83/813990383.db2.gz FGRPHDLHYQIGNC-WOJBJXKFSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268300 813990384 /nfs/dbraw/zinc/99/03/84/813990384.db2.gz FGRPHDLHYQIGNC-WOJBJXKFSA-N 2 1 296.458 3.244 20 30 CGEDMP CCCCCCCCCCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052432 818991463 /nfs/dbraw/zinc/99/14/63/818991463.db2.gz FMSNONBOVUZORX-GOSISDBHSA-N 2 1 295.515 3.155 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240985 819045161 /nfs/dbraw/zinc/04/51/61/819045161.db2.gz OUBBTDBWEVDNCR-HZPDHXFCSA-N 2 1 250.430 3.326 20 30 CGEDMP CCCCCCC[N@@H+](CC)Cc1ccc2n1CC[NH2+]C2 ZINC001235660466 819132168 /nfs/dbraw/zinc/13/21/68/819132168.db2.gz FDBUZTHRXXZJKN-UHFFFAOYSA-N 2 1 277.456 3.384 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711193 819148526 /nfs/dbraw/zinc/14/85/26/819148526.db2.gz LOSDVDBJJXXASH-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP CCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236007625 819271816 /nfs/dbraw/zinc/27/18/16/819271816.db2.gz XUXSHKIQVLHSJS-MOPGFXCFSA-N 2 1 286.463 3.430 20 30 CGEDMP C=CCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367315 819437121 /nfs/dbraw/zinc/43/71/21/819437121.db2.gz NKLBONQYRIJJDA-UHFFFAOYSA-N 2 1 276.399 3.346 20 30 CGEDMP C=CCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236367315 819437123 /nfs/dbraw/zinc/43/71/23/819437123.db2.gz NKLBONQYRIJJDA-UHFFFAOYSA-N 2 1 276.399 3.346 20 30 CGEDMP C=CC[N@H+](Cc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC001236432557 819477161 /nfs/dbraw/zinc/47/71/61/819477161.db2.gz AINKNGGRHIDXKO-UHFFFAOYSA-N 2 1 258.409 3.466 20 30 CGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240470194 821077580 /nfs/dbraw/zinc/07/75/80/821077580.db2.gz DIRVOFGHTKAPNF-GOSISDBHSA-N 2 1 268.404 3.386 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711694 937110941 /nfs/dbraw/zinc/11/09/41/937110941.db2.gz SPOXMNWBTJRDNW-INIZCTEOSA-N 2 1 277.456 3.267 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)[C@@H](C)C1 ZINC001173332621 928228898 /nfs/dbraw/zinc/22/88/98/928228898.db2.gz PPXIASBUKDBQNB-OTBWCIGPSA-N 2 1 277.456 3.167 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001461539046 937584895 /nfs/dbraw/zinc/58/48/95/937584895.db2.gz MRRMJJRBVFHREC-VQHVLOKHSA-N 2 1 284.447 3.170 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1c(C)cc(C)cc1C ZINC001461539046 937584897 /nfs/dbraw/zinc/58/48/97/937584897.db2.gz MRRMJJRBVFHREC-VQHVLOKHSA-N 2 1 284.447 3.170 20 30 CGEDMP CCCCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001307978383 933029039 /nfs/dbraw/zinc/02/90/39/933029039.db2.gz OGJGXWCOFNUNDR-HZPDHXFCSA-N 2 1 252.446 3.230 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC001473993195 937834304 /nfs/dbraw/zinc/83/43/04/937834304.db2.gz WVRZKQAYZZUXMM-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC001473993195 937834306 /nfs/dbraw/zinc/83/43/06/937834306.db2.gz WVRZKQAYZZUXMM-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000651808195 398290686 /nfs/dbraw/zinc/29/06/86/398290686.db2.gz ISRILVZYJCZORV-OAGGEKHMSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C#N)c1 ZINC000591571041 346929107 /nfs/dbraw/zinc/92/91/07/346929107.db2.gz XKSBBGPHXZPSKK-JBBXEZCESA-N 2 1 277.371 3.354 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577753 346930302 /nfs/dbraw/zinc/93/03/02/346930302.db2.gz LQFJJYSXPAYECX-NVXWUHKLSA-N 2 1 271.408 3.043 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(CCC)cc2)CC1 ZINC000592291153 346976347 /nfs/dbraw/zinc/97/63/47/346976347.db2.gz QPFDCQFHVWKTAP-UHFFFAOYSA-N 2 1 272.436 3.379 20 30 CGEDMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032850 347140880 /nfs/dbraw/zinc/14/08/80/347140880.db2.gz ARHVKAMBKGLZLT-UHFFFAOYSA-N 2 1 285.435 3.259 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493080 347177529 /nfs/dbraw/zinc/17/75/29/347177529.db2.gz GINOLZOMRQEIMN-UHFFFAOYSA-N 2 1 299.462 3.450 20 30 CGEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596059503 347377937 /nfs/dbraw/zinc/37/79/37/347377937.db2.gz PETIVRDDJASZEF-WWDZGPRUSA-N 2 1 289.467 3.170 20 30 CGEDMP C[N@H+]1CC[C@H](N[C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971238 347702166 /nfs/dbraw/zinc/70/21/66/347702166.db2.gz SQGGHBSOBJUFBN-DLBZAZTESA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971238 347702168 /nfs/dbraw/zinc/70/21/68/347702168.db2.gz SQGGHBSOBJUFBN-DLBZAZTESA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971238 347702172 /nfs/dbraw/zinc/70/21/72/347702172.db2.gz SQGGHBSOBJUFBN-DLBZAZTESA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602526530 347975744 /nfs/dbraw/zinc/97/57/44/347975744.db2.gz LCFATWZAMCKLHO-RYTJFDOTSA-N 2 1 291.483 3.415 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590233 347990242 /nfs/dbraw/zinc/99/02/42/347990242.db2.gz YDLXLBIUVYYMNJ-ZHALLVOQSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948610 189016399 /nfs/dbraw/zinc/01/63/99/189016399.db2.gz HLSCGEYHPPMNDU-KBPBESRZSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC000178176377 189095467 /nfs/dbraw/zinc/09/54/67/189095467.db2.gz QRWOANQIHHEIEO-AWEZNQCLSA-N 2 1 283.419 3.083 20 30 CGEDMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1 ZINC000423206923 372030804 /nfs/dbraw/zinc/03/08/04/372030804.db2.gz XFWGZRQVKUAVPB-AWEZNQCLSA-N 2 1 271.408 3.261 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854666 373105539 /nfs/dbraw/zinc/10/55/39/373105539.db2.gz LDVRLYQQBJMNNO-INMHGKMJSA-N 2 1 275.440 3.065 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442722176 373070168 /nfs/dbraw/zinc/07/01/68/373070168.db2.gz UYIPXNPJSBMNLQ-MAUKXSAKSA-N 2 1 285.435 3.309 20 30 CGEDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1 ZINC000447562410 373453500 /nfs/dbraw/zinc/45/35/00/373453500.db2.gz LMWNXPBCZUSFLF-SFHVURJKSA-N 2 1 283.419 3.226 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000449170018 373666064 /nfs/dbraw/zinc/66/60/64/373666064.db2.gz IABMEUQWXBIPCE-ADKAHSJRSA-N 2 1 289.467 3.313 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000449170018 373666079 /nfs/dbraw/zinc/66/60/79/373666079.db2.gz IABMEUQWXBIPCE-ADKAHSJRSA-N 2 1 289.467 3.313 20 30 CGEDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335680427 375341534 /nfs/dbraw/zinc/34/15/34/375341534.db2.gz YQUIBNXTDOINKR-LJQANCHMSA-N 2 1 295.430 3.177 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCCCC2)CC1 ZINC000122358503 542024498 /nfs/dbraw/zinc/02/44/98/542024498.db2.gz BZAHFZZYYMTAON-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000516513564 375820812 /nfs/dbraw/zinc/82/08/12/375820812.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=C(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000516513564 375820820 /nfs/dbraw/zinc/82/08/20/375820820.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=C(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000516513564 375820826 /nfs/dbraw/zinc/82/08/26/375820826.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000570038346 377532482 /nfs/dbraw/zinc/53/24/82/377532482.db2.gz YNLBWYUQBQYKQR-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000343415451 377974392 /nfs/dbraw/zinc/97/43/92/377974392.db2.gz AFBVOVNSPUCZDV-INIZCTEOSA-N 2 1 279.472 3.418 20 30 CGEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000578549533 378079921 /nfs/dbraw/zinc/07/99/21/378079921.db2.gz QJXNJLXXNHFYDI-ARFHVFGLSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CCCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272717781 378693341 /nfs/dbraw/zinc/69/33/41/378693341.db2.gz DSYVXBXTPIXTBS-PKOBYXMFSA-N 2 1 284.447 3.290 20 30 CGEDMP C=CCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272463010 378643385 /nfs/dbraw/zinc/64/33/85/378643385.db2.gz KOOZFSBOACTWAB-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C(C)C)CC2)CC1 ZINC000638523732 378824082 /nfs/dbraw/zinc/82/40/82/378824082.db2.gz DZDOFIHCLLQOKI-UHFFFAOYSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638524664 378825705 /nfs/dbraw/zinc/82/57/05/378825705.db2.gz QNMXIXGWYIMRBI-INIZCTEOSA-N 2 1 284.447 3.032 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638525312 378826733 /nfs/dbraw/zinc/82/67/33/378826733.db2.gz WXOUTFGACJYABO-OWCLPIDISA-N 2 1 262.441 3.053 20 30 CGEDMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000373524765 379293219 /nfs/dbraw/zinc/29/32/19/379293219.db2.gz UYBUGPVFDSPWQU-NNGSBXSVSA-N 2 1 283.419 3.226 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421324519 380873472 /nfs/dbraw/zinc/87/34/72/380873472.db2.gz IIUVFNYRSVRJDH-UHFFFAOYSA-N 2 1 291.414 3.299 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092565256 392233263 /nfs/dbraw/zinc/23/32/63/392233263.db2.gz ARVJGKNMJFFCNS-CVEARBPZSA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181717378 392736146 /nfs/dbraw/zinc/73/61/46/392736146.db2.gz PSSUDMGMFALGCB-OAHLLOKOSA-N 2 1 283.419 3.249 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443988950 393780437 /nfs/dbraw/zinc/78/04/37/393780437.db2.gz PWBLTGWCDCFIIN-MRXNPFEDSA-N 2 1 285.435 3.221 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443988950 393780442 /nfs/dbraw/zinc/78/04/42/393780442.db2.gz PWBLTGWCDCFIIN-MRXNPFEDSA-N 2 1 285.435 3.221 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463498 287131539 /nfs/dbraw/zinc/13/15/39/287131539.db2.gz XLMRVEDIVRJCOO-WMZOPIPTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463498 287131540 /nfs/dbraw/zinc/13/15/40/287131540.db2.gz XLMRVEDIVRJCOO-WMZOPIPTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000020827422 171274270 /nfs/dbraw/zinc/27/42/70/171274270.db2.gz SHNVSZJPJZPNNL-UHFFFAOYSA-N 2 1 293.414 3.170 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830182 419377276 /nfs/dbraw/zinc/37/72/76/419377276.db2.gz MTFXPGGLIJTKNF-YOEHRIQHSA-N 2 1 262.441 3.338 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000127784913 264269863 /nfs/dbraw/zinc/26/98/63/264269863.db2.gz QHASNGSXFLWSDG-ONEGZZNKSA-N 2 1 288.410 3.469 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463497 290221123 /nfs/dbraw/zinc/22/11/23/290221123.db2.gz XLMRVEDIVRJCOO-AEFFLSMTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463497 290221125 /nfs/dbraw/zinc/22/11/25/290221125.db2.gz XLMRVEDIVRJCOO-AEFFLSMTSA-N 2 1 297.446 3.427 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559845890 327264726 /nfs/dbraw/zinc/26/47/26/327264726.db2.gz XEGQQEJKYDJSSN-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559845890 327264727 /nfs/dbraw/zinc/26/47/27/327264727.db2.gz XEGQQEJKYDJSSN-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000174870677 329164228 /nfs/dbraw/zinc/16/42/28/329164228.db2.gz QFZQMJYJBNCKTM-INIZCTEOSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423100136 330170360 /nfs/dbraw/zinc/17/03/60/330170360.db2.gz GHOOWOLAHGBJGE-RBUKOAKNSA-N 2 1 294.398 3.486 20 30 CGEDMP C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423136659 330172077 /nfs/dbraw/zinc/17/20/77/330172077.db2.gz VNNVFXAIXVJDMA-OIISXLGYSA-N 2 1 271.408 3.152 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000537049247 330394839 /nfs/dbraw/zinc/39/48/39/330394839.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000537049247 330394840 /nfs/dbraw/zinc/39/48/40/330394840.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049247 330394841 /nfs/dbraw/zinc/39/48/41/330394841.db2.gz YGWRMGMJXCFIJR-NVXWUHKLSA-N 2 1 264.457 3.395 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1C=C ZINC000489430763 332051925 /nfs/dbraw/zinc/05/19/25/332051925.db2.gz DJKLKMXKANCBLZ-HDICACEKSA-N 2 1 292.467 3.084 20 30 CGEDMP C=C[C@H]1CCCC[N@H+]1CCOCC[NH+]1CCCC[C@H]1C=C ZINC000489430763 332051926 /nfs/dbraw/zinc/05/19/26/332051926.db2.gz DJKLKMXKANCBLZ-HDICACEKSA-N 2 1 292.467 3.084 20 30 CGEDMP C=C[C@H]1CCCC[N@@H+]1CCOCC[NH+]1CCCC[C@H]1C=C ZINC000489430763 332051928 /nfs/dbraw/zinc/05/19/28/332051928.db2.gz DJKLKMXKANCBLZ-HDICACEKSA-N 2 1 292.467 3.084 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902213979 621187219 /nfs/dbraw/zinc/18/72/19/621187219.db2.gz RPXZQQLNLIFWHE-UHFFFAOYSA-N 2 1 287.451 3.167 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376160 621721266 /nfs/dbraw/zinc/72/12/66/621721266.db2.gz AOXOOKWVMSTGGI-BPQIPLTHSA-N 2 1 287.451 3.409 20 30 CGEDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713595 621798281 /nfs/dbraw/zinc/79/82/81/621798281.db2.gz XBMWEVNTCXSJKZ-LSDHHAIUSA-N 2 1 263.429 3.052 20 30 CGEDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713595 621798287 /nfs/dbraw/zinc/79/82/87/621798287.db2.gz XBMWEVNTCXSJKZ-LSDHHAIUSA-N 2 1 263.429 3.052 20 30 CGEDMP C=CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1CCCCC1 ZINC000903892710 621827881 /nfs/dbraw/zinc/82/78/81/621827881.db2.gz LWSMIMUZONMSNA-ZDUSSCGKSA-N 2 1 260.372 3.037 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000795309449 629658013 /nfs/dbraw/zinc/65/80/13/629658013.db2.gz JPFDIRICFALPGO-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000795309449 629658017 /nfs/dbraw/zinc/65/80/17/629658017.db2.gz JPFDIRICFALPGO-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000795309449 629658021 /nfs/dbraw/zinc/65/80/21/629658021.db2.gz JPFDIRICFALPGO-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796856939 629849412 /nfs/dbraw/zinc/84/94/12/629849412.db2.gz OMSSDWKKDHMKCA-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP C#CCCCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000877528342 635073940 /nfs/dbraw/zinc/07/39/40/635073940.db2.gz XTIZECGWJSESLH-UHFFFAOYSA-N 2 1 261.413 3.097 20 30 CGEDMP C#CCCCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000877528342 635073946 /nfs/dbraw/zinc/07/39/46/635073946.db2.gz XTIZECGWJSESLH-UHFFFAOYSA-N 2 1 261.413 3.097 20 30 CGEDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000886663386 637638316 /nfs/dbraw/zinc/63/83/16/637638316.db2.gz ZKJKRSXBCMSBMS-UHFFFAOYSA-N 2 1 294.402 3.278 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000859213419 639110744 /nfs/dbraw/zinc/11/07/44/639110744.db2.gz WWVZLABUGZNHIP-UHFFFAOYSA-N 2 1 273.424 3.120 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC001162680324 806646521 /nfs/dbraw/zinc/64/65/21/806646521.db2.gz JDHWBHCAJBUIIO-OLMNPRSZSA-N 2 1 285.435 3.172 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000380845654 799367340 /nfs/dbraw/zinc/36/73/40/799367340.db2.gz QTBNBZRCHIUNDB-CQSZACIVSA-N 2 1 276.449 3.014 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000380845654 799367344 /nfs/dbraw/zinc/36/73/44/799367344.db2.gz QTBNBZRCHIUNDB-CQSZACIVSA-N 2 1 276.449 3.014 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000385897581 799429233 /nfs/dbraw/zinc/42/92/33/799429233.db2.gz FLDNRGXBRVPKIG-ARFHVFGLSA-N 2 1 252.446 3.277 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000392812976 799483264 /nfs/dbraw/zinc/48/32/64/799483264.db2.gz NKGFAYJBHZXBAK-MRXNPFEDSA-N 2 1 280.415 3.446 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000392812976 799483267 /nfs/dbraw/zinc/48/32/67/799483267.db2.gz NKGFAYJBHZXBAK-MRXNPFEDSA-N 2 1 280.415 3.446 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001255940796 806790069 /nfs/dbraw/zinc/79/00/69/806790069.db2.gz GSPMCJYUNHTYDO-HUUCEWRRSA-N 2 1 273.424 3.329 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001245981093 804094361 /nfs/dbraw/zinc/09/43/61/804094361.db2.gz FSAHRENFFYDNSA-BRWVUGGUSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001246034150 804102458 /nfs/dbraw/zinc/10/24/58/804102458.db2.gz MWRANMCVZFUGGL-BBWFWOEESA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH+]1CC(C)(C[NH3+])C1 ZINC001246036245 804102509 /nfs/dbraw/zinc/10/25/09/804102509.db2.gz SDCDNXVGAHQAOL-INIZCTEOSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246060806 804104571 /nfs/dbraw/zinc/10/45/71/804104571.db2.gz DTXRYWRYGYJWRI-INIZCTEOSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135993 804160064 /nfs/dbraw/zinc/16/00/64/804160064.db2.gz UGHJOIKELUPJCU-JYJNAYRXSA-N 2 1 252.446 3.467 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246238159 804230657 /nfs/dbraw/zinc/23/06/57/804230657.db2.gz FLDVZVFWCQLCPR-CABCVRRESA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242555 804233202 /nfs/dbraw/zinc/23/32/02/804233202.db2.gz YYDMKOUSFQAQCC-LSDHHAIUSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246292914 804261521 /nfs/dbraw/zinc/26/15/21/804261521.db2.gz WRMJTQNKUKGGLT-DLBZAZTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246493252 804358550 /nfs/dbraw/zinc/35/85/50/804358550.db2.gz YMFQEPXMGIYJNU-QZTJIDSGSA-N 2 1 297.531 3.447 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246501856 804364442 /nfs/dbraw/zinc/36/44/42/804364442.db2.gz DZHGGLLUVJMHAZ-QKPAOTATSA-N 2 1 252.446 3.323 20 30 CGEDMP CCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623793 804455671 /nfs/dbraw/zinc/45/56/71/804455671.db2.gz LBRSGXQZBKLBLS-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001256960116 807015824 /nfs/dbraw/zinc/01/58/24/807015824.db2.gz HIAOUVAGZKYEQF-VJFUWPCTSA-N 2 1 289.467 3.313 20 30 CGEDMP N#CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001256960116 807015834 /nfs/dbraw/zinc/01/58/34/807015834.db2.gz HIAOUVAGZKYEQF-VJFUWPCTSA-N 2 1 289.467 3.313 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947112 804613971 /nfs/dbraw/zinc/61/39/71/804613971.db2.gz VKNJLYLXKGUYFW-LSDHHAIUSA-N 2 1 258.425 3.498 20 30 CGEDMP C#Cc1ccc(C[N@H+](C)C2CC[NH+](CCCC)CC2)cc1 ZINC001144581509 805010753 /nfs/dbraw/zinc/01/07/53/805010753.db2.gz TYYDYBXITJLWBM-UHFFFAOYSA-N 2 1 284.447 3.364 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001257209937 807060431 /nfs/dbraw/zinc/06/04/31/807060431.db2.gz CYQXYXNJRDKXLK-GOSISDBHSA-N 2 1 283.419 3.008 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)C[C@H](C1)C2 ZINC001257895002 807244744 /nfs/dbraw/zinc/24/47/44/807244744.db2.gz HDUMULOTFLGLKP-YUGHNKOSSA-N 2 1 274.452 3.005 20 30 CGEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167979290 807291076 /nfs/dbraw/zinc/29/10/76/807291076.db2.gz ZPFYVJRJWUVSRK-AYHJJNSGSA-N 2 1 286.463 3.318 20 30 CGEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001258717477 807567389 /nfs/dbraw/zinc/56/73/89/807567389.db2.gz OQAXSTCPLJJNND-XHSDSOJGSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258732927 807579129 /nfs/dbraw/zinc/57/91/29/807579129.db2.gz FBSWYKMYUFAAOE-QRQLOZEOSA-N 2 1 284.447 3.405 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258732927 807579132 /nfs/dbraw/zinc/57/91/32/807579132.db2.gz FBSWYKMYUFAAOE-QRQLOZEOSA-N 2 1 284.447 3.405 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147064 807591852 /nfs/dbraw/zinc/59/18/52/807591852.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147064 807591858 /nfs/dbraw/zinc/59/18/58/807591858.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147064 807591865 /nfs/dbraw/zinc/59/18/65/807591865.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147064 807591868 /nfs/dbraw/zinc/59/18/68/807591868.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]C#C[Si](C)(C)C)CC1(C)C ZINC001170450886 807846170 /nfs/dbraw/zinc/84/61/70/807846170.db2.gz MMRYYXCMJIURLI-UHFFFAOYSA-N 2 1 266.505 3.066 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001171202245 808009239 /nfs/dbraw/zinc/00/92/39/808009239.db2.gz YJCFYZHOEDVWMY-IRXDYDNUSA-N 2 1 299.462 3.330 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172299535 808219711 /nfs/dbraw/zinc/21/97/11/808219711.db2.gz LDNGJXUBHZJRAD-MAUKXSAKSA-N 2 1 297.446 3.096 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172299535 808219714 /nfs/dbraw/zinc/21/97/14/808219714.db2.gz LDNGJXUBHZJRAD-MAUKXSAKSA-N 2 1 297.446 3.096 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172479159 808343832 /nfs/dbraw/zinc/34/38/32/808343832.db2.gz HAXOLXYZKSDCMI-XHSDSOJGSA-N 2 1 265.445 3.026 20 30 CGEDMP CCC[NH+](CCC)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173326248 808612777 /nfs/dbraw/zinc/61/27/77/808612777.db2.gz VJBNIXKFQKEKQT-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1C[NH3+] ZINC001205626669 813031430 /nfs/dbraw/zinc/03/14/30/813031430.db2.gz HWMIAPDHVAWGJZ-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@H]1C[NH3+] ZINC001205626671 813031713 /nfs/dbraw/zinc/03/17/13/813031713.db2.gz HWMIAPDHVAWGJZ-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664523 813046064 /nfs/dbraw/zinc/04/60/64/813046064.db2.gz NTLATHRAQRTIIN-QGZVFWFLSA-N 2 1 284.488 3.303 20 30 CGEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001208607380 813774211 /nfs/dbraw/zinc/77/42/11/813774211.db2.gz MUKREDNOKJXHKP-QGZVFWFLSA-N 2 1 297.446 3.079 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001222140948 816358524 /nfs/dbraw/zinc/35/85/24/816358524.db2.gz AIUVDQMEWKTJOZ-MSOLQXFVSA-N 2 1 274.452 3.365 20 30 CGEDMP C#Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168162 816368056 /nfs/dbraw/zinc/36/80/56/816368056.db2.gz WFFFDUGUVRVBDK-FQEVSTJZSA-N 2 1 296.458 3.414 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235009449 818979110 /nfs/dbraw/zinc/97/91/10/818979110.db2.gz ZYNSWLYGTCJGAW-SFHVURJKSA-N 2 1 294.483 3.215 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124322 819012045 /nfs/dbraw/zinc/01/20/45/819012045.db2.gz MPFMPZQXZXPKMM-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235124322 819012047 /nfs/dbraw/zinc/01/20/47/819012047.db2.gz MPFMPZQXZXPKMM-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP CCCCCCC[N@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235660529 819131746 /nfs/dbraw/zinc/13/17/46/819131746.db2.gz FZPMEBZXQITPKN-HNNXBMFYSA-N 2 1 270.461 3.393 20 30 CGEDMP CCCCCCC[N@@H+](CC)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235660529 819131748 /nfs/dbraw/zinc/13/17/48/819131748.db2.gz FZPMEBZXQITPKN-HNNXBMFYSA-N 2 1 270.461 3.393 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929530 819227123 /nfs/dbraw/zinc/22/71/23/819227123.db2.gz QZEHTSJQXKPIPQ-IRXDYDNUSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981089 819256632 /nfs/dbraw/zinc/25/66/32/819256632.db2.gz UKIBBLQVMZNSAA-JKSUJKDBSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236015530 819275660 /nfs/dbraw/zinc/27/56/60/819275660.db2.gz MDOQRFNPQGXRRC-HZPDHXFCSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236015530 819275664 /nfs/dbraw/zinc/27/56/64/819275664.db2.gz MDOQRFNPQGXRRC-HZPDHXFCSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CC[N@@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434751 819478519 /nfs/dbraw/zinc/47/85/19/819478519.db2.gz WMJSZXQFOYFJMX-HIFRSBDPSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434751 819478526 /nfs/dbraw/zinc/47/85/26/819478526.db2.gz WMJSZXQFOYFJMX-HIFRSBDPSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](CC)CC1 ZINC001461987319 937610851 /nfs/dbraw/zinc/61/08/51/937610851.db2.gz OMZZIFAYIBNPLF-UHFFFAOYSA-N 2 1 297.446 3.278 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001560153369 938245090 /nfs/dbraw/zinc/24/50/90/938245090.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560153369 938245091 /nfs/dbraw/zinc/24/50/91/938245091.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001560153369 938245092 /nfs/dbraw/zinc/24/50/92/938245092.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 2 1 297.446 3.133 20 30 CGEDMP Cc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1C#N ZINC001579691306 962656888 /nfs/dbraw/zinc/65/68/88/962656888.db2.gz VOWXZDPLVDLIAC-UHFFFAOYSA-N 2 1 285.435 3.208 20 30 CGEDMP N#CC1(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC001580039033 962686984 /nfs/dbraw/zinc/68/69/84/962686984.db2.gz YITQRQLWILBMPC-DLBZAZTESA-N 2 1 289.467 3.315 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000390808339 346574485 /nfs/dbraw/zinc/57/44/85/346574485.db2.gz OGNGSEFGTBHYJC-GUDVDZBRSA-N 2 1 284.447 3.453 20 30 CGEDMP N#Cc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517216 347186441 /nfs/dbraw/zinc/18/64/41/347186441.db2.gz IHJLMYJJLISFPQ-QZTJIDSGSA-N 2 1 295.430 3.154 20 30 CGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594917924 347228783 /nfs/dbraw/zinc/22/87/83/347228783.db2.gz LWGOAPGHZNPVMQ-UHFFFAOYSA-N 2 1 297.446 3.206 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595307868 347290195 /nfs/dbraw/zinc/29/01/95/347290195.db2.gz MVZAINXVSVXLPK-UHFFFAOYSA-N 2 1 299.462 3.153 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000599303354 347733671 /nfs/dbraw/zinc/73/36/71/347733671.db2.gz BKAIBVRUFXQJGQ-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000599303354 347733673 /nfs/dbraw/zinc/73/36/73/347733673.db2.gz BKAIBVRUFXQJGQ-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000599303354 347733676 /nfs/dbraw/zinc/73/36/76/347733676.db2.gz BKAIBVRUFXQJGQ-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000599303354 347733679 /nfs/dbraw/zinc/73/36/79/347733679.db2.gz BKAIBVRUFXQJGQ-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602515050 347974258 /nfs/dbraw/zinc/97/42/58/347974258.db2.gz SQGGNNFOIZPEGS-PREGVCBESA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602572750 347985950 /nfs/dbraw/zinc/98/59/50/347985950.db2.gz MAQKKCNPEKTGGW-SJORKVTESA-N 2 1 287.451 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590229 347990318 /nfs/dbraw/zinc/99/03/18/347990318.db2.gz YDLXLBIUVYYMNJ-LMMKCTJWSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602595899 347991007 /nfs/dbraw/zinc/99/10/07/347991007.db2.gz GDYZVLIBVJVPSC-ORBLRFAASA-N 2 1 289.467 3.311 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121044 349978943 /nfs/dbraw/zinc/97/89/43/349978943.db2.gz MNMZJHAEICUMGU-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP N#CCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000602772652 348026577 /nfs/dbraw/zinc/02/65/77/348026577.db2.gz MKBGQNMBOJMZLO-QGZVFWFLSA-N 2 1 289.467 3.268 20 30 CGEDMP N#CCC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000602772652 348026579 /nfs/dbraw/zinc/02/65/79/348026579.db2.gz MKBGQNMBOJMZLO-QGZVFWFLSA-N 2 1 289.467 3.268 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619672598 349269177 /nfs/dbraw/zinc/26/91/77/349269177.db2.gz KRJQPYXKJBPURQ-CEXWTWQISA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000152987224 188058136 /nfs/dbraw/zinc/05/81/36/188058136.db2.gz YZOWKYZVIIKACQ-OAHLLOKOSA-N 2 1 276.424 3.231 20 30 CGEDMP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103714 189346628 /nfs/dbraw/zinc/34/66/28/189346628.db2.gz HEVIFHPXPVFQMY-QAPCUYQASA-N 2 1 297.446 3.301 20 30 CGEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100444 189347004 /nfs/dbraw/zinc/34/70/04/189347004.db2.gz SDNDBMDEEYEZDF-CRAIPNDOSA-N 2 1 297.446 3.301 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275780526 193125718 /nfs/dbraw/zinc/12/57/18/193125718.db2.gz WDBFSKUISXRMCB-RDJZCZTQSA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275780526 193125720 /nfs/dbraw/zinc/12/57/20/193125720.db2.gz WDBFSKUISXRMCB-RDJZCZTQSA-N 2 1 258.409 3.205 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@H+](CCC#N)CCC(C)C ZINC000125541431 370937755 /nfs/dbraw/zinc/93/77/55/370937755.db2.gz AIDCCFFZNRPOBZ-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@@H+](CCC#N)CCC(C)C ZINC000125541431 370937763 /nfs/dbraw/zinc/93/77/63/370937763.db2.gz AIDCCFFZNRPOBZ-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP C[NH+](CCCC(C)(C)C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000174877300 261201229 /nfs/dbraw/zinc/20/12/29/261201229.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CCCC(C)(C)C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000174877300 261201230 /nfs/dbraw/zinc/20/12/30/261201230.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP N#CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229113 370320827 /nfs/dbraw/zinc/32/08/27/370320827.db2.gz YSVHXLQCXHWESW-KRWDZBQOSA-N 2 1 277.456 3.268 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361459628 261278488 /nfs/dbraw/zinc/27/84/88/261278488.db2.gz NNTXRFVWSGJVOY-IXDOHACOSA-N 2 1 277.456 3.313 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423203294 372026972 /nfs/dbraw/zinc/02/69/72/372026972.db2.gz SJFJDNHOTUCHOA-KRWDZBQOSA-N 2 1 283.419 3.187 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177629 /nfs/dbraw/zinc/17/76/29/217177629.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177631 /nfs/dbraw/zinc/17/76/31/217177631.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177632 /nfs/dbraw/zinc/17/76/32/217177632.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177634 /nfs/dbraw/zinc/17/76/34/217177634.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP C=CCOc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435386106 372756707 /nfs/dbraw/zinc/75/67/07/372756707.db2.gz SUFDVBNSGVODKU-KRWDZBQOSA-N 2 1 288.435 3.215 20 30 CGEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174312990 373288369 /nfs/dbraw/zinc/28/83/69/373288369.db2.gz DEGMBBDXYUCDEB-UHFFFAOYSA-N 2 1 297.402 3.281 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174312990 373288379 /nfs/dbraw/zinc/28/83/79/373288379.db2.gz DEGMBBDXYUCDEB-UHFFFAOYSA-N 2 1 297.402 3.281 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449215444 373673362 /nfs/dbraw/zinc/67/33/62/373673362.db2.gz YFEZYOHQCUFXRZ-AOCRQIFASA-N 2 1 291.483 3.416 20 30 CGEDMP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450693135 374172771 /nfs/dbraw/zinc/17/27/71/374172771.db2.gz CXNSHFPSEBJQMQ-SJLPKXTDSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693135 374172776 /nfs/dbraw/zinc/17/27/76/374172776.db2.gz CXNSHFPSEBJQMQ-SJLPKXTDSA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187978008 375129760 /nfs/dbraw/zinc/12/97/60/375129760.db2.gz KSBMKVRWQMJWDA-OAHLLOKOSA-N 2 1 290.426 3.387 20 30 CGEDMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]CCC#N)cc1 ZINC000569110563 377526532 /nfs/dbraw/zinc/52/65/32/377526532.db2.gz IINDGYWBOPNLIS-UHFFFAOYSA-N 2 1 293.414 3.418 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000181525581 542219236 /nfs/dbraw/zinc/21/92/36/542219236.db2.gz MEFHJGHIAOGHDP-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343322611 377953352 /nfs/dbraw/zinc/95/33/52/377953352.db2.gz RFXLDDNBLOXQAB-UHFFFAOYSA-N 2 1 297.446 3.134 20 30 CGEDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000271919641 378517983 /nfs/dbraw/zinc/51/79/83/378517983.db2.gz DJCXKNCSRXTTLA-RCBQFDQVSA-N 2 1 289.398 3.221 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274861706 378908796 /nfs/dbraw/zinc/90/87/96/378908796.db2.gz ULSLUSYGDNMWGU-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274861706 378908804 /nfs/dbraw/zinc/90/88/04/378908804.db2.gz ULSLUSYGDNMWGU-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894595 379346827 /nfs/dbraw/zinc/34/68/27/379346827.db2.gz XMSIHABTZRSGJN-NUJGCVRESA-N 2 1 289.467 3.455 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414296153 380207509 /nfs/dbraw/zinc/20/75/09/380207509.db2.gz FYHMYVMXBBOVIV-KBAYOESNSA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414296153 380207518 /nfs/dbraw/zinc/20/75/18/380207518.db2.gz FYHMYVMXBBOVIV-KBAYOESNSA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414309710 380211405 /nfs/dbraw/zinc/21/14/05/380211405.db2.gz YLTSFDCTAZYZRF-SFHVURJKSA-N 2 1 284.447 3.390 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000105449240 392288848 /nfs/dbraw/zinc/28/88/48/392288848.db2.gz HQUDJUWMJUYPMW-UHFFFAOYSA-N 2 1 293.414 3.300 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000285786816 392331256 /nfs/dbraw/zinc/33/12/56/392331256.db2.gz UMEOOKNDNHBEFP-OAHLLOKOSA-N 2 1 262.397 3.362 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522642 /nfs/dbraw/zinc/52/26/42/393522642.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522648 /nfs/dbraw/zinc/52/26/48/393522648.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522650 /nfs/dbraw/zinc/52/26/50/393522650.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522654 /nfs/dbraw/zinc/52/26/54/393522654.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723140 543181127 /nfs/dbraw/zinc/18/11/27/543181127.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723140 543181129 /nfs/dbraw/zinc/18/11/29/543181129.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723140 543181130 /nfs/dbraw/zinc/18/11/30/543181130.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723140 543181132 /nfs/dbraw/zinc/18/11/32/543181132.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000675828726 543367413 /nfs/dbraw/zinc/36/74/13/543367413.db2.gz ZRJNMJUCOHWNOZ-CQSZACIVSA-N 2 1 278.465 3.309 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357478 260129050 /nfs/dbraw/zinc/12/90/50/260129050.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357478 260129051 /nfs/dbraw/zinc/12/90/51/260129051.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363357478 260129052 /nfs/dbraw/zinc/12/90/52/260129052.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357478 260129053 /nfs/dbraw/zinc/12/90/53/260129053.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 2 1 297.446 3.278 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298605090 260159258 /nfs/dbraw/zinc/15/92/58/260159258.db2.gz ZKWRZOGEWYQYKR-UHFFFAOYSA-N 2 1 278.827 3.123 20 30 CGEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187827 261181378 /nfs/dbraw/zinc/18/13/78/261181378.db2.gz HOXCHZMKYFFQOR-HZPDHXFCSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187827 261181380 /nfs/dbraw/zinc/18/13/80/261181380.db2.gz HOXCHZMKYFFQOR-HZPDHXFCSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187827 261181381 /nfs/dbraw/zinc/18/13/81/261181381.db2.gz HOXCHZMKYFFQOR-HZPDHXFCSA-N 2 1 277.456 3.123 20 30 CGEDMP C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1CCCC[NH+]1C ZINC000174877300 261201227 /nfs/dbraw/zinc/20/12/27/261201227.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(C)(C)C#N ZINC000277329098 263040646 /nfs/dbraw/zinc/04/06/46/263040646.db2.gz VLLHOUNMEMGINM-UHFFFAOYSA-N 2 1 276.428 3.097 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(C)(C)C#N ZINC000277329098 263040647 /nfs/dbraw/zinc/04/06/47/263040647.db2.gz VLLHOUNMEMGINM-UHFFFAOYSA-N 2 1 276.428 3.097 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCCC1 ZINC000453385602 263257796 /nfs/dbraw/zinc/25/77/96/263257796.db2.gz UVBJISRDNHXCME-HUUCEWRRSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000253355323 264332328 /nfs/dbraw/zinc/33/23/28/264332328.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000253355323 264332330 /nfs/dbraw/zinc/33/23/30/264332330.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000253355323 264332333 /nfs/dbraw/zinc/33/23/33/264332333.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000152966521 273483365 /nfs/dbraw/zinc/48/33/65/273483365.db2.gz UUROBAIFCCTSGA-SFHVURJKSA-N 2 1 270.420 3.304 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187703366 276109475 /nfs/dbraw/zinc/10/94/75/276109475.db2.gz RKPWZXSXALWVEE-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187703366 276109476 /nfs/dbraw/zinc/10/94/76/276109476.db2.gz RKPWZXSXALWVEE-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083554 /nfs/dbraw/zinc/08/35/54/277083554.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083555 /nfs/dbraw/zinc/08/35/55/277083555.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@H]21 ZINC000334557470 277083556 /nfs/dbraw/zinc/08/35/56/277083556.db2.gz HILARIDLGOBJJP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158698198 290220884 /nfs/dbraw/zinc/22/08/84/290220884.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158698198 290220889 /nfs/dbraw/zinc/22/08/89/290220889.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158698198 290220892 /nfs/dbraw/zinc/22/08/92/290220892.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 2 1 283.419 3.035 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423317836 330190056 /nfs/dbraw/zinc/19/00/56/330190056.db2.gz BBMVXPIIYQYTIO-BMGDILEWSA-N 2 1 288.435 3.085 20 30 CGEDMP C=C(C)COCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090450994 330392470 /nfs/dbraw/zinc/39/24/70/330392470.db2.gz DCKJHEVLSQBERA-HNNXBMFYSA-N 2 1 299.418 3.424 20 30 CGEDMP C=C(C)COCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090450993 330392587 /nfs/dbraw/zinc/39/25/87/330392587.db2.gz DCKJHEVLSQBERA-OAHLLOKOSA-N 2 1 299.418 3.424 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000552048507 334281475 /nfs/dbraw/zinc/28/14/75/334281475.db2.gz VOMRHYJFYRNZDL-CVEARBPZSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CSCCC)CC1 ZINC000892881575 618947650 /nfs/dbraw/zinc/94/76/50/618947650.db2.gz YGSCMIOWZCMLHR-CQSZACIVSA-N 2 1 270.486 3.148 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CCC1 ZINC000903752064 621800196 /nfs/dbraw/zinc/80/01/96/621800196.db2.gz QMFYJUMBWBQDDP-SJORKVTESA-N 2 1 289.467 3.315 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CCC1 ZINC000903752063 621800322 /nfs/dbraw/zinc/80/03/22/621800322.db2.gz QMFYJUMBWBQDDP-IRXDYDNUSA-N 2 1 289.467 3.315 20 30 CGEDMP N#CC1(CCCC[N@@H+]2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000903775596 621805541 /nfs/dbraw/zinc/80/55/41/621805541.db2.gz MQBNFZGENGYDFL-HNNXBMFYSA-N 2 1 263.429 3.054 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1csc(C#N)c1 ZINC000921537734 625653699 /nfs/dbraw/zinc/65/36/99/625653699.db2.gz YULSWSOLYOWPHU-CQSZACIVSA-N 2 1 291.464 3.364 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1csc(C#N)c1 ZINC000921537732 625654060 /nfs/dbraw/zinc/65/40/60/625654060.db2.gz YULSWSOLYOWPHU-AWEZNQCLSA-N 2 1 291.464 3.364 20 30 CGEDMP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000872102433 634022288 /nfs/dbraw/zinc/02/22/88/634022288.db2.gz QLJMZXHYNWKZHS-HOTGVXAUSA-N 2 1 275.440 3.019 20 30 CGEDMP C#CCCCCCC[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000877009598 634949191 /nfs/dbraw/zinc/94/91/91/634949191.db2.gz TXULHQPDOOJXCJ-UHFFFAOYSA-N 2 1 262.441 3.200 20 30 CGEDMP C=CC[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527922 635545058 /nfs/dbraw/zinc/54/50/58/635545058.db2.gz IWIMNGLWGAASGX-AWEZNQCLSA-N 2 1 273.424 3.363 20 30 CGEDMP C#CCCCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659867 637637233 /nfs/dbraw/zinc/63/72/33/637637233.db2.gz XMSDRFSCQKKOME-UHFFFAOYSA-N 2 1 273.424 3.400 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000929689919 638941584 /nfs/dbraw/zinc/94/15/84/638941584.db2.gz JDJGRPKJTFOWEE-ABHNRTSZSA-N 2 1 289.467 3.267 20 30 CGEDMP C=C(Cl)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995322 639264792 /nfs/dbraw/zinc/26/47/92/639264792.db2.gz PATAJHMQSOYUQV-UHFFFAOYSA-N 2 1 266.816 3.323 20 30 CGEDMP C=C(Cl)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995322 639264795 /nfs/dbraw/zinc/26/47/95/639264795.db2.gz PATAJHMQSOYUQV-UHFFFAOYSA-N 2 1 266.816 3.323 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774270 639488562 /nfs/dbraw/zinc/48/85/62/639488562.db2.gz MUNVVMTXNPDQMU-UHFFFAOYSA-N 2 1 288.420 3.037 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774270 639488567 /nfs/dbraw/zinc/48/85/67/639488567.db2.gz MUNVVMTXNPDQMU-UHFFFAOYSA-N 2 1 288.420 3.037 20 30 CGEDMP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1CC#N ZINC001156924893 805752605 /nfs/dbraw/zinc/75/26/05/805752605.db2.gz AMEQTCHYVBPYDI-CQSZACIVSA-N 2 1 286.423 3.133 20 30 CGEDMP Cc1[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)ccc1CC#N ZINC001156924893 805752609 /nfs/dbraw/zinc/75/26/09/805752609.db2.gz AMEQTCHYVBPYDI-CQSZACIVSA-N 2 1 286.423 3.133 20 30 CGEDMP Cc1[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)ccc1CC#N ZINC001156924893 805752611 /nfs/dbraw/zinc/75/26/11/805752611.db2.gz AMEQTCHYVBPYDI-CQSZACIVSA-N 2 1 286.423 3.133 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001253240085 806189654 /nfs/dbraw/zinc/18/96/54/806189654.db2.gz YQUDBTGPLQXPEZ-GOSISDBHSA-N 2 1 296.499 3.148 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001254660332 806477781 /nfs/dbraw/zinc/47/77/81/806477781.db2.gz XHEAWTWEWUCLIY-IAGOWNOFSA-N 2 1 287.451 3.019 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660332 806477785 /nfs/dbraw/zinc/47/77/85/806477785.db2.gz XHEAWTWEWUCLIY-IAGOWNOFSA-N 2 1 287.451 3.019 20 30 CGEDMP C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677235 806485163 /nfs/dbraw/zinc/48/51/63/806485163.db2.gz RKSBJUAQXQZUFS-CRAIPNDOSA-N 2 1 289.467 3.408 20 30 CGEDMP CC[C@H](CC#N)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162234 806561625 /nfs/dbraw/zinc/56/16/25/806561625.db2.gz KVMPTCVRDTUTEC-RBSFLKMASA-N 2 1 265.445 3.297 20 30 CGEDMP CC(C)(S)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389771 806633727 /nfs/dbraw/zinc/63/37/27/806633727.db2.gz SQFAYBYGKRBGCM-MRXNPFEDSA-N 2 1 292.492 3.339 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000327968724 799248623 /nfs/dbraw/zinc/24/86/23/799248623.db2.gz FMNYDAJTCDYMFN-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000327968724 799248627 /nfs/dbraw/zinc/24/86/27/799248627.db2.gz FMNYDAJTCDYMFN-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCCNCc1cc(Cl)cc(Cl)c1 ZINC000328104946 799250466 /nfs/dbraw/zinc/25/04/66/799250466.db2.gz MHJGTYGVDCBXKO-UHFFFAOYSA-N 2 1 285.218 3.038 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000328104946 799250472 /nfs/dbraw/zinc/25/04/72/799250472.db2.gz MHJGTYGVDCBXKO-UHFFFAOYSA-N 2 1 285.218 3.038 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000328104946 799250476 /nfs/dbraw/zinc/25/04/76/799250476.db2.gz MHJGTYGVDCBXKO-UHFFFAOYSA-N 2 1 285.218 3.038 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703629376 799926889 /nfs/dbraw/zinc/92/68/89/799926889.db2.gz DYKOIJNICYCTEQ-MGNMYUMUSA-N 2 1 262.441 3.195 20 30 CGEDMP C#CC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256560189 806916608 /nfs/dbraw/zinc/91/66/08/806916608.db2.gz PSSSXTYISZRGTB-YLJYHZDGSA-N 2 1 296.458 3.385 20 30 CGEDMP C#CC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256560189 806916610 /nfs/dbraw/zinc/91/66/10/806916610.db2.gz PSSSXTYISZRGTB-YLJYHZDGSA-N 2 1 296.458 3.385 20 30 CGEDMP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001256615898 806926412 /nfs/dbraw/zinc/92/64/12/806926412.db2.gz CHBAGTGHBLDYBX-XVLXNVKGSA-N 2 1 297.446 3.470 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001138547140 803964199 /nfs/dbraw/zinc/96/41/99/803964199.db2.gz FXCGFPKDZQOCHK-MRXNPFEDSA-N 2 1 294.402 3.306 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001138547140 803964207 /nfs/dbraw/zinc/96/42/07/803964207.db2.gz FXCGFPKDZQOCHK-MRXNPFEDSA-N 2 1 294.402 3.306 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246013340 804098561 /nfs/dbraw/zinc/09/85/61/804098561.db2.gz FQOLQYMFTJKTLH-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246013340 804098571 /nfs/dbraw/zinc/09/85/71/804098571.db2.gz FQOLQYMFTJKTLH-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001246057731 804104119 /nfs/dbraw/zinc/10/41/19/804104119.db2.gz GMBWPWWEEJDJED-IAGOWNOFSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246241605 804233830 /nfs/dbraw/zinc/23/38/30/804233830.db2.gz TVBBWFOVAGKVGF-HUUCEWRRSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246289042 804259704 /nfs/dbraw/zinc/25/97/04/804259704.db2.gz OCBMZJMIWBSQMK-DLBZAZTESA-N 2 1 284.488 3.220 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCCC(C)C ZINC001246302768 804268361 /nfs/dbraw/zinc/26/83/61/804268361.db2.gz FGJRTFKBUHNIBK-HOTGVXAUSA-N 2 1 298.471 3.018 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](CCC)CCCC ZINC001246314667 804275032 /nfs/dbraw/zinc/27/50/32/804275032.db2.gz YUIMICREZCRIMY-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246321062 804281140 /nfs/dbraw/zinc/28/11/40/804281140.db2.gz AZBSNMZNIMEWHG-JZWPEALZSA-N 2 1 286.419 3.185 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535958 804385685 /nfs/dbraw/zinc/38/56/85/804385685.db2.gz QWWOUYNJCYDQPV-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567953 804415309 /nfs/dbraw/zinc/41/53/09/804415309.db2.gz NGWZSTKBQUIPTP-GVDBMIGSSA-N 2 1 284.488 3.300 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246635588 804465607 /nfs/dbraw/zinc/46/56/07/804465607.db2.gz DGVCTPKMCUUDTN-CSODTCANSA-N 2 1 295.430 3.021 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642133 804469194 /nfs/dbraw/zinc/46/91/94/804469194.db2.gz LKWOZXHKPWZJEM-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)C[C@H](C1)C2 ZINC001246697168 804499035 /nfs/dbraw/zinc/49/90/35/804499035.db2.gz WEPQFDNNGFWIHR-ZFHLEULCSA-N 2 1 292.442 3.145 20 30 CGEDMP C[NH2+]CC[C@@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001246769360 804502377 /nfs/dbraw/zinc/50/23/77/804502377.db2.gz JFGHOQZNCOIFBU-OAHLLOKOSA-N 2 1 265.445 3.313 20 30 CGEDMP C[NH2+]CC[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001246769360 804502383 /nfs/dbraw/zinc/50/23/83/804502383.db2.gz JFGHOQZNCOIFBU-OAHLLOKOSA-N 2 1 265.445 3.313 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838169 804545895 /nfs/dbraw/zinc/54/58/95/804545895.db2.gz UEFMJCQJMJUUGO-SOUVJXGZSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838169 804545904 /nfs/dbraw/zinc/54/59/04/804545904.db2.gz UEFMJCQJMJUUGO-SOUVJXGZSA-N 2 1 258.425 3.497 20 30 CGEDMP C=CC[N@@H+]([C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246918940 804600945 /nfs/dbraw/zinc/60/09/45/804600945.db2.gz HWXUFBAHODQUGK-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)C[C@H](C1)C2 ZINC001247014424 804643523 /nfs/dbraw/zinc/64/35/23/804643523.db2.gz KBUCOIGOYFNSRP-VTEPJNGRSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)C[C@H](C1)C2 ZINC001247014424 804643525 /nfs/dbraw/zinc/64/35/25/804643525.db2.gz KBUCOIGOYFNSRP-VTEPJNGRSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+](C)CCC[NH+](C)C)C[C@H](C1)C2 ZINC001257889524 807239805 /nfs/dbraw/zinc/23/98/05/807239805.db2.gz CYHWRTULFHJXJW-XYPWUTKMSA-N 2 1 250.430 3.005 20 30 CGEDMP C=CCCCC[N@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168389609 807400842 /nfs/dbraw/zinc/40/08/42/807400842.db2.gz TUQOXGZANPBABZ-UHFFFAOYSA-N 2 1 250.430 3.149 20 30 CGEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121996 808182485 /nfs/dbraw/zinc/18/24/85/808182485.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121996 808182489 /nfs/dbraw/zinc/18/24/89/808182489.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121996 808182493 /nfs/dbraw/zinc/18/24/93/808182493.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172479683 808343368 /nfs/dbraw/zinc/34/33/68/808343368.db2.gz JKCSQYDMWYAGOR-FUHWJXTLSA-N 2 1 285.435 3.180 20 30 CGEDMP CCCCCCC[C@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172500647 808354580 /nfs/dbraw/zinc/35/45/80/808354580.db2.gz BSZWTXYDIZQTNG-CVEARBPZSA-N 2 1 295.471 3.447 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001172505927 808362057 /nfs/dbraw/zinc/36/20/57/808362057.db2.gz XLMILMNVMZCEDU-QGZVFWFLSA-N 2 1 286.504 3.419 20 30 CGEDMP N#CCC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001173332324 808616527 /nfs/dbraw/zinc/61/65/27/808616527.db2.gz LAVCSUUAFYIMBY-AQFXKWCLSA-N 2 1 277.456 3.300 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173591960 808648387 /nfs/dbraw/zinc/64/83/87/808648387.db2.gz AIWNDXRYGWLMQQ-ORBLRFAASA-N 2 1 277.456 3.167 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206022858 813169051 /nfs/dbraw/zinc/16/90/51/813169051.db2.gz DELQCMRJQPOOBW-SWLSCSKDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206303682 813280607 /nfs/dbraw/zinc/28/06/07/813280607.db2.gz FUEXFFQFFCYHJB-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP CCCCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206456383 813325679 /nfs/dbraw/zinc/32/56/79/813325679.db2.gz NEZOIRXJKDABQL-DLBZAZTESA-N 2 1 284.488 3.159 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206564441 813355354 /nfs/dbraw/zinc/35/53/54/813355354.db2.gz NQRLQMQGLFQZAV-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206615157 813376026 /nfs/dbraw/zinc/37/60/26/813376026.db2.gz DGWGIJMTJRONLP-MRXNPFEDSA-N 2 1 288.435 3.202 20 30 CGEDMP C=CC[NH+](CC=C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948579 813905935 /nfs/dbraw/zinc/90/59/35/813905935.db2.gz HAAVHFAWNNZTKE-SFHVURJKSA-N 2 1 270.420 3.183 20 30 CGEDMP C=CC[NH+](CC=C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948579 813905940 /nfs/dbraw/zinc/90/59/40/813905940.db2.gz HAAVHFAWNNZTKE-SFHVURJKSA-N 2 1 270.420 3.183 20 30 CGEDMP N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951316 813909048 /nfs/dbraw/zinc/90/90/48/813909048.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951316 813909059 /nfs/dbraw/zinc/90/90/59/813909059.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951316 813909063 /nfs/dbraw/zinc/90/90/63/813909063.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209157444 813950255 /nfs/dbraw/zinc/95/02/55/813950255.db2.gz CHSDVTJPUPVXDP-KDURUIRLSA-N 2 1 284.447 3.325 20 30 CGEDMP C=CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209157444 813950260 /nfs/dbraw/zinc/95/02/60/813950260.db2.gz CHSDVTJPUPVXDP-KDURUIRLSA-N 2 1 284.447 3.325 20 30 CGEDMP C=CCCCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209199749 813963472 /nfs/dbraw/zinc/96/34/72/813963472.db2.gz AJWIWXNEQJEBGB-HOTGVXAUSA-N 2 1 290.476 3.468 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001222140949 816358013 /nfs/dbraw/zinc/35/80/13/816358013.db2.gz AIUVDQMEWKTJOZ-QZTJIDSGSA-N 2 1 274.452 3.365 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222141725 816358414 /nfs/dbraw/zinc/35/84/14/816358414.db2.gz RFBNFOWMEVZTCX-MRXNPFEDSA-N 2 1 250.430 3.198 20 30 CGEDMP CCCCCCCCCCCN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234980821 818969597 /nfs/dbraw/zinc/96/95/97/818969597.db2.gz KSIJFRPGVUYYCN-SFHVURJKSA-N 2 1 295.515 3.155 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160758 819019554 /nfs/dbraw/zinc/01/95/54/819019554.db2.gz QOHOKPSLQAVQPM-LJQANCHMSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341489 819072125 /nfs/dbraw/zinc/07/21/25/819072125.db2.gz PTKAVLZTKTVWQN-HNNXBMFYSA-N 2 1 250.430 3.054 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235411030 819090107 /nfs/dbraw/zinc/09/01/07/819090107.db2.gz ZSFUCMXGXZDUCW-SQNIBIBYSA-N 2 1 292.442 3.313 20 30 CGEDMP CCCCCCC[N@@H+](CC)CC1(F)CC[NH2+]CC1 ZINC001235661858 819132128 /nfs/dbraw/zinc/13/21/28/819132128.db2.gz QDDCEDPOBFVEKC-UHFFFAOYSA-N 2 1 258.425 3.370 20 30 CGEDMP C#CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001352112813 937037049 /nfs/dbraw/zinc/03/70/49/937037049.db2.gz PCCNOQBFWOIWOR-KSZLIROESA-N 2 1 276.468 3.232 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)CCCC)C1 ZINC001308796359 933179516 /nfs/dbraw/zinc/17/95/16/933179516.db2.gz PNCDBAAVPGUPBI-OWCLPIDISA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)CCCC)C1 ZINC001308796359 933179512 /nfs/dbraw/zinc/17/95/12/933179512.db2.gz PNCDBAAVPGUPBI-OWCLPIDISA-N 2 1 252.446 3.441 20 30 CGEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1C#N ZINC001333840796 936071007 /nfs/dbraw/zinc/07/10/07/936071007.db2.gz IGEHGMWGPVJVMS-GBESFXJTSA-N 2 1 297.446 3.029 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001560155540 938245529 /nfs/dbraw/zinc/24/55/29/938245529.db2.gz OCSJSYSAHYBWDN-KRWDZBQOSA-N 2 1 285.435 3.176 20 30 CGEDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000414187795 529605828 /nfs/dbraw/zinc/60/58/28/529605828.db2.gz PYXFECSOVFRNDW-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561808 /nfs/dbraw/zinc/56/18/08/346561808.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561812 /nfs/dbraw/zinc/56/18/12/346561812.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561816 /nfs/dbraw/zinc/56/18/16/346561816.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561818 /nfs/dbraw/zinc/56/18/18/346561818.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514118 347184772 /nfs/dbraw/zinc/18/47/72/347184772.db2.gz PKQNLZVNQAGDJR-RHSMWYFYSA-N 2 1 285.435 3.060 20 30 CGEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596059502 347377989 /nfs/dbraw/zinc/37/79/89/347377989.db2.gz PETIVRDDJASZEF-AOCRQIFASA-N 2 1 289.467 3.170 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966448 347701662 /nfs/dbraw/zinc/70/16/62/347701662.db2.gz XLXPOSGMBHVZGW-BBRMVZONSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966448 347701665 /nfs/dbraw/zinc/70/16/65/347701665.db2.gz XLXPOSGMBHVZGW-BBRMVZONSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602529758 347976590 /nfs/dbraw/zinc/97/65/90/347976590.db2.gz OSVIKEWNRIEKKU-HRCADAONSA-N 2 1 279.472 3.272 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+]C2CCC(C#N)CC2)([NH+](C)C)C1 ZINC000602517716 347974244 /nfs/dbraw/zinc/97/42/44/347974244.db2.gz FAISYRBFSLTPEA-VXLLPVPCSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C#N)CC1 ZINC000602515625 347974349 /nfs/dbraw/zinc/97/43/49/347974349.db2.gz QVPRXMOLZRHBSE-GTPINHCMSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521154 347974789 /nfs/dbraw/zinc/97/47/89/347974789.db2.gz NGKREHFPBLQTDD-BKYIEACKSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602572749 347985726 /nfs/dbraw/zinc/98/57/26/347985726.db2.gz MAQKKCNPEKTGGW-IRXDYDNUSA-N 2 1 287.451 3.426 20 30 CGEDMP C[NH+]1CCC2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000602877993 348040284 /nfs/dbraw/zinc/04/02/84/348040284.db2.gz NQJLUTBYDSKWSN-UHFFFAOYSA-N 2 1 289.467 3.268 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1C#N ZINC000603111405 348060031 /nfs/dbraw/zinc/06/00/31/348060031.db2.gz QCFMDSFQWFICCY-UHFFFAOYSA-N 2 1 285.435 3.256 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271332787 191079595 /nfs/dbraw/zinc/07/95/95/191079595.db2.gz BIYNAVYXOYIXMB-HNNXBMFYSA-N 2 1 273.424 3.081 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2CC)CC1 ZINC000628212175 350442124 /nfs/dbraw/zinc/44/21/24/350442124.db2.gz QPMPTLAOLAHHKM-JKSUJKDBSA-N 2 1 264.457 3.443 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C#N)s1 ZINC000176948331 189016318 /nfs/dbraw/zinc/01/63/18/189016318.db2.gz WWETZAWGGSTEQO-CQSZACIVSA-N 2 1 291.464 3.364 20 30 CGEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000176980888 189018761 /nfs/dbraw/zinc/01/87/61/189018761.db2.gz BFLJIMPHXIMSAZ-UHFFFAOYSA-N 2 1 279.453 3.218 20 30 CGEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000127319694 370951168 /nfs/dbraw/zinc/95/11/68/370951168.db2.gz GIMDFDVGZUYAKX-UHFFFAOYSA-N 2 1 283.419 3.312 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000127319694 370951175 /nfs/dbraw/zinc/95/11/75/370951175.db2.gz GIMDFDVGZUYAKX-UHFFFAOYSA-N 2 1 283.419 3.312 20 30 CGEDMP C=CCSCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000230655519 189810598 /nfs/dbraw/zinc/81/05/98/189810598.db2.gz JJMNQUKUDBZPHE-UHFFFAOYSA-N 2 1 290.476 3.160 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000442690091 373065652 /nfs/dbraw/zinc/06/56/52/373065652.db2.gz VKAQRYUFQZZWEY-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000442690091 373065659 /nfs/dbraw/zinc/06/56/59/373065659.db2.gz VKAQRYUFQZZWEY-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000442690091 373065667 /nfs/dbraw/zinc/06/56/67/373065667.db2.gz VKAQRYUFQZZWEY-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690091 373065672 /nfs/dbraw/zinc/06/56/72/373065672.db2.gz VKAQRYUFQZZWEY-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764297 373076032 /nfs/dbraw/zinc/07/60/32/373076032.db2.gz HTTBNLGAQQWHPC-SQNIBIBYSA-N 2 1 289.467 3.313 20 30 CGEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174268211 373279956 /nfs/dbraw/zinc/27/99/56/373279956.db2.gz SGLVORSTFWAAAY-UHFFFAOYSA-N 2 1 297.402 3.281 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174268211 373279962 /nfs/dbraw/zinc/27/99/62/373279962.db2.gz SGLVORSTFWAAAY-UHFFFAOYSA-N 2 1 297.402 3.281 20 30 CGEDMP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185758914 374731751 /nfs/dbraw/zinc/73/17/51/374731751.db2.gz GEAHGBFCRODLRD-PKOBYXMFSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193132288 375830136 /nfs/dbraw/zinc/83/01/36/375830136.db2.gz JHHWPPAHNLNQOT-HOCLYGCPSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000194383732 375995078 /nfs/dbraw/zinc/99/50/78/375995078.db2.gz PAVOBVGUOSXJTB-MRXNPFEDSA-N 2 1 272.436 3.420 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194384002 375995941 /nfs/dbraw/zinc/99/59/41/375995941.db2.gz LEAAUXRYKOMUEG-MRXNPFEDSA-N 2 1 272.436 3.420 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000487298591 261686265 /nfs/dbraw/zinc/68/62/65/261686265.db2.gz KQIXUFKUQTVIJZ-DZGCQCFKSA-N 2 1 250.430 3.051 20 30 CGEDMP N#CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581980 377056003 /nfs/dbraw/zinc/05/60/03/377056003.db2.gz YSKCGWHQUKCFGC-BZSNNMDCSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581980 377056014 /nfs/dbraw/zinc/05/60/14/377056014.db2.gz YSKCGWHQUKCFGC-BZSNNMDCSA-N 2 1 283.419 3.248 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC2(C#N)CC2)CC1 ZINC000343320313 377951777 /nfs/dbraw/zinc/95/17/77/377951777.db2.gz LSVRHHBWLHNKJI-INIZCTEOSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343320313 377951785 /nfs/dbraw/zinc/95/17/85/377951785.db2.gz LSVRHHBWLHNKJI-INIZCTEOSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343320313 377951796 /nfs/dbraw/zinc/95/17/96/377951796.db2.gz LSVRHHBWLHNKJI-INIZCTEOSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000268957195 378162141 /nfs/dbraw/zinc/16/21/41/378162141.db2.gz YYSWJYSUHQVPOY-AEFFLSMTSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000268957195 378162142 /nfs/dbraw/zinc/16/21/42/378162142.db2.gz YYSWJYSUHQVPOY-AEFFLSMTSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCCC1 ZINC000271911773 378515425 /nfs/dbraw/zinc/51/54/25/378515425.db2.gz DZIPZIIZPDTLEB-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274871094 378910587 /nfs/dbraw/zinc/91/05/87/378910587.db2.gz XDCDWWCJPLEJEZ-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274871094 378910596 /nfs/dbraw/zinc/91/05/96/378910596.db2.gz XDCDWWCJPLEJEZ-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713403 379507970 /nfs/dbraw/zinc/50/79/70/379507970.db2.gz YJJSPRLYBQTXEI-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP C=C(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352816538 379979751 /nfs/dbraw/zinc/97/97/51/379979751.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816538 379979759 /nfs/dbraw/zinc/97/97/59/379979759.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352816538 379979765 /nfs/dbraw/zinc/97/97/65/379979765.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@H]2C[C@@H]2C)CC1 ZINC000414126557 380191161 /nfs/dbraw/zinc/19/11/61/380191161.db2.gz RMQMXCOSEFKONP-CWRNSKLLSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)CC1 ZINC000414126560 380191715 /nfs/dbraw/zinc/19/17/15/380191715.db2.gz RMQMXCOSEFKONP-NUEKZKHPSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354193567 380360281 /nfs/dbraw/zinc/36/02/81/380360281.db2.gz ZWWOMEZGABWLAD-CCNLRDMRSA-N 2 1 270.420 3.346 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453322450 542681257 /nfs/dbraw/zinc/68/12/57/542681257.db2.gz QWNNEZYTQJAQIF-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453322450 542681261 /nfs/dbraw/zinc/68/12/61/542681261.db2.gz QWNNEZYTQJAQIF-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000301532721 392593457 /nfs/dbraw/zinc/59/34/57/392593457.db2.gz SIXGKCRZJKYVHL-UHFFFAOYSA-N 2 1 265.788 3.187 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344114 392693335 /nfs/dbraw/zinc/69/33/35/392693335.db2.gz JHXUEMYFAHPRSN-NXHRZFHOSA-N 2 1 272.436 3.276 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000186237627 392780502 /nfs/dbraw/zinc/78/05/02/392780502.db2.gz HBDXBXBEUGABJO-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000186237627 392780505 /nfs/dbraw/zinc/78/05/05/392780505.db2.gz HBDXBXBEUGABJO-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000186237641 392780927 /nfs/dbraw/zinc/78/09/27/392780927.db2.gz HBDXBXBEUGABJO-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000186237641 392780934 /nfs/dbraw/zinc/78/09/34/392780934.db2.gz HBDXBXBEUGABJO-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000338942725 392936312 /nfs/dbraw/zinc/93/63/12/392936312.db2.gz OAWBMOAEZLAIRN-BZSNNMDCSA-N 2 1 289.467 3.123 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000020190077 171056515 /nfs/dbraw/zinc/05/65/15/171056515.db2.gz XRMRNPUXGNUYFZ-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000037200225 260073994 /nfs/dbraw/zinc/07/39/94/260073994.db2.gz NNMFLLLWHNSADL-CVEARBPZSA-N 2 1 285.435 3.473 20 30 CGEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000037200225 260073996 /nfs/dbraw/zinc/07/39/96/260073996.db2.gz NNMFLLLWHNSADL-CVEARBPZSA-N 2 1 285.435 3.473 20 30 CGEDMP C=C(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000298545233 260156362 /nfs/dbraw/zinc/15/63/62/260156362.db2.gz UBKWLESFZYDIRK-INIZCTEOSA-N 2 1 291.345 3.148 20 30 CGEDMP N#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278717542 263049850 /nfs/dbraw/zinc/04/98/50/263049850.db2.gz MAOGFNUFIMJOKM-BCDXTJNWSA-N 2 1 283.419 3.075 20 30 CGEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128283 /nfs/dbraw/zinc/12/82/83/263128283.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128284 /nfs/dbraw/zinc/12/82/84/263128284.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128285 /nfs/dbraw/zinc/12/82/85/263128285.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP CC[N@@H+](CCC1CC[NH+](CCCC#N)CC1)CC1CC1 ZINC000357091007 266246255 /nfs/dbraw/zinc/24/62/55/266246255.db2.gz VZWXMXOGUXVCCC-UHFFFAOYSA-N 2 1 277.456 3.124 20 30 CGEDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360840966 274861615 /nfs/dbraw/zinc/86/16/15/274861615.db2.gz PTZZWOFTRZXLAC-SFHVURJKSA-N 2 1 294.402 3.121 20 30 CGEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000019913033 278258036 /nfs/dbraw/zinc/25/80/36/278258036.db2.gz NPVYJKMFOOYPEE-HOTGVXAUSA-N 2 1 285.435 3.473 20 30 CGEDMP C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276359923 328217715 /nfs/dbraw/zinc/21/77/15/328217715.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276359923 328217717 /nfs/dbraw/zinc/21/77/17/328217717.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276359923 328217719 /nfs/dbraw/zinc/21/77/19/328217719.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 2 1 285.435 3.133 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449072557 330897192 /nfs/dbraw/zinc/89/71/92/330897192.db2.gz QITLQDBYIIYYAL-AWEZNQCLSA-N 2 1 250.430 3.338 20 30 CGEDMP CCC(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449076619 330897563 /nfs/dbraw/zinc/89/75/63/330897563.db2.gz PRDWKAZKRHBQGV-CGZBRXJRSA-N 2 1 279.472 3.415 20 30 CGEDMP CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC000449077715 330897663 /nfs/dbraw/zinc/89/76/63/330897663.db2.gz SQUALMOLPCSOOL-AQFXKWCLSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CC[NH+]1CCC(Nc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460962820 331309622 /nfs/dbraw/zinc/30/96/22/331309622.db2.gz WSGNGTXSZHCIOT-UHFFFAOYSA-N 2 1 295.430 3.336 20 30 CGEDMP C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000177908219 333065667 /nfs/dbraw/zinc/06/56/67/333065667.db2.gz KUXHLBPBHJZMRO-HNNXBMFYSA-N 2 1 288.435 3.305 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccco1 ZINC000517356265 333097390 /nfs/dbraw/zinc/09/73/90/333097390.db2.gz VDQYJVJBQGUNKL-CQSZACIVSA-N 2 1 250.386 3.265 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000581396574 336067952 /nfs/dbraw/zinc/06/79/52/336067952.db2.gz JQIRFHJZIIADIX-HNNXBMFYSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC000581445083 336079141 /nfs/dbraw/zinc/07/91/41/336079141.db2.gz JWLRVXJXAVVZHK-JKSUJKDBSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC000581445083 336079143 /nfs/dbraw/zinc/07/91/43/336079143.db2.gz JWLRVXJXAVVZHK-JKSUJKDBSA-N 2 1 250.430 3.195 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740878618 571890871 /nfs/dbraw/zinc/89/08/71/571890871.db2.gz PAZJNIWLVBWPDX-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP C=CC[NH+](CC(C)C[N@@H+](CC=C)C(C)C)C(C)C ZINC000736308043 572780520 /nfs/dbraw/zinc/78/05/20/572780520.db2.gz FBZBGGXZMCJJPX-UHFFFAOYSA-N 2 1 252.446 3.415 20 30 CGEDMP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000925841420 619290839 /nfs/dbraw/zinc/29/08/39/619290839.db2.gz QYSJWBPQVRWREM-QZTJIDSGSA-N 2 1 277.371 3.101 20 30 CGEDMP C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903205213 621629053 /nfs/dbraw/zinc/62/90/53/621629053.db2.gz FWURCCSPGNAMCP-VHRNVKJDSA-N 2 1 262.441 3.336 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446245 621758854 /nfs/dbraw/zinc/75/88/54/621758854.db2.gz UYOWCTUSNNCAKE-HKUYNNGSSA-N 2 1 297.446 3.139 20 30 CGEDMP C[C@@H]1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903761592 621802378 /nfs/dbraw/zinc/80/23/78/621802378.db2.gz WUNIMUOKNXOUDJ-OWCLPIDISA-N 2 1 277.456 3.156 20 30 CGEDMP C#CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000775421779 628094161 /nfs/dbraw/zinc/09/41/61/628094161.db2.gz JIQLQLOGHKLOIK-IBGZPJMESA-N 2 1 282.431 3.215 20 30 CGEDMP CCC[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000788476101 629057416 /nfs/dbraw/zinc/05/74/16/629057416.db2.gz YRNFKQFLFUXIRK-UHFFFAOYSA-N 2 1 285.435 3.112 20 30 CGEDMP C[N@H+](Cc1ccccc1)C1CCC(=[NH+]n2cccn2)CC1 ZINC000863164073 629488115 /nfs/dbraw/zinc/48/81/15/629488115.db2.gz ZHSMSWDNTVBPTA-UHFFFAOYSA-N 2 1 282.391 3.162 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CCC(=[NH+]n2cccn2)CC1 ZINC000863164073 629488118 /nfs/dbraw/zinc/48/81/18/629488118.db2.gz ZHSMSWDNTVBPTA-UHFFFAOYSA-N 2 1 282.391 3.162 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000815652762 631814375 /nfs/dbraw/zinc/81/43/75/631814375.db2.gz RNUXDSHQCAFLNN-OAHLLOKOSA-N 2 1 276.399 3.048 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000815652762 631814377 /nfs/dbraw/zinc/81/43/77/631814377.db2.gz RNUXDSHQCAFLNN-OAHLLOKOSA-N 2 1 276.399 3.048 20 30 CGEDMP C=CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000817895449 632230706 /nfs/dbraw/zinc/23/07/06/632230706.db2.gz XZTPFSOLQTYUGC-SQNIBIBYSA-N 2 1 279.387 3.433 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872034525 633953528 /nfs/dbraw/zinc/95/35/28/633953528.db2.gz PKEVDJNGCBQMKR-QGZVFWFLSA-N 2 1 292.467 3.108 20 30 CGEDMP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000872102435 634021828 /nfs/dbraw/zinc/02/18/28/634021828.db2.gz QLJMZXHYNWKZHS-JKSUJKDBSA-N 2 1 275.440 3.019 20 30 CGEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000872140699 634064347 /nfs/dbraw/zinc/06/43/47/634064347.db2.gz WDEFBDRGGYOYSX-UAPYVXQJSA-N 2 1 296.458 3.433 20 30 CGEDMP C=CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151054 635379250 /nfs/dbraw/zinc/37/92/50/635379250.db2.gz UEAZQNIRTKIYBY-FUHWJXTLSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151054 635379254 /nfs/dbraw/zinc/37/92/54/635379254.db2.gz UEAZQNIRTKIYBY-FUHWJXTLSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151054 635379261 /nfs/dbraw/zinc/37/92/61/635379261.db2.gz UEAZQNIRTKIYBY-FUHWJXTLSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H](C)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000878332461 635463017 /nfs/dbraw/zinc/46/30/17/635463017.db2.gz QNYNYYIZBJIXJE-INIZCTEOSA-N 2 1 282.472 3.021 20 30 CGEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)[C@H]1CCCO1 ZINC000883186895 636572281 /nfs/dbraw/zinc/57/22/81/636572281.db2.gz BJYULGIQUREFPM-QZTJIDSGSA-N 2 1 292.467 3.130 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664617 637640391 /nfs/dbraw/zinc/64/03/91/637640391.db2.gz SCPVNANLPLOJRL-GFCCVEGCSA-N 2 1 259.397 3.008 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746290 799848823 /nfs/dbraw/zinc/84/88/23/799848823.db2.gz DQYCVPPUGATPII-CHWSQXEVSA-N 2 1 280.378 3.416 20 30 CGEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718124 800178558 /nfs/dbraw/zinc/17/85/58/800178558.db2.gz MZUMFWXNWFPPCS-ULQDDVLXSA-N 2 1 290.838 3.382 20 30 CGEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718124 800178561 /nfs/dbraw/zinc/17/85/61/800178561.db2.gz MZUMFWXNWFPPCS-ULQDDVLXSA-N 2 1 290.838 3.382 20 30 CGEDMP CC(C)(C)[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256573150 806918967 /nfs/dbraw/zinc/91/89/67/806918967.db2.gz DMRGZCGBZVXRHC-MKZZRHPPSA-N 2 1 275.440 3.016 20 30 CGEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1C ZINC001256910274 807006748 /nfs/dbraw/zinc/00/67/48/807006748.db2.gz XDTOUWXYUBSMGK-QGZVFWFLSA-N 2 1 299.462 3.416 20 30 CGEDMP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138550566 803966761 /nfs/dbraw/zinc/96/67/61/803966761.db2.gz XJGNXDHKCSRYBJ-UHFFFAOYSA-N 2 1 279.387 3.026 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001246034153 804102443 /nfs/dbraw/zinc/10/24/43/804102443.db2.gz MWRANMCVZFUGGL-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246028244 804102939 /nfs/dbraw/zinc/10/29/39/804102939.db2.gz JBLCQGJTTNOCPW-BZSNNMDCSA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052778 804104855 /nfs/dbraw/zinc/10/48/55/804104855.db2.gz OGIOXSVWBIJPRN-KSZLIROESA-N 2 1 296.499 3.029 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246068616 804109152 /nfs/dbraw/zinc/10/91/52/804109152.db2.gz WFIINFKXRBQJSM-ULQDDVLXSA-N 2 1 282.472 3.076 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242554 804234024 /nfs/dbraw/zinc/23/40/24/804234024.db2.gz YYDMKOUSFQAQCC-HUUCEWRRSA-N 2 1 258.450 3.079 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246267932 804248030 /nfs/dbraw/zinc/24/80/30/804248030.db2.gz UDKDOLWVCQTFFO-VQTJNVASSA-N 2 1 290.410 3.251 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246461930 804342250 /nfs/dbraw/zinc/34/22/50/804342250.db2.gz ANIURFIOVBLHPL-BBWFWOEESA-N 2 1 284.488 3.482 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(CC#N)CC1 ZINC001246501115 804361826 /nfs/dbraw/zinc/36/18/26/804361826.db2.gz KPONANHDVXUEMX-UHFFFAOYSA-N 2 1 265.445 3.346 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246540997 804390780 /nfs/dbraw/zinc/39/07/80/804390780.db2.gz NHMMRSMYBXRQIZ-YHUYYLMFSA-N 2 1 252.446 3.262 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652453 804479043 /nfs/dbraw/zinc/47/90/43/804479043.db2.gz OYBBBZJLLVIGNX-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652453 804479044 /nfs/dbraw/zinc/47/90/44/804479044.db2.gz OYBBBZJLLVIGNX-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771244 804502334 /nfs/dbraw/zinc/50/23/34/804502334.db2.gz XLKKUJCDPWOIDE-BCDXTJNWSA-N 2 1 285.435 3.299 20 30 CGEDMP C[NH2+]CC[C@H](C)[N@H+](CCC#N)C1CCCCCCC1 ZINC001246769359 804503549 /nfs/dbraw/zinc/50/35/49/804503549.db2.gz JFGHOQZNCOIFBU-HNNXBMFYSA-N 2 1 265.445 3.313 20 30 CGEDMP C[NH2+]CC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001246769359 804503554 /nfs/dbraw/zinc/50/35/54/804503554.db2.gz JFGHOQZNCOIFBU-HNNXBMFYSA-N 2 1 265.445 3.313 20 30 CGEDMP CC[C@H]1CC([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771259 804504614 /nfs/dbraw/zinc/50/46/14/804504614.db2.gz XLKKUJCDPWOIDE-IRXDYDNUSA-N 2 1 285.435 3.299 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246871049 804573151 /nfs/dbraw/zinc/57/31/51/804573151.db2.gz MTXOQNXUBXBYFT-AEFFLSMTSA-N 2 1 295.515 3.090 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cccc2C[NH3+])cc1 ZINC001167600406 807211945 /nfs/dbraw/zinc/21/19/45/807211945.db2.gz XMVMDZULZFLVMI-GOSISDBHSA-N 2 1 281.403 3.259 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C[C@H](C1)C2 ZINC001257895728 807245655 /nfs/dbraw/zinc/24/56/55/807245655.db2.gz ZPJUFSBFDHJWEE-UJJTZGENSA-N 2 1 274.452 3.149 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C[C@H](C1)C2 ZINC001257895728 807245659 /nfs/dbraw/zinc/24/56/59/807245659.db2.gz ZPJUFSBFDHJWEE-UJJTZGENSA-N 2 1 274.452 3.149 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C[C@H](C1)C2 ZINC001257895728 807245661 /nfs/dbraw/zinc/24/56/61/807245661.db2.gz ZPJUFSBFDHJWEE-UJJTZGENSA-N 2 1 274.452 3.149 20 30 CGEDMP C#CC1([NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168029575 807301404 /nfs/dbraw/zinc/30/14/04/807301404.db2.gz TUWMCYNSYJYXGN-HZPDHXFCSA-N 2 1 282.431 3.183 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724113 807572654 /nfs/dbraw/zinc/57/26/54/807572654.db2.gz NKZZUXSGTMQYSF-BZUAXINKSA-N 2 1 280.456 3.092 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc([C@@H](C)[NH3+])n2)cc1 ZINC001169237176 807611263 /nfs/dbraw/zinc/61/12/63/807611263.db2.gz LXHQDAKRMUIZRR-KDOFPFPSSA-N 2 1 296.418 3.215 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001171194138 808007097 /nfs/dbraw/zinc/00/70/97/808007097.db2.gz GOOUWBVZDBSGAG-CRAIPNDOSA-N 2 1 297.446 3.096 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001171194138 808007100 /nfs/dbraw/zinc/00/71/00/808007100.db2.gz GOOUWBVZDBSGAG-CRAIPNDOSA-N 2 1 297.446 3.096 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961526 808160065 /nfs/dbraw/zinc/16/00/65/808160065.db2.gz ADDUQYULAPYKLG-GOSISDBHSA-N 2 1 284.447 3.433 20 30 CGEDMP C=CCCCC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128088 808186692 /nfs/dbraw/zinc/18/66/92/808186692.db2.gz OKMFVEOPZSSJPD-ZSHCYNCHSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128088 808186696 /nfs/dbraw/zinc/18/66/96/808186696.db2.gz OKMFVEOPZSSJPD-ZSHCYNCHSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128088 808186699 /nfs/dbraw/zinc/18/66/99/808186699.db2.gz OKMFVEOPZSSJPD-ZSHCYNCHSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128088 808186702 /nfs/dbraw/zinc/18/67/02/808186702.db2.gz OKMFVEOPZSSJPD-ZSHCYNCHSA-N 2 1 250.430 3.290 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172292081 808217462 /nfs/dbraw/zinc/21/74/62/808217462.db2.gz CJDCGBQLSUOFJO-IAGOWNOFSA-N 2 1 299.462 3.343 20 30 CGEDMP CC1(C#N)CCC([N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591492 808648466 /nfs/dbraw/zinc/64/84/66/808648466.db2.gz RYLNCJAGQQUSCF-MJYONLJCSA-N 2 1 289.467 3.441 20 30 CGEDMP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275975947 808980590 /nfs/dbraw/zinc/98/05/90/808980590.db2.gz SUHQFKULBAOAGT-GOSISDBHSA-N 2 1 274.452 3.130 20 30 CGEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275975947 808980595 /nfs/dbraw/zinc/98/05/95/808980595.db2.gz SUHQFKULBAOAGT-GOSISDBHSA-N 2 1 274.452 3.130 20 30 CGEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275975947 808980600 /nfs/dbraw/zinc/98/06/00/808980600.db2.gz SUHQFKULBAOAGT-GOSISDBHSA-N 2 1 274.452 3.130 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351347 809372230 /nfs/dbraw/zinc/37/22/30/809372230.db2.gz LDBVKYPPTWBNBP-MSOLQXFVSA-N 2 1 276.468 3.375 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204755315 812727494 /nfs/dbraw/zinc/72/74/94/812727494.db2.gz GKRCHMGNJZGZII-KRWDZBQOSA-N 2 1 282.472 3.343 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205627643 813033944 /nfs/dbraw/zinc/03/39/44/813033944.db2.gz RFKQQNKPGGXPIT-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001206563468 813355313 /nfs/dbraw/zinc/35/53/13/813355313.db2.gz DHIKQNYGGDWLSI-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001206563468 813355318 /nfs/dbraw/zinc/35/53/18/813355318.db2.gz DHIKQNYGGDWLSI-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C#N)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293915 813538478 /nfs/dbraw/zinc/53/84/78/813538478.db2.gz NCPIYEXVUKCBKU-IBGZPJMESA-N 2 1 297.446 3.134 20 30 CGEDMP C#CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H]1CCc2ccccc21 ZINC001208598870 813770908 /nfs/dbraw/zinc/77/09/08/813770908.db2.gz ZNHSAOMKOWBJAK-HXUWFJFHSA-N 2 1 296.458 3.341 20 30 CGEDMP N#Cc1cccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222385544 816426150 /nfs/dbraw/zinc/42/61/50/816426150.db2.gz PZKZCFGJYSEKQP-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1cccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1 ZINC001222385544 816426155 /nfs/dbraw/zinc/42/61/55/816426155.db2.gz PZKZCFGJYSEKQP-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400917 816433544 /nfs/dbraw/zinc/43/35/44/816433544.db2.gz NMULGPGXUHDERR-UHFFFAOYSA-N 2 1 294.483 3.215 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001234994745 818973129 /nfs/dbraw/zinc/97/31/29/818973129.db2.gz SSJHRXVCUFIERJ-QZTJIDSGSA-N 2 1 274.452 3.365 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024012 818980376 /nfs/dbraw/zinc/98/03/76/818980376.db2.gz JJTWWHUXOSDYDZ-UHFFFAOYSA-N 2 1 252.446 3.422 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124323 819011437 /nfs/dbraw/zinc/01/14/37/819011437.db2.gz MPFMPZQXZXPKMM-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235124323 819011438 /nfs/dbraw/zinc/01/14/38/819011438.db2.gz MPFMPZQXZXPKMM-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402863 819086536 /nfs/dbraw/zinc/08/65/36/819086536.db2.gz KBIWSMOLWKREHB-HZPDHXFCSA-N 2 1 268.420 3.146 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929527 819227885 /nfs/dbraw/zinc/22/78/85/819227885.db2.gz QZEHTSJQXKPIPQ-DLBZAZTESA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012468 819275326 /nfs/dbraw/zinc/27/53/26/819275326.db2.gz MAZONOJEYNQJEI-MOPGFXCFSA-N 2 1 284.447 3.206 20 30 CGEDMP CCCCCCCCC[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236080204 819305254 /nfs/dbraw/zinc/30/52/54/819305254.db2.gz SVWGZRBMIRSVBX-GOSISDBHSA-N 2 1 295.515 3.092 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236605334 819550897 /nfs/dbraw/zinc/55/08/97/819550897.db2.gz MEFYDONOPMFRRT-INIZCTEOSA-N 2 1 297.446 3.085 20 30 CGEDMP C#CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001352112816 937037184 /nfs/dbraw/zinc/03/71/84/937037184.db2.gz PCCNOQBFWOIWOR-RCCFBDPRSA-N 2 1 276.468 3.232 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)[C@H](C)C1 ZINC001173332623 928228998 /nfs/dbraw/zinc/22/89/98/928228998.db2.gz PPXIASBUKDBQNB-VXLLPVPCSA-N 2 1 277.456 3.167 20 30 CGEDMP C=CCC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460886795 937549082 /nfs/dbraw/zinc/54/90/82/937549082.db2.gz QDLAFMQZXNGTGQ-MRXNPFEDSA-N 2 1 250.430 3.293 20 30 CGEDMP C#CC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001574667134 962307991 /nfs/dbraw/zinc/30/79/91/962307991.db2.gz NBQYUZKAXUFHSY-HZPDHXFCSA-N 2 1 276.468 3.136 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000651730173 398277479 /nfs/dbraw/zinc/27/74/79/398277479.db2.gz BPZFKIXMDHYNFJ-WMZOPIPTSA-N 2 1 294.483 3.210 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623657413 349859741 /nfs/dbraw/zinc/85/97/41/349859741.db2.gz QBDVMVUARQMYRO-PMPSAXMXSA-N 2 1 250.430 3.053 20 30 CGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493265 347177559 /nfs/dbraw/zinc/17/75/59/347177559.db2.gz JLIOTRGTMUBXNW-UHFFFAOYSA-N 2 1 299.462 3.452 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081200 347279363 /nfs/dbraw/zinc/27/93/63/347279363.db2.gz QXKMJANEQILWQG-BZUAXINKSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081200 347279366 /nfs/dbraw/zinc/27/93/66/347279366.db2.gz QXKMJANEQILWQG-BZUAXINKSA-N 2 1 275.440 3.065 20 30 CGEDMP CC[NH+](CC)CCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640605 347331880 /nfs/dbraw/zinc/33/18/80/347331880.db2.gz RDLHVCNDHWVDHH-UHFFFAOYSA-N 2 1 273.424 3.115 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597114270 347536157 /nfs/dbraw/zinc/53/61/57/347536157.db2.gz DORFLEICXCGTLI-SFHVURJKSA-N 2 1 297.446 3.158 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068609 347714162 /nfs/dbraw/zinc/71/41/62/347714162.db2.gz AEENWWPTIXENEO-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068609 347714163 /nfs/dbraw/zinc/71/41/63/347714163.db2.gz AEENWWPTIXENEO-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000602511371 347973026 /nfs/dbraw/zinc/97/30/26/347973026.db2.gz QROFFQKCTJHVLN-IRXDYDNUSA-N 2 1 279.472 3.272 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391531 348444749 /nfs/dbraw/zinc/44/47/49/348444749.db2.gz MZYBNJJLHSKAQM-APWZRJJASA-N 2 1 297.446 3.257 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265726 236014097 /nfs/dbraw/zinc/01/40/97/236014097.db2.gz RGJIRTHPURBNII-MSOLQXFVSA-N 2 1 283.419 3.043 20 30 CGEDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(C#N)c1 ZINC000423269261 236014808 /nfs/dbraw/zinc/01/48/08/236014808.db2.gz VVHJJVSCDXUHNF-GUYCJALGSA-N 2 1 271.408 3.116 20 30 CGEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423494780 236086007 /nfs/dbraw/zinc/08/60/07/236086007.db2.gz BAHLEVQONGFPRZ-OALUTQOASA-N 2 1 297.446 3.433 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275639712 193092856 /nfs/dbraw/zinc/09/28/56/193092856.db2.gz SXDVFZGRKPSZFK-LSDHHAIUSA-N 2 1 261.413 3.170 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000129490997 370990556 /nfs/dbraw/zinc/99/05/56/370990556.db2.gz FVWFQJRUZQVUML-YQQAZPJKSA-N 2 1 264.457 3.441 20 30 CGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063319739 369645972 /nfs/dbraw/zinc/64/59/72/369645972.db2.gz RPYIHPWKPJICAQ-UHFFFAOYSA-N 2 1 297.446 3.302 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253369 370095017 /nfs/dbraw/zinc/09/50/17/370095017.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253369 370095023 /nfs/dbraw/zinc/09/50/23/370095023.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253369 370095036 /nfs/dbraw/zinc/09/50/36/370095036.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423022990 371920681 /nfs/dbraw/zinc/92/06/81/371920681.db2.gz GKORQTAURAAHTO-QAPCUYQASA-N 2 1 297.446 3.448 20 30 CGEDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260951 372044639 /nfs/dbraw/zinc/04/46/39/372044639.db2.gz IWIWQDNDOJQSFU-SUMWQHHRSA-N 2 1 271.408 3.116 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429696010 372375685 /nfs/dbraw/zinc/37/56/85/372375685.db2.gz QRYZMCPULDHHFQ-VSZNYVQBSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429696010 372375687 /nfs/dbraw/zinc/37/56/87/372375687.db2.gz QRYZMCPULDHHFQ-VSZNYVQBSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429696010 372375690 /nfs/dbraw/zinc/37/56/90/372375690.db2.gz QRYZMCPULDHHFQ-VSZNYVQBSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429696010 372375693 /nfs/dbraw/zinc/37/56/93/372375693.db2.gz QRYZMCPULDHHFQ-VSZNYVQBSA-N 2 1 289.467 3.265 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000294898609 372676413 /nfs/dbraw/zinc/67/64/13/372676413.db2.gz FJPIIVHSYCVQQQ-ZDUSSCGKSA-N 2 1 293.480 3.181 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000294898609 372676418 /nfs/dbraw/zinc/67/64/18/372676418.db2.gz FJPIIVHSYCVQQQ-ZDUSSCGKSA-N 2 1 293.480 3.181 20 30 CGEDMP C=CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699252 372798057 /nfs/dbraw/zinc/79/80/57/372798057.db2.gz ZEILKSMNNNZRNO-HNNXBMFYSA-N 2 1 276.449 3.268 20 30 CGEDMP C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767065 373075417 /nfs/dbraw/zinc/07/54/17/373075417.db2.gz LZBGCHAMSNZNBK-BPQIPLTHSA-N 2 1 285.435 3.179 20 30 CGEDMP C=CCCC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093533547 541982777 /nfs/dbraw/zinc/98/27/77/541982777.db2.gz CGABWSIQWRBTGM-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)CC1CCCCC1 ZINC000514946159 375807885 /nfs/dbraw/zinc/80/78/85/375807885.db2.gz BQTBDHUDWQJMHD-UHFFFAOYSA-N 2 1 275.440 3.421 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)CC1CCCCC1 ZINC000514946159 375807892 /nfs/dbraw/zinc/80/78/92/375807892.db2.gz BQTBDHUDWQJMHD-UHFFFAOYSA-N 2 1 275.440 3.421 20 30 CGEDMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000270678597 378388029 /nfs/dbraw/zinc/38/80/29/378388029.db2.gz UCKVJCSDJRTSBV-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000270678597 378388034 /nfs/dbraw/zinc/38/80/34/378388034.db2.gz UCKVJCSDJRTSBV-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346632640 378655156 /nfs/dbraw/zinc/65/51/56/378655156.db2.gz DHEZAMKCZOGYLJ-OCCSQVGLSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346632640 378655159 /nfs/dbraw/zinc/65/51/59/378655159.db2.gz DHEZAMKCZOGYLJ-OCCSQVGLSA-N 2 1 294.826 3.074 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCCC2)CC1 ZINC000638525622 378826975 /nfs/dbraw/zinc/82/69/75/378826975.db2.gz ZPGPFXFMBBTBAJ-GOSISDBHSA-N 2 1 294.483 3.212 20 30 CGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274748799 378887378 /nfs/dbraw/zinc/88/73/78/378887378.db2.gz AARMCNDRPTYXRD-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000349344170 379240126 /nfs/dbraw/zinc/24/01/26/379240126.db2.gz HJYDYOIFGHVRJF-UHFFFAOYSA-N 2 1 285.435 3.175 20 30 CGEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000349344170 379240130 /nfs/dbraw/zinc/24/01/30/379240130.db2.gz HJYDYOIFGHVRJF-UHFFFAOYSA-N 2 1 285.435 3.175 20 30 CGEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000267202242 190310945 /nfs/dbraw/zinc/31/09/45/190310945.db2.gz OTEZBFLSDXTENN-UHFFFAOYSA-N 2 1 283.419 3.055 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420301671 380845928 /nfs/dbraw/zinc/84/59/28/380845928.db2.gz ISYVYJHSQLAUAK-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359191038 381338553 /nfs/dbraw/zinc/33/85/53/381338553.db2.gz OBVAVFIHDOSQQP-UHFFFAOYSA-N 2 1 258.409 3.064 20 30 CGEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839019 381629910 /nfs/dbraw/zinc/62/99/10/381629910.db2.gz WAFWRFIPPJZXFG-LPHOPBHVSA-N 2 1 297.446 3.257 20 30 CGEDMP C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223074 533372979 /nfs/dbraw/zinc/37/29/79/533372979.db2.gz KCBXHELVSLEPES-CABCVRRESA-N 2 1 277.456 3.169 20 30 CGEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000290369393 392446449 /nfs/dbraw/zinc/44/64/49/392446449.db2.gz NGVXHDKFMHYLRG-UHFFFAOYSA-N 2 1 292.426 3.409 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000186249241 392780163 /nfs/dbraw/zinc/78/01/63/392780163.db2.gz LCUWZNNKNGLSPL-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000186249241 392780166 /nfs/dbraw/zinc/78/01/66/392780166.db2.gz LCUWZNNKNGLSPL-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2C)C1 ZINC000186249241 392780170 /nfs/dbraw/zinc/78/01/70/392780170.db2.gz LCUWZNNKNGLSPL-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186249241 392780174 /nfs/dbraw/zinc/78/01/74/392780174.db2.gz LCUWZNNKNGLSPL-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186249241 392780178 /nfs/dbraw/zinc/78/01/78/392780178.db2.gz LCUWZNNKNGLSPL-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404052424 392962409 /nfs/dbraw/zinc/96/24/09/392962409.db2.gz KILBOSSXTDDCGL-AWEZNQCLSA-N 2 1 289.398 3.051 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404052424 392962411 /nfs/dbraw/zinc/96/24/11/392962411.db2.gz KILBOSSXTDDCGL-AWEZNQCLSA-N 2 1 289.398 3.051 20 30 CGEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404581344 392968394 /nfs/dbraw/zinc/96/83/94/392968394.db2.gz GFMRDNDBMALZLH-CZUORRHYSA-N 2 1 289.398 3.098 20 30 CGEDMP N#CCC[N@H+](Cc1cc(-n2ccnc2)cs1)CC1CC1 ZINC000346135045 393076028 /nfs/dbraw/zinc/07/60/28/393076028.db2.gz GOGNBYPIDATCDZ-UHFFFAOYSA-N 2 1 286.404 3.059 20 30 CGEDMP N#CCCN(Cc1cc(-n2ccnc2)cs1)CC1CC1 ZINC000346135045 393076030 /nfs/dbraw/zinc/07/60/30/393076030.db2.gz GOGNBYPIDATCDZ-UHFFFAOYSA-N 2 1 286.404 3.059 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723138 543181249 /nfs/dbraw/zinc/18/12/49/543181249.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723138 543181252 /nfs/dbraw/zinc/18/12/52/543181252.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723138 543181254 /nfs/dbraw/zinc/18/12/54/543181254.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723138 543181255 /nfs/dbraw/zinc/18/12/55/543181255.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccco1 ZINC000286279547 397671498 /nfs/dbraw/zinc/67/14/98/397671498.db2.gz VREHRTPNMGWHHZ-OAHLLOKOSA-N 2 1 273.380 3.472 20 30 CGEDMP C=C(C)C[N@H+](CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121152 543485095 /nfs/dbraw/zinc/48/50/95/543485095.db2.gz SEYUGQGVAUZENU-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000037229383 173048963 /nfs/dbraw/zinc/04/89/63/173048963.db2.gz NYFYFPQUBIWQDT-OAHLLOKOSA-N 2 1 271.408 3.085 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037236813 173053827 /nfs/dbraw/zinc/05/38/27/173053827.db2.gz WQBFFUZQPAZHGG-AWEZNQCLSA-N 2 1 271.408 3.082 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401215 543708489 /nfs/dbraw/zinc/70/84/89/543708489.db2.gz JNMMSHYIRPCZDF-HRCADAONSA-N 2 1 262.441 3.031 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000414949170 263156386 /nfs/dbraw/zinc/15/63/86/263156386.db2.gz NDGIOILBTLVCEH-OCCSQVGLSA-N 2 1 294.826 3.135 20 30 CGEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072107 /nfs/dbraw/zinc/07/21/07/277072107.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072109 /nfs/dbraw/zinc/07/21/09/277072109.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072110 /nfs/dbraw/zinc/07/21/10/277072110.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782109 290220723 /nfs/dbraw/zinc/22/07/23/290220723.db2.gz WICICPABVSRVRC-NVXWUHKLSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782109 290220729 /nfs/dbraw/zinc/22/07/29/290220729.db2.gz WICICPABVSRVRC-NVXWUHKLSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414683080 328213964 /nfs/dbraw/zinc/21/39/64/328213964.db2.gz SMNJKLVWMDEEPJ-KGLIPLIRSA-N 2 1 264.438 3.124 20 30 CGEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227431 /nfs/dbraw/zinc/22/74/31/328227431.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227432 /nfs/dbraw/zinc/22/74/32/328227432.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227433 /nfs/dbraw/zinc/22/74/33/328227433.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 2 1 297.446 3.133 20 30 CGEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836044 328302274 /nfs/dbraw/zinc/30/22/74/328302274.db2.gz HPDJDFKFBAOEFD-ZWKOTPCHSA-N 2 1 272.436 3.235 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000562041405 327441941 /nfs/dbraw/zinc/44/19/41/327441941.db2.gz LTZPXKHEIRVMNF-JKSUJKDBSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421831470 330091010 /nfs/dbraw/zinc/09/10/10/330091010.db2.gz LKSIBTXFPTXRRQ-MRXNPFEDSA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502333 330208307 /nfs/dbraw/zinc/20/83/07/330208307.db2.gz FERCLOLGJGBIBZ-FGTMMUONSA-N 2 1 272.436 3.467 20 30 CGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442794398 330784115 /nfs/dbraw/zinc/78/41/15/330784115.db2.gz SZFXMTMPEZNQFX-JTDSTZFVSA-N 2 1 297.446 3.494 20 30 CGEDMP C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449698580 330944471 /nfs/dbraw/zinc/94/44/71/330944471.db2.gz OCLQQZGOWGOGNW-YOEHRIQHSA-N 2 1 299.418 3.158 20 30 CGEDMP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000164419705 331225868 /nfs/dbraw/zinc/22/58/68/331225868.db2.gz KPBVVJVKDAFNSH-UHFFFAOYSA-N 2 1 258.409 3.207 20 30 CGEDMP CC#CCC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000462346944 331320074 /nfs/dbraw/zinc/32/00/74/331320074.db2.gz FSQSGPSHNPUETF-UHFFFAOYSA-N 2 1 278.484 3.480 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769311 527753637 /nfs/dbraw/zinc/75/36/37/527753637.db2.gz RFWGMMXXDBMWKP-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769311 527753641 /nfs/dbraw/zinc/75/36/41/527753641.db2.gz RFWGMMXXDBMWKP-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769311 527753643 /nfs/dbraw/zinc/75/36/43/527753643.db2.gz RFWGMMXXDBMWKP-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(CCCOC)CCC2)CC1 ZINC000892880847 618947942 /nfs/dbraw/zinc/94/79/42/618947942.db2.gz LRBYDQKPDAQYLN-UHFFFAOYSA-N 2 1 294.483 3.213 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000895375463 619817519 /nfs/dbraw/zinc/81/75/19/619817519.db2.gz BNANXKGHBNPUIQ-CZUORRHYSA-N 2 1 291.464 3.172 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000895375463 619817520 /nfs/dbraw/zinc/81/75/20/619817520.db2.gz BNANXKGHBNPUIQ-CZUORRHYSA-N 2 1 291.464 3.172 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897970548 620450988 /nfs/dbraw/zinc/45/09/88/620450988.db2.gz SNDSLGMRCSDMSY-KSZLIROESA-N 2 1 296.499 3.314 20 30 CGEDMP C=C(Cl)C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902346892 621256998 /nfs/dbraw/zinc/25/69/98/621256998.db2.gz MCUSPQITSLZPAN-CQSZACIVSA-N 2 1 288.769 3.477 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753586 621425628 /nfs/dbraw/zinc/42/56/28/621425628.db2.gz QLICAXSXARVVTG-SQNIBIBYSA-N 2 1 283.419 3.226 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761550 621429510 /nfs/dbraw/zinc/42/95/10/621429510.db2.gz SJGMDLVAMZDDRB-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903018212 621520521 /nfs/dbraw/zinc/52/05/21/621520521.db2.gz YYSUWOPROYMJNZ-QAPCUYQASA-N 2 1 285.435 3.331 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446250 621758313 /nfs/dbraw/zinc/75/83/13/621758313.db2.gz UYOWCTUSNNCAKE-PKOBYXMFSA-N 2 1 297.446 3.139 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000903476215 621764213 /nfs/dbraw/zinc/76/42/13/621764213.db2.gz QKWXIANJEVNWNW-LJQANCHMSA-N 2 1 299.462 3.372 20 30 CGEDMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903761590 621802560 /nfs/dbraw/zinc/80/25/60/621802560.db2.gz WUNIMUOKNXOUDJ-BZUAXINKSA-N 2 1 277.456 3.156 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000922171239 625979104 /nfs/dbraw/zinc/97/91/04/625979104.db2.gz KBCZIYSIWPKJHO-UHFFFAOYSA-N 2 1 285.435 3.139 20 30 CGEDMP C=CCCCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000806167638 630550746 /nfs/dbraw/zinc/55/07/46/630550746.db2.gz CNPWOEGLMKZLMG-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000809594903 630756634 /nfs/dbraw/zinc/75/66/34/630756634.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594903 630756636 /nfs/dbraw/zinc/75/66/36/630756636.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594903 630756639 /nfs/dbraw/zinc/75/66/39/630756639.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 2 1 294.442 3.117 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000815652761 631814169 /nfs/dbraw/zinc/81/41/69/631814169.db2.gz RNUXDSHQCAFLNN-HNNXBMFYSA-N 2 1 276.399 3.048 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000815652761 631814173 /nfs/dbraw/zinc/81/41/73/631814173.db2.gz RNUXDSHQCAFLNN-HNNXBMFYSA-N 2 1 276.399 3.048 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000815652444 631814293 /nfs/dbraw/zinc/81/42/93/631814293.db2.gz CNGRILDVMMUZDJ-SFHVURJKSA-N 2 1 288.410 3.130 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000815652444 631814294 /nfs/dbraw/zinc/81/42/94/631814294.db2.gz CNGRILDVMMUZDJ-SFHVURJKSA-N 2 1 288.410 3.130 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000817977666 632269077 /nfs/dbraw/zinc/26/90/77/632269077.db2.gz NPXQAKQFROLCHU-AVGNSLFASA-N 2 1 282.815 3.204 20 30 CGEDMP C=CCCCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785102 633864345 /nfs/dbraw/zinc/86/43/45/633864345.db2.gz RGNXSUOTJFXANF-GOOCMWNKSA-N 2 1 279.428 3.104 20 30 CGEDMP C=CCCCCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785102 633864349 /nfs/dbraw/zinc/86/43/49/633864349.db2.gz RGNXSUOTJFXANF-GOOCMWNKSA-N 2 1 279.428 3.104 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000883192928 636576496 /nfs/dbraw/zinc/57/64/96/636576496.db2.gz KSTOUNACCGNENK-SJORKVTESA-N 2 1 291.439 3.075 20 30 CGEDMP C=CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139255 638640716 /nfs/dbraw/zinc/64/07/16/638640716.db2.gz QWFLELKBVYCSTP-HOTGVXAUSA-N 2 1 273.424 3.161 20 30 CGEDMP C=CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139255 638640721 /nfs/dbraw/zinc/64/07/21/638640721.db2.gz QWFLELKBVYCSTP-HOTGVXAUSA-N 2 1 273.424 3.161 20 30 CGEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(C(C)C)c1)C(C)C ZINC000303979182 640853173 /nfs/dbraw/zinc/85/31/73/640853173.db2.gz MUKFSMDVPPIXHC-UHFFFAOYSA-N 2 1 290.455 3.267 20 30 CGEDMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668806 806479347 /nfs/dbraw/zinc/47/93/47/806479347.db2.gz LFNKVWYLIJXAML-PKOBYXMFSA-N 2 1 297.446 3.275 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668806 806479352 /nfs/dbraw/zinc/47/93/52/806479352.db2.gz LFNKVWYLIJXAML-PKOBYXMFSA-N 2 1 297.446 3.275 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000328210322 799249923 /nfs/dbraw/zinc/24/99/23/799249923.db2.gz WFPCVYUAIBBREC-INIZCTEOSA-N 2 1 278.827 3.336 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000328210322 799249926 /nfs/dbraw/zinc/24/99/26/799249926.db2.gz WFPCVYUAIBBREC-INIZCTEOSA-N 2 1 278.827 3.336 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)C[NH+](C)C)cc1 ZINC001163785047 806827201 /nfs/dbraw/zinc/82/72/01/806827201.db2.gz ASPYHQUAUASVHT-YJBOKZPZSA-N 2 1 287.451 3.372 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CC[N@@H+]1Cc1ccccc1 ZINC001256530424 806910810 /nfs/dbraw/zinc/91/08/10/806910810.db2.gz LLLFFOQCYCQKRM-GDBMZVCRSA-N 2 1 292.492 3.338 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CC[N@H+]1Cc1ccccc1 ZINC001256530424 806910811 /nfs/dbraw/zinc/91/08/11/806910811.db2.gz LLLFFOQCYCQKRM-GDBMZVCRSA-N 2 1 292.492 3.338 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256899581 807002159 /nfs/dbraw/zinc/00/21/59/807002159.db2.gz HGMHHGIBWHAPGG-XHSDSOJGSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899581 807002165 /nfs/dbraw/zinc/00/21/65/807002165.db2.gz HGMHHGIBWHAPGG-XHSDSOJGSA-N 2 1 275.440 3.065 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023611 804100715 /nfs/dbraw/zinc/10/07/15/804100715.db2.gz SHJVUVQPYHTKIZ-DLBZAZTESA-N 2 1 282.472 3.077 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246023613 804100989 /nfs/dbraw/zinc/10/09/89/804100989.db2.gz SHJVUVQPYHTKIZ-IAGOWNOFSA-N 2 1 282.472 3.077 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246042668 804101940 /nfs/dbraw/zinc/10/19/40/804101940.db2.gz CYEBBLVQJQOXNF-MSOLQXFVSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246059031 804103807 /nfs/dbraw/zinc/10/38/07/804103807.db2.gz XPOARYZVQDCVPL-KRWDZBQOSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246174343 804189482 /nfs/dbraw/zinc/18/94/82/804189482.db2.gz KAVRUHMQYKSFIW-CABCVRRESA-N 2 1 258.425 3.417 20 30 CGEDMP C[C@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC001246189016 804198099 /nfs/dbraw/zinc/19/80/99/804198099.db2.gz LHDCFZFSYKSHAO-ACBHZAAOSA-N 2 1 297.446 3.316 20 30 CGEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246262603 804243697 /nfs/dbraw/zinc/24/36/97/804243697.db2.gz ITEQXVIPLHLPAT-WOJBJXKFSA-N 2 1 290.410 3.251 20 30 CGEDMP N#Cc1ccc(C2CCC([NH2+]C3(C[NH3+])CCCC3)CC2)cc1 ZINC001246279598 804254672 /nfs/dbraw/zinc/25/46/72/804254672.db2.gz NKJZYOODQZPNRT-UHFFFAOYSA-N 2 1 297.446 3.446 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC001246302238 804267877 /nfs/dbraw/zinc/26/78/77/804267877.db2.gz BZFOLQPMRQSRBD-PMPSAXMXSA-N 2 1 298.471 3.018 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](C[NH3+])[C@@H]3C)C[C@H](C1)C2 ZINC001246568148 804415325 /nfs/dbraw/zinc/41/53/25/804415325.db2.gz ZQZPKOCSVQNEPI-LADIWZGKSA-N 2 1 262.441 3.181 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@]34CCC[NH2+]C4)C[C@H](C1)C2 ZINC001246611595 804445631 /nfs/dbraw/zinc/44/56/31/804445631.db2.gz URSRIPZAWIMTAQ-UJJTZGENSA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617470 804452602 /nfs/dbraw/zinc/45/26/02/804452602.db2.gz GFZNUGAANHGVFD-BZSNNMDCSA-N 2 1 295.515 3.151 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628737 804459066 /nfs/dbraw/zinc/45/90/66/804459066.db2.gz DBUMHTSUNLQNLV-BRWVUGGUSA-N 2 1 282.472 3.046 20 30 CGEDMP CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246632682 804462103 /nfs/dbraw/zinc/46/21/03/804462103.db2.gz WSFGKAFVWICOIS-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770964 804503488 /nfs/dbraw/zinc/50/34/88/804503488.db2.gz UFFDAPICGYNZAO-DOTOQJQBSA-N 2 1 277.456 3.455 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770964 804503491 /nfs/dbraw/zinc/50/34/91/804503491.db2.gz UFFDAPICGYNZAO-DOTOQJQBSA-N 2 1 277.456 3.455 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246790992 804514352 /nfs/dbraw/zinc/51/43/52/804514352.db2.gz FXEGEZQMBQZBCU-JWTNVVGKSA-N 2 1 270.420 3.348 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)CC2)cc1 ZINC001246862755 804567700 /nfs/dbraw/zinc/56/77/00/804567700.db2.gz RCKNZRUIQFBQKF-VLOYRQLPSA-N 2 1 295.430 3.008 20 30 CGEDMP C=CC[N@@H+]([C@H]1CCC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246918941 804600211 /nfs/dbraw/zinc/60/02/11/804600211.db2.gz HWXUFBAHODQUGK-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC[N@@H+](CCC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167826846 807255875 /nfs/dbraw/zinc/25/58/75/807255875.db2.gz RNZVRKPAHFUZKM-HNNXBMFYSA-N 2 1 253.434 3.123 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304054 807376708 /nfs/dbraw/zinc/37/67/08/807376708.db2.gz MVJGHBLAHCRFBN-UHFFFAOYSA-N 2 1 250.361 3.146 20 30 CGEDMP C=CCC[C@@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001258736560 807581774 /nfs/dbraw/zinc/58/17/74/807581774.db2.gz WDFAYXDUSCQALF-OAHLLOKOSA-N 2 1 273.424 3.303 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143127 807590057 /nfs/dbraw/zinc/59/00/57/807590057.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143127 807590063 /nfs/dbraw/zinc/59/00/63/807590063.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143127 807590069 /nfs/dbraw/zinc/59/00/69/807590069.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143127 807590075 /nfs/dbraw/zinc/59/00/75/807590075.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 2 1 294.442 3.234 20 30 CGEDMP C=CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC001169244905 807612466 /nfs/dbraw/zinc/61/24/66/807612466.db2.gz YFGZAKRWEHXJGK-QGZVFWFLSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC[C@@H](C)[NH3+])cc1 ZINC001170894495 807927190 /nfs/dbraw/zinc/92/71/90/807927190.db2.gz IJKAQHMLNREMAU-RHSMWYFYSA-N 2 1 273.424 3.159 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2cccc(C#N)c2)CC1(C)C ZINC001171613990 808105243 /nfs/dbraw/zinc/10/52/43/808105243.db2.gz SPXCMNLICMINSG-UHFFFAOYSA-N 2 1 285.435 3.299 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001201840200 811969419 /nfs/dbraw/zinc/96/94/19/811969419.db2.gz OSMGGCMHCAOFLO-HZPDHXFCSA-N 2 1 252.446 3.373 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236434566 819478460 /nfs/dbraw/zinc/47/84/60/819478460.db2.gz NFFJMFNMMURASN-OAHLLOKOSA-N 2 1 256.409 3.276 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236434566 819478466 /nfs/dbraw/zinc/47/84/66/819478466.db2.gz NFFJMFNMMURASN-OAHLLOKOSA-N 2 1 256.409 3.276 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206153701 813215370 /nfs/dbraw/zinc/21/53/70/813215370.db2.gz FCSZQBGTICSKNB-GJZGRUSLSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153701 813215378 /nfs/dbraw/zinc/21/53/78/813215378.db2.gz FCSZQBGTICSKNB-GJZGRUSLSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153701 813215383 /nfs/dbraw/zinc/21/53/83/813215383.db2.gz FCSZQBGTICSKNB-GJZGRUSLSA-N 2 1 258.425 3.498 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206153760 813217415 /nfs/dbraw/zinc/21/74/15/813217415.db2.gz FNGKDBVONFWEIE-BZUAXINKSA-N 2 1 266.404 3.050 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206153760 813217420 /nfs/dbraw/zinc/21/74/20/813217420.db2.gz FNGKDBVONFWEIE-BZUAXINKSA-N 2 1 266.404 3.050 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001206326315 813290464 /nfs/dbraw/zinc/29/04/64/813290464.db2.gz MWWGTPUWZNLBCQ-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001209199750 813962425 /nfs/dbraw/zinc/96/24/25/813962425.db2.gz AJWIWXNEQJEBGB-HZPDHXFCSA-N 2 1 290.476 3.468 20 30 CGEDMP C=CCCCC[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001209203240 813966751 /nfs/dbraw/zinc/96/67/51/813966751.db2.gz VPGJVNLITZSRLN-UHFFFAOYSA-N 2 1 252.446 3.395 20 30 CGEDMP N#Cc1ccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235175515 819024365 /nfs/dbraw/zinc/02/43/65/819024365.db2.gz WXQBZEDNRZHLME-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1ccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235175515 819024370 /nfs/dbraw/zinc/02/43/70/819024370.db2.gz WXQBZEDNRZHLME-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187420 819027743 /nfs/dbraw/zinc/02/77/43/819027743.db2.gz YCPOGAXQAFPVDW-LJFOUZCWSA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187420 819027750 /nfs/dbraw/zinc/02/77/50/819027750.db2.gz YCPOGAXQAFPVDW-LJFOUZCWSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341490 819072573 /nfs/dbraw/zinc/07/25/73/819072573.db2.gz PTKAVLZTKTVWQN-OAHLLOKOSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349043 819075993 /nfs/dbraw/zinc/07/59/93/819075993.db2.gz KRFIBDYPTIBQJA-RTBURBONSA-N 2 1 284.447 3.422 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404124 819085985 /nfs/dbraw/zinc/08/59/85/819085985.db2.gz MNYTZSHKNHBAGQ-JKSUJKDBSA-N 2 1 270.436 3.370 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001235433605 819096097 /nfs/dbraw/zinc/09/60/97/819096097.db2.gz KMZDKEXMVNRQTH-QGZVFWFLSA-N 2 1 262.441 3.220 20 30 CGEDMP N#CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235664289 819132632 /nfs/dbraw/zinc/13/26/32/819132632.db2.gz QCVHVMIVPFJIGF-MRXNPFEDSA-N 2 1 277.456 3.315 20 30 CGEDMP N#CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235664289 819132636 /nfs/dbraw/zinc/13/26/36/819132636.db2.gz QCVHVMIVPFJIGF-MRXNPFEDSA-N 2 1 277.456 3.315 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001235762417 819162963 /nfs/dbraw/zinc/16/29/63/819162963.db2.gz UEKRSOHZXLCJHT-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](CC)C1CC[NH2+]CC1 ZINC001235762417 819162966 /nfs/dbraw/zinc/16/29/66/819162966.db2.gz UEKRSOHZXLCJHT-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=CCCC[N@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269989 819411357 /nfs/dbraw/zinc/41/13/57/819411357.db2.gz OQZPBCGXBICCGC-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269989 819411361 /nfs/dbraw/zinc/41/13/61/819411361.db2.gz OQZPBCGXBICCGC-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199341 819955320 /nfs/dbraw/zinc/95/53/20/819955320.db2.gz RRAWLQLSLJIADH-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199341 819955324 /nfs/dbraw/zinc/95/53/24/819955324.db2.gz RRAWLQLSLJIADH-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354711698 937111018 /nfs/dbraw/zinc/11/10/18/937111018.db2.gz SPOXMNWBTJRDNW-MRXNPFEDSA-N 2 1 277.456 3.267 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462675275 937658772 /nfs/dbraw/zinc/65/87/72/937658772.db2.gz SILLBZNAGNCKMI-IPJUCJBFSA-N 2 1 299.462 3.320 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925403 933957853 /nfs/dbraw/zinc/95/78/53/933957853.db2.gz MJVWCPKIUIRUPD-APWZRJJASA-N 2 1 297.446 3.257 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC001334869283 936119977 /nfs/dbraw/zinc/11/99/77/936119977.db2.gz WTVTXXVVOWENJZ-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001574859808 962324477 /nfs/dbraw/zinc/32/44/77/962324477.db2.gz IZDYQRJYVMPZGJ-ZFWWWQNUSA-N 2 1 270.848 3.359 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576301209 962450540 /nfs/dbraw/zinc/45/05/40/962450540.db2.gz NHPSDXIYWOXNSR-JLSDUUJJSA-N 2 1 283.419 3.070 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000651725468 398276514 /nfs/dbraw/zinc/27/65/14/398276514.db2.gz DYOUCOABLBMDDC-ZSNVMCELSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000651725468 398276515 /nfs/dbraw/zinc/27/65/15/398276515.db2.gz DYOUCOABLBMDDC-ZSNVMCELSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000091512962 345817749 /nfs/dbraw/zinc/81/77/49/345817749.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000091512962 345817751 /nfs/dbraw/zinc/81/77/51/345817751.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000091512962 345817753 /nfs/dbraw/zinc/81/77/53/345817753.db2.gz XCYCIUKDRGLSTL-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP CC[N@@H+](CCC1CC[NH+](CC2(C#N)CC2)CC1)CC1CC1 ZINC000343579741 346505979 /nfs/dbraw/zinc/50/59/79/346505979.db2.gz DSEVRLKSWIZFKZ-UHFFFAOYSA-N 2 1 289.467 3.124 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000593714873 347106913 /nfs/dbraw/zinc/10/69/13/347106913.db2.gz FEJNWWGAWIRDRB-SFHVURJKSA-N 2 1 285.435 3.113 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000593714873 347106916 /nfs/dbraw/zinc/10/69/16/347106916.db2.gz FEJNWWGAWIRDRB-SFHVURJKSA-N 2 1 285.435 3.113 20 30 CGEDMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057215 347272524 /nfs/dbraw/zinc/27/25/24/347272524.db2.gz VGPXNYAIWGFCHT-SJLPKXTDSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097503 347382997 /nfs/dbraw/zinc/38/29/97/347382997.db2.gz YHCUQXDUACGOMI-QAPCUYQASA-N 2 1 297.446 3.331 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000596654277 347499401 /nfs/dbraw/zinc/49/94/01/347499401.db2.gz ZVZFGPQMWWYWTP-YESZJQIVSA-N 2 1 289.467 3.361 20 30 CGEDMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C#N ZINC000599279434 347731726 /nfs/dbraw/zinc/73/17/26/347731726.db2.gz OQHQJKRHZPPSBH-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C#N ZINC000599279434 347731729 /nfs/dbraw/zinc/73/17/29/347731729.db2.gz OQHQJKRHZPPSBH-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000599298048 347733276 /nfs/dbraw/zinc/73/32/76/347733276.db2.gz PEAWHBRRXJYWHR-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000599298048 347733279 /nfs/dbraw/zinc/73/32/79/347733279.db2.gz PEAWHBRRXJYWHR-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP C[C@H]1CCC[C@](C[NH2+]C2CCC(C#N)CC2)([NH+](C)C)C1 ZINC000602517714 347974392 /nfs/dbraw/zinc/97/43/92/347974392.db2.gz FAISYRBFSLTPEA-OTBWCIGPSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602523288 347975358 /nfs/dbraw/zinc/97/53/58/347975358.db2.gz AGPFUCVDRFEXGA-HKUYNNGSSA-N 2 1 299.462 3.428 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602727645 348019112 /nfs/dbraw/zinc/01/91/12/348019112.db2.gz FWDBRJKPYPSNLX-ZIFCJYIRSA-N 2 1 299.462 3.284 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609823366 348354729 /nfs/dbraw/zinc/35/47/29/348354729.db2.gz ADUIIVMRIZFAAX-WMLDXEAASA-N 2 1 280.375 3.153 20 30 CGEDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169641 348654258 /nfs/dbraw/zinc/65/42/58/348654258.db2.gz HSQHIWWHOIGJAL-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169641 348654262 /nfs/dbraw/zinc/65/42/62/348654262.db2.gz HSQHIWWHOIGJAL-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169641 348654263 /nfs/dbraw/zinc/65/42/63/348654263.db2.gz HSQHIWWHOIGJAL-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169641 348654266 /nfs/dbraw/zinc/65/42/66/348654266.db2.gz HSQHIWWHOIGJAL-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169641 348654269 /nfs/dbraw/zinc/65/42/69/348654269.db2.gz HSQHIWWHOIGJAL-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000358571185 233157425 /nfs/dbraw/zinc/15/74/25/233157425.db2.gz OOJIMSBESPKXAI-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000152987101 188057753 /nfs/dbraw/zinc/05/77/53/188057753.db2.gz YZOWKYZVIIKACQ-HNNXBMFYSA-N 2 1 276.424 3.231 20 30 CGEDMP C[C@H]1C[C@@H](N(C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933854 188289149 /nfs/dbraw/zinc/28/91/49/188289149.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933854 188289150 /nfs/dbraw/zinc/28/91/50/188289150.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933854 188289153 /nfs/dbraw/zinc/28/91/53/188289153.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933854 188289154 /nfs/dbraw/zinc/28/91/54/188289154.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933854 188289156 /nfs/dbraw/zinc/28/91/56/188289156.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 2 1 285.435 3.275 20 30 CGEDMP CCC(CC)CN(CCC#N)CC[C@H]1CCC[N@H+]1C ZINC000124935305 370929559 /nfs/dbraw/zinc/92/95/59/370929559.db2.gz QNPFJQSIMXLHBM-MRXNPFEDSA-N 2 1 265.445 3.123 20 30 CGEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319778 369646596 /nfs/dbraw/zinc/64/65/96/369646596.db2.gz XPHCTUXSMLRYIV-UHFFFAOYSA-N 2 1 297.446 3.302 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000130528160 371041238 /nfs/dbraw/zinc/04/12/38/371041238.db2.gz DPAKKWQYKAWQFV-MRXNPFEDSA-N 2 1 260.425 3.453 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000152967406 371739232 /nfs/dbraw/zinc/73/92/32/371739232.db2.gz VAIUFUFXOZPHIW-IBGZPJMESA-N 2 1 284.447 3.174 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000152935126 371735828 /nfs/dbraw/zinc/73/58/28/371735828.db2.gz ZDPZQDWPPDMPQK-GOSISDBHSA-N 2 1 288.410 3.443 20 30 CGEDMP C=CCOc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000161510742 372330935 /nfs/dbraw/zinc/33/09/35/372330935.db2.gz LKQXFZMWMOTOAR-HLLBOEOZSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000161510742 372330945 /nfs/dbraw/zinc/33/09/45/372330945.db2.gz LKQXFZMWMOTOAR-HLLBOEOZSA-N 2 1 288.435 3.070 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177200 /nfs/dbraw/zinc/17/72/00/217177200.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177202 /nfs/dbraw/zinc/17/72/02/217177202.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177204 /nfs/dbraw/zinc/17/72/04/217177204.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177207 /nfs/dbraw/zinc/17/72/07/217177207.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000432819344 372574574 /nfs/dbraw/zinc/57/45/74/372574574.db2.gz WXQKRNMGPRWIPP-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000432819344 372574578 /nfs/dbraw/zinc/57/45/78/372574578.db2.gz WXQKRNMGPRWIPP-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1C#N ZINC000443979584 373163247 /nfs/dbraw/zinc/16/32/47/373163247.db2.gz PCWXAAAPOMYHDF-UHFFFAOYSA-N 2 1 285.435 3.077 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480704031 375160868 /nfs/dbraw/zinc/16/08/68/375160868.db2.gz YVGXXVBTZHSOTG-JYJNAYRXSA-N 2 1 252.446 3.441 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000336373969 375783081 /nfs/dbraw/zinc/78/30/81/375783081.db2.gz ZSZBEHQNJWNCEB-FAFZWHIHSA-N 2 1 295.430 3.152 20 30 CGEDMP C[N@@H+]1CCCC12CC[NH+](CCC1(C#N)CCCCC1)CC2 ZINC000336279056 375771201 /nfs/dbraw/zinc/77/12/01/375771201.db2.gz RLNBSMRMJCIXRQ-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP C[N@H+]1CCCC12CC[NH+](CCC1(C#N)CCCCC1)CC2 ZINC000336279056 375771208 /nfs/dbraw/zinc/77/12/08/375771208.db2.gz RLNBSMRMJCIXRQ-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192921427 375803047 /nfs/dbraw/zinc/80/30/47/375803047.db2.gz XDRZAEUUUQXAQX-IPMKNSEASA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000510767265 375787948 /nfs/dbraw/zinc/78/79/48/375787948.db2.gz VQGZVZDWCCVIMI-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000510767265 375787953 /nfs/dbraw/zinc/78/79/53/375787953.db2.gz VQGZVZDWCCVIMI-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000510767265 375787956 /nfs/dbraw/zinc/78/79/56/375787956.db2.gz VQGZVZDWCCVIMI-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000520581734 375866062 /nfs/dbraw/zinc/86/60/62/375866062.db2.gz DHSUHCPSDPRLEV-UHFFFAOYSA-N 2 1 285.435 3.105 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000193906355 375938561 /nfs/dbraw/zinc/93/85/61/375938561.db2.gz MZHKHVMJYCIYGP-UHFFFAOYSA-N 2 1 290.476 3.160 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000544141238 376709306 /nfs/dbraw/zinc/70/93/06/376709306.db2.gz BQIZGRKTVDYNOC-UHFFFAOYSA-N 2 1 299.462 3.305 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCC#N)C1 ZINC000246367535 377014979 /nfs/dbraw/zinc/01/49/79/377014979.db2.gz LLFAZAREBGTOGV-SJORKVTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000246367535 377014985 /nfs/dbraw/zinc/01/49/85/377014985.db2.gz LLFAZAREBGTOGV-SJORKVTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000246367535 377014994 /nfs/dbraw/zinc/01/49/94/377014994.db2.gz LLFAZAREBGTOGV-SJORKVTESA-N 2 1 277.456 3.267 20 30 CGEDMP CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815564 377094778 /nfs/dbraw/zinc/09/47/78/377094778.db2.gz REZWONOPZNGQEG-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815564 377094783 /nfs/dbraw/zinc/09/47/83/377094783.db2.gz REZWONOPZNGQEG-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815564 377094790 /nfs/dbraw/zinc/09/47/90/377094790.db2.gz REZWONOPZNGQEG-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815564 377094796 /nfs/dbraw/zinc/09/47/96/377094796.db2.gz REZWONOPZNGQEG-RDJZCZTQSA-N 2 1 289.467 3.265 20 30 CGEDMP C=CC[C@@H]1[N@H+](C[C@H]2CCC[NH2+]C2)CCCC1(C)C ZINC000261875527 377863632 /nfs/dbraw/zinc/86/36/32/377863632.db2.gz VQIWYFJHGLWPRC-GJZGRUSLSA-N 2 1 250.430 3.053 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343550658 378017570 /nfs/dbraw/zinc/01/75/70/378017570.db2.gz AYOZXIKIBWAOHQ-UHFFFAOYSA-N 2 1 285.435 3.059 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638525311 378825791 /nfs/dbraw/zinc/82/57/91/378825791.db2.gz WXOUTFGACJYABO-OAGGEKHMSA-N 2 1 262.441 3.053 20 30 CGEDMP CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315019 379343754 /nfs/dbraw/zinc/34/37/54/379343754.db2.gz UIWAOHNOEBDYIK-KSZLIROESA-N 2 1 283.419 3.226 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315019 379343761 /nfs/dbraw/zinc/34/37/61/379343761.db2.gz UIWAOHNOEBDYIK-KSZLIROESA-N 2 1 283.419 3.226 20 30 CGEDMP C=CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000279938995 379558098 /nfs/dbraw/zinc/55/80/98/379558098.db2.gz JHCQFINFIZZPPX-UHFFFAOYSA-N 2 1 290.426 3.388 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431160 381743936 /nfs/dbraw/zinc/74/39/36/381743936.db2.gz CJZGXRLCJOHMMM-AEFFLSMTSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431160 381743938 /nfs/dbraw/zinc/74/39/38/381743938.db2.gz CJZGXRLCJOHMMM-AEFFLSMTSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092565257 392232187 /nfs/dbraw/zinc/23/21/87/392232187.db2.gz ARVJGKNMJFFCNS-HOTGVXAUSA-N 2 1 264.457 3.443 20 30 CGEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCCC#N ZINC000177557388 392662699 /nfs/dbraw/zinc/66/26/99/392662699.db2.gz VSPKRSSBDHKRFL-UHFFFAOYSA-N 2 1 287.451 3.428 20 30 CGEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356169292 393366469 /nfs/dbraw/zinc/36/64/69/393366469.db2.gz RHIRIEGYDGCRIJ-LLVKDONJSA-N 2 1 299.340 3.007 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000449605128 393917878 /nfs/dbraw/zinc/91/78/78/393917878.db2.gz MCFMXMKHHMCURA-JKSUJKDBSA-N 2 1 262.441 3.339 20 30 CGEDMP C=CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000661378492 419255482 /nfs/dbraw/zinc/25/54/82/419255482.db2.gz HOIVLLDTUHMYOD-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000661378492 419255486 /nfs/dbraw/zinc/25/54/86/419255486.db2.gz HOIVLLDTUHMYOD-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000661378492 419255489 /nfs/dbraw/zinc/25/54/89/419255489.db2.gz HOIVLLDTUHMYOD-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657531420 419299861 /nfs/dbraw/zinc/29/98/61/419299861.db2.gz YRFAFGTXAWMFGY-TWMKSMIVSA-N 2 1 262.441 3.338 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361435822 261270984 /nfs/dbraw/zinc/27/09/84/261270984.db2.gz OGWHVVRJGAUOQS-GVDBMIGSSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361435822 261270986 /nfs/dbraw/zinc/27/09/86/261270986.db2.gz OGWHVVRJGAUOQS-GVDBMIGSSA-N 2 1 277.456 3.169 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163399 262819378 /nfs/dbraw/zinc/81/93/78/262819378.db2.gz IMVHDDONCJDZAU-IRXDYDNUSA-N 2 1 285.435 3.351 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163399 262819379 /nfs/dbraw/zinc/81/93/79/262819379.db2.gz IMVHDDONCJDZAU-IRXDYDNUSA-N 2 1 285.435 3.351 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125795 263013117 /nfs/dbraw/zinc/01/31/17/263013117.db2.gz ANIQZWIFQYNBRB-CEXWTWQISA-N 2 1 297.446 3.180 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340298765 263106723 /nfs/dbraw/zinc/10/67/23/263106723.db2.gz OKWRTFGCTSKAAS-USXIJHARSA-N 2 1 258.409 3.376 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340298765 263106724 /nfs/dbraw/zinc/10/67/24/263106724.db2.gz OKWRTFGCTSKAAS-USXIJHARSA-N 2 1 258.409 3.376 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028281 288070425 /nfs/dbraw/zinc/07/04/25/288070425.db2.gz XXQYCZOJPZUFHD-SQNIBIBYSA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185796780 329331952 /nfs/dbraw/zinc/33/19/52/329331952.db2.gz QHLOVRYTKBWRIU-BPKGMFCQSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185796780 329331953 /nfs/dbraw/zinc/33/19/53/329331953.db2.gz QHLOVRYTKBWRIU-BPKGMFCQSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@H]1CCC[C@@](C[NH2+][C@@H]2CCC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000185793469 329332146 /nfs/dbraw/zinc/33/21/46/329332146.db2.gz GTHMGETYNDEVSE-MWDXBVQZSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500659 330208432 /nfs/dbraw/zinc/20/84/32/330208432.db2.gz CWZHFKTZFBXSFH-YESZJQIVSA-N 2 1 258.409 3.076 20 30 CGEDMP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC1 ZINC000439072885 330733415 /nfs/dbraw/zinc/73/34/15/330733415.db2.gz AIDLGOAWNVPXIH-HNNXBMFYSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685754 335378768 /nfs/dbraw/zinc/37/87/68/335378768.db2.gz QJZOYLZXHMYABR-AWEZNQCLSA-N 2 1 291.464 3.221 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923725 527425149 /nfs/dbraw/zinc/42/51/49/527425149.db2.gz OSAFPNKLKFZYMM-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@]1(C)CCCCO1 ZINC000902726617 621414206 /nfs/dbraw/zinc/41/42/06/621414206.db2.gz RHRMRZQWVJIRRH-ZWKOTPCHSA-N 2 1 294.483 3.354 20 30 CGEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735580 621418641 /nfs/dbraw/zinc/41/86/41/621418641.db2.gz GGVHYYDVSBMTHZ-QGZVFWFLSA-N 2 1 273.424 3.329 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753580 621425103 /nfs/dbraw/zinc/42/51/03/621425103.db2.gz QLICAXSXARVVTG-BZSNNMDCSA-N 2 1 283.419 3.226 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@]1(C)CCCCO1 ZINC000902783188 621439455 /nfs/dbraw/zinc/43/94/55/621439455.db2.gz ZYQSSDLRGGMITI-IAGOWNOFSA-N 2 1 291.439 3.075 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@]1(C)CCCCO1 ZINC000902795673 621450915 /nfs/dbraw/zinc/45/09/15/621450915.db2.gz FONBANJQWHASIK-BZSNNMDCSA-N 2 1 294.483 3.212 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903170034 621618300 /nfs/dbraw/zinc/61/83/00/621618300.db2.gz FKHWXLRMVNXSPA-VHRNVKJDSA-N 2 1 275.440 3.064 20 30 CGEDMP CCC[N@@H+](Cc1c(C)cc(C#N)cc1C)C1CC[NH2+]CC1 ZINC000903444982 621757626 /nfs/dbraw/zinc/75/76/26/621757626.db2.gz HDUABEVWFJSMME-UHFFFAOYSA-N 2 1 285.435 3.139 20 30 CGEDMP C=CCCC[N@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000903850711 621821081 /nfs/dbraw/zinc/82/10/81/621821081.db2.gz XQMDULOACUSMDS-MRXNPFEDSA-N 2 1 276.424 3.026 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311719 621903045 /nfs/dbraw/zinc/90/30/45/621903045.db2.gz ADNJOHQIJWMQOQ-SFHVURJKSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311719 621903049 /nfs/dbraw/zinc/90/30/49/621903049.db2.gz ADNJOHQIJWMQOQ-SFHVURJKSA-N 2 1 288.435 3.073 20 30 CGEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000764806609 627225624 /nfs/dbraw/zinc/22/56/24/627225624.db2.gz OKOOZCXIDPBDKU-MRXNPFEDSA-N 2 1 288.435 3.080 20 30 CGEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000764806609 627225627 /nfs/dbraw/zinc/22/56/27/627225627.db2.gz OKOOZCXIDPBDKU-MRXNPFEDSA-N 2 1 288.435 3.080 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000793520697 629474385 /nfs/dbraw/zinc/47/43/85/629474385.db2.gz HJVSYEVJEUMBQJ-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000815652773 631813598 /nfs/dbraw/zinc/81/35/98/631813598.db2.gz SCBBMHKDXBFQOP-KRWDZBQOSA-N 2 1 294.389 3.207 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000815652773 631813602 /nfs/dbraw/zinc/81/36/02/631813602.db2.gz SCBBMHKDXBFQOP-KRWDZBQOSA-N 2 1 294.389 3.207 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1ccsc1 ZINC000815652777 631813648 /nfs/dbraw/zinc/81/36/48/631813648.db2.gz SIGUTFPIEXMANM-OAHLLOKOSA-N 2 1 264.438 3.134 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1ccsc1 ZINC000815652777 631813652 /nfs/dbraw/zinc/81/36/52/631813652.db2.gz SIGUTFPIEXMANM-OAHLLOKOSA-N 2 1 264.438 3.134 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000815651831 631814451 /nfs/dbraw/zinc/81/44/51/631814451.db2.gz FNCIVWXYXUNHHK-CYBMUJFWSA-N 2 1 294.439 3.153 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000815651831 631814453 /nfs/dbraw/zinc/81/44/53/631814453.db2.gz FNCIVWXYXUNHHK-CYBMUJFWSA-N 2 1 294.439 3.153 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157999 634067059 /nfs/dbraw/zinc/06/70/59/634067059.db2.gz RGDUDPCJRFYDJO-HOCLYGCPSA-N 2 1 250.430 3.182 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873045420 634236308 /nfs/dbraw/zinc/23/63/08/634236308.db2.gz DYGYZEWTCNEPGX-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001252141956 806025184 /nfs/dbraw/zinc/02/51/84/806025184.db2.gz QTROEQFTWMQMIB-IKGGRYGDSA-N 2 1 284.488 3.028 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507258 806427109 /nfs/dbraw/zinc/42/71/09/806427109.db2.gz AFBLEWHWINYXHG-HZPDHXFCSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507258 806427116 /nfs/dbraw/zinc/42/71/16/806427116.db2.gz AFBLEWHWINYXHG-HZPDHXFCSA-N 2 1 288.435 3.386 20 30 CGEDMP C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC001255019623 806527553 /nfs/dbraw/zinc/52/75/53/806527553.db2.gz RURCURBEVGMFDT-XJKSGUPXSA-N 2 1 285.391 3.032 20 30 CGEDMP C=CCc1cc(C)c[nH+]c1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162459678 806588604 /nfs/dbraw/zinc/58/86/04/806588604.db2.gz FRZFAAHUBFXLLW-GDBMZVCRSA-N 2 1 273.424 3.166 20 30 CGEDMP N#CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385094 806630441 /nfs/dbraw/zinc/63/04/41/806630441.db2.gz DSJRDVZUKPTORB-SFHVURJKSA-N 2 1 285.435 3.325 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1ccccc1 ZINC000328192980 799249951 /nfs/dbraw/zinc/24/99/51/799249951.db2.gz QPXKRZZDGULHED-QGZVFWFLSA-N 2 1 258.409 3.073 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1ccccc1 ZINC000328192980 799249953 /nfs/dbraw/zinc/24/99/53/799249953.db2.gz QPXKRZZDGULHED-QGZVFWFLSA-N 2 1 258.409 3.073 20 30 CGEDMP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549262 803962882 /nfs/dbraw/zinc/96/28/82/803962882.db2.gz UEUKWAXNJLMKRI-INIZCTEOSA-N 2 1 279.387 3.026 20 30 CGEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549262 803962888 /nfs/dbraw/zinc/96/28/88/803962888.db2.gz UEUKWAXNJLMKRI-INIZCTEOSA-N 2 1 279.387 3.026 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020784 804100753 /nfs/dbraw/zinc/10/07/53/804100753.db2.gz MATSXLHZQORHCC-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246034130 804102165 /nfs/dbraw/zinc/10/21/65/804102165.db2.gz MPIRBFPUGXEMBA-IAGOWNOFSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133982 804158699 /nfs/dbraw/zinc/15/86/99/804158699.db2.gz KZHIYQWWDQXPRT-XHSDSOJGSA-N 2 1 252.446 3.467 20 30 CGEDMP N#Cc1ccc(C2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246167097 804183120 /nfs/dbraw/zinc/18/31/20/804183120.db2.gz COPWXXOIQLYPJO-CTWPCTMYSA-N 2 1 297.446 3.316 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246334353 804289590 /nfs/dbraw/zinc/28/95/90/804289590.db2.gz CKTCAKGULPRDSE-AWEZNQCLSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451571 804336637 /nfs/dbraw/zinc/33/66/37/804336637.db2.gz HREOLNCMHWJIOA-QGZVFWFLSA-N 3 1 285.520 3.434 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@H]([NH3+])CC3)CC2)cc1 ZINC001246549359 804398865 /nfs/dbraw/zinc/39/88/65/804398865.db2.gz WTQITGDHLISNDP-XBMUEBEBSA-N 2 1 297.446 3.398 20 30 CGEDMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588811 804432343 /nfs/dbraw/zinc/43/23/43/804432343.db2.gz AUCNRBSRZUXTLN-MOPGFXCFSA-N 2 1 297.446 3.227 20 30 CGEDMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588811 804432346 /nfs/dbraw/zinc/43/23/46/804432346.db2.gz AUCNRBSRZUXTLN-MOPGFXCFSA-N 2 1 297.446 3.227 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628521 804459100 /nfs/dbraw/zinc/45/91/00/804459100.db2.gz ZZRUMKNXTZVNGI-RCCFBDPRSA-N 2 1 296.499 3.436 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642126 804469110 /nfs/dbraw/zinc/46/91/10/804469110.db2.gz LKWOZXHKPWZJEM-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246816662 804531776 /nfs/dbraw/zinc/53/17/76/804531776.db2.gz KZJFGFXNFFVCRC-FUHWJXTLSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246816662 804531780 /nfs/dbraw/zinc/53/17/80/804531780.db2.gz KZJFGFXNFFVCRC-FUHWJXTLSA-N 2 1 282.431 3.140 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246938552 804609878 /nfs/dbraw/zinc/60/98/78/804609878.db2.gz NNNREPOHGGHNPQ-GVDBMIGSSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246938552 804609879 /nfs/dbraw/zinc/60/98/79/804609879.db2.gz NNNREPOHGGHNPQ-GVDBMIGSSA-N 2 1 284.488 3.300 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CC)C[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246942206 804612694 /nfs/dbraw/zinc/61/26/94/804612694.db2.gz NLYPKHHXAOGGTN-VPSFDDGASA-N 2 1 262.441 3.053 20 30 CGEDMP C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996081 807294461 /nfs/dbraw/zinc/29/44/61/807294461.db2.gz WGZGTLHASQNIQD-SJPCQFCGSA-N 2 1 260.425 3.066 20 30 CGEDMP C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996081 807294464 /nfs/dbraw/zinc/29/44/64/807294464.db2.gz WGZGTLHASQNIQD-SJPCQFCGSA-N 2 1 260.425 3.066 20 30 CGEDMP C#CCCCCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001262006975 807804911 /nfs/dbraw/zinc/80/49/11/807804911.db2.gz OCCFQOVDGIUBHG-UHFFFAOYSA-N 2 1 264.457 3.376 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963948 808161249 /nfs/dbraw/zinc/16/12/49/808161249.db2.gz GCUKXVUXLSUPFH-QGZVFWFLSA-N 2 1 284.447 3.431 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963948 808161252 /nfs/dbraw/zinc/16/12/52/808161252.db2.gz GCUKXVUXLSUPFH-QGZVFWFLSA-N 2 1 284.447 3.431 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103135 808174498 /nfs/dbraw/zinc/17/44/98/808174498.db2.gz SIQOWAYYWUJDGY-BCDXTJNWSA-N 2 1 297.446 3.398 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103135 808174503 /nfs/dbraw/zinc/17/45/03/808174503.db2.gz SIQOWAYYWUJDGY-BCDXTJNWSA-N 2 1 297.446 3.398 20 30 CGEDMP CCCCCCCCCC[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918937 812775804 /nfs/dbraw/zinc/77/58/04/812775804.db2.gz QDOOLDAEXNYMSG-PHZGNYQRSA-N 2 1 252.446 3.264 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603367 813019990 /nfs/dbraw/zinc/01/99/90/813019990.db2.gz ORHSMGBVXBABIQ-NVXWUHKLSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@H]1C[NH3+] ZINC001205626806 813033205 /nfs/dbraw/zinc/03/32/05/813033205.db2.gz JKBSZSLYSJVDRI-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205663704 813045901 /nfs/dbraw/zinc/04/59/01/813045901.db2.gz KFNGFEFYJYNUFY-KRWDZBQOSA-N 2 1 282.472 3.079 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206296357 813276196 /nfs/dbraw/zinc/27/61/96/813276196.db2.gz RTRFASSGEGPNBK-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001206573788 813359720 /nfs/dbraw/zinc/35/97/20/813359720.db2.gz NZTYAKHWYRVVKY-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001206573788 813359726 /nfs/dbraw/zinc/35/97/26/813359726.db2.gz NZTYAKHWYRVVKY-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C#Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001206589981 813367496 /nfs/dbraw/zinc/36/74/96/813367496.db2.gz JZZGVDKHJRYYHD-GOSISDBHSA-N 2 1 270.420 3.020 20 30 CGEDMP N#Cc1cccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001208844011 813864177 /nfs/dbraw/zinc/86/41/77/813864177.db2.gz DHXPJUBDYMZWPC-UHFFFAOYSA-N 2 1 297.446 3.051 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209428513 814030070 /nfs/dbraw/zinc/03/00/70/814030070.db2.gz IZOWFCAHIOCYKO-GOSISDBHSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209428513 814030074 /nfs/dbraw/zinc/03/00/74/814030074.db2.gz IZOWFCAHIOCYKO-GOSISDBHSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209440123 814038680 /nfs/dbraw/zinc/03/86/80/814038680.db2.gz BPRPWBZPHCUTMV-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209440123 814038684 /nfs/dbraw/zinc/03/86/84/814038684.db2.gz BPRPWBZPHCUTMV-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001209440123 814038689 /nfs/dbraw/zinc/03/86/89/814038689.db2.gz BPRPWBZPHCUTMV-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP CCCCCCCCC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400702 816433432 /nfs/dbraw/zinc/43/34/32/816433432.db2.gz DTAGLDJHYOWSRJ-UHFFFAOYSA-N 2 1 296.499 3.439 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614231 816478869 /nfs/dbraw/zinc/47/88/69/816478869.db2.gz CJMGPFOUGCAGJG-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186847 819028112 /nfs/dbraw/zinc/02/81/12/819028112.db2.gz NKPQHXJVPUGNMV-CVEARBPZSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235256727 819053307 /nfs/dbraw/zinc/05/33/07/819053307.db2.gz SVBKXWDAVVONPB-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235404122 819085858 /nfs/dbraw/zinc/08/58/58/819085858.db2.gz MNYTZSHKNHBAGQ-HOTGVXAUSA-N 2 1 270.436 3.370 20 30 CGEDMP C=CCC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235703429 819146450 /nfs/dbraw/zinc/14/64/50/819146450.db2.gz VEOAAFLRNHFIBP-KRWDZBQOSA-N 2 1 288.435 3.179 20 30 CGEDMP C=CCC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235703429 819146454 /nfs/dbraw/zinc/14/64/54/819146454.db2.gz VEOAAFLRNHFIBP-KRWDZBQOSA-N 2 1 288.435 3.179 20 30 CGEDMP C=CCCCCCCC[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946774 819236244 /nfs/dbraw/zinc/23/62/44/819236244.db2.gz SGAWCDDRAUCNKM-UHFFFAOYSA-N 2 1 282.472 3.213 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236224264 819389242 /nfs/dbraw/zinc/38/92/42/819389242.db2.gz SVXAUBMTNFMZRW-BRWVUGGUSA-N 2 1 262.441 3.491 20 30 CGEDMP C#CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001352112776 937036973 /nfs/dbraw/zinc/03/69/73/937036973.db2.gz PCCNOQBFWOIWOR-BZSNNMDCSA-N 2 1 276.468 3.232 20 30 CGEDMP C#CCCCNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001162445853 931988609 /nfs/dbraw/zinc/98/86/09/931988609.db2.gz QRFLNCFOSLUYEL-INIZCTEOSA-N 2 1 296.418 3.176 20 30 CGEDMP C#CCCCCCC[NH2+]CC[N@H+]1CCCC1(C)C ZINC001308815408 933183111 /nfs/dbraw/zinc/18/31/11/933183111.db2.gz MXJKDEPFWRYYEU-UHFFFAOYSA-N 2 1 250.430 3.034 20 30 CGEDMP C#CCCCCCC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001308815408 933183114 /nfs/dbraw/zinc/18/31/14/933183114.db2.gz MXJKDEPFWRYYEU-UHFFFAOYSA-N 2 1 250.430 3.034 20 30 CGEDMP C=C(C)[C@@H]([NH2+]C[C@]1(C)CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001574831601 962319921 /nfs/dbraw/zinc/31/99/21/962319921.db2.gz UBSHVHFCHKBYSH-HZPDHXFCSA-N 2 1 280.362 3.171 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651700452 398271387 /nfs/dbraw/zinc/27/13/87/398271387.db2.gz FTWRUVBFRQPMFQ-INIZCTEOSA-N 2 1 282.472 3.068 20 30 CGEDMP C[N@@H+](CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000590780338 346875556 /nfs/dbraw/zinc/87/55/56/346875556.db2.gz OLMQGBJJIYQKCS-IBGZPJMESA-N 2 1 297.446 3.400 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000591576962 346929076 /nfs/dbraw/zinc/92/90/76/346929076.db2.gz MNYAQTAVLGIYDZ-MOPGFXCFSA-N 2 1 297.446 3.433 20 30 CGEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000591578035 346930176 /nfs/dbraw/zinc/93/01/76/346930176.db2.gz OJPQADLLZOZEFW-XBMUEBEBSA-N 2 1 297.446 3.122 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593716530 347106418 /nfs/dbraw/zinc/10/64/18/347106418.db2.gz RQNXECJAKGWFAJ-AWEZNQCLSA-N 2 1 291.414 3.326 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593716530 347106420 /nfs/dbraw/zinc/10/64/20/347106420.db2.gz RQNXECJAKGWFAJ-AWEZNQCLSA-N 2 1 291.414 3.326 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000594978309 347247277 /nfs/dbraw/zinc/24/72/77/347247277.db2.gz SBFBYWLYJHLWKC-PQUAAJSLSA-N 2 1 289.467 3.455 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000594978309 347247280 /nfs/dbraw/zinc/24/72/80/347247280.db2.gz SBFBYWLYJHLWKC-PQUAAJSLSA-N 2 1 289.467 3.455 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602529764 347976455 /nfs/dbraw/zinc/97/64/55/347976455.db2.gz OSVIKEWNRIEKKU-OAGGEKHMSA-N 2 1 279.472 3.272 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000602514449 347973543 /nfs/dbraw/zinc/97/35/43/347973543.db2.gz JNCICZOIHHRFLY-JKSUJKDBSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602595900 347990782 /nfs/dbraw/zinc/99/07/82/347990782.db2.gz GDYZVLIBVJVPSC-SOEBMCCKSA-N 2 1 289.467 3.311 20 30 CGEDMP N#CC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602649952 348001568 /nfs/dbraw/zinc/00/15/68/348001568.db2.gz QVHOQHHGJFPCBR-CUYAVPTFSA-N 2 1 297.446 3.180 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000614397253 348673141 /nfs/dbraw/zinc/67/31/41/348673141.db2.gz GIRGMFUQUGUDJP-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674274 /nfs/dbraw/zinc/67/42/74/348674274.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674277 /nfs/dbraw/zinc/67/42/77/348674277.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674279 /nfs/dbraw/zinc/67/42/79/348674279.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000618888403 349176357 /nfs/dbraw/zinc/17/63/57/349176357.db2.gz XHXDUJVUURFBNP-PMPSAXMXSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000153028352 188059436 /nfs/dbraw/zinc/05/94/36/188059436.db2.gz GIGXSNBEIOQSBE-OAHLLOKOSA-N 2 1 288.435 3.386 20 30 CGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000179670338 189211951 /nfs/dbraw/zinc/21/19/51/189211951.db2.gz NBMSKULJOSDXDA-UONOGXRCSA-N 2 1 282.391 3.050 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000035015371 368989897 /nfs/dbraw/zinc/98/98/97/368989897.db2.gz AYDOSIGLNSQOOL-UHFFFAOYSA-N 2 1 288.435 3.217 20 30 CGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109704 369930765 /nfs/dbraw/zinc/93/07/65/369930765.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=C(C)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109704 369930770 /nfs/dbraw/zinc/93/07/70/369930770.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=C(C)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109704 369930775 /nfs/dbraw/zinc/93/07/75/369930775.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090883651 370069481 /nfs/dbraw/zinc/06/94/81/370069481.db2.gz SOBHNLLKXWRJNK-OAHLLOKOSA-N 2 1 299.418 3.424 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229280 370321212 /nfs/dbraw/zinc/32/12/12/370321212.db2.gz LRTCDRSGGZSASK-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000133125741 371229130 /nfs/dbraw/zinc/22/91/30/371229130.db2.gz USIYLOHVRSISLO-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000287565701 371675756 /nfs/dbraw/zinc/67/57/56/371675756.db2.gz QKFBJOISYZOFQW-CABCVRRESA-N 2 1 285.391 3.336 20 30 CGEDMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174249985 373276555 /nfs/dbraw/zinc/27/65/55/373276555.db2.gz BUONPZYWQYLUAU-UHFFFAOYSA-N 2 1 297.402 3.283 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000449094152 373661555 /nfs/dbraw/zinc/66/15/55/373661555.db2.gz QNCGACHJULKSGN-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP N#CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000449445769 373724976 /nfs/dbraw/zinc/72/49/76/373724976.db2.gz LRNHJKTYZRHLLY-LPHOPBHVSA-N 2 1 297.446 3.323 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000183370440 374405861 /nfs/dbraw/zinc/40/58/61/374405861.db2.gz UZNGCYPOYTYLBE-SFHVURJKSA-N 2 1 285.435 3.495 20 30 CGEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCC#N)C1 ZINC000246367524 377015290 /nfs/dbraw/zinc/01/52/90/377015290.db2.gz LLFAZAREBGTOGV-IRXDYDNUSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000246367524 377015299 /nfs/dbraw/zinc/01/52/99/377015299.db2.gz LLFAZAREBGTOGV-IRXDYDNUSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000246367524 377015307 /nfs/dbraw/zinc/01/53/07/377015307.db2.gz LLFAZAREBGTOGV-IRXDYDNUSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000343731961 378077398 /nfs/dbraw/zinc/07/73/98/378077398.db2.gz HEIZVCIIBYXOJA-UHFFFAOYSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000578549536 378079932 /nfs/dbraw/zinc/07/99/32/378079932.db2.gz QJXNJLXXNHFYDI-XHSDSOJGSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000578549535 378079960 /nfs/dbraw/zinc/07/99/60/378079960.db2.gz QJXNJLXXNHFYDI-OAGGEKHMSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271911775 378514933 /nfs/dbraw/zinc/51/49/33/378514933.db2.gz DZIPZIIZPDTLEB-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000353076397 380105299 /nfs/dbraw/zinc/10/52/99/380105299.db2.gz BDPFQZGBWMCTTN-AWEZNQCLSA-N 2 1 253.434 3.026 20 30 CGEDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000353076397 380105307 /nfs/dbraw/zinc/10/53/07/380105307.db2.gz BDPFQZGBWMCTTN-AWEZNQCLSA-N 2 1 253.434 3.026 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353389602 380206399 /nfs/dbraw/zinc/20/63/99/380206399.db2.gz SLSVCNBYMCCBPC-IBGZPJMESA-N 2 1 295.430 3.176 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290579178 392450663 /nfs/dbraw/zinc/45/06/63/392450663.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290579178 392450667 /nfs/dbraw/zinc/45/06/67/392450667.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290579178 392450674 /nfs/dbraw/zinc/45/06/74/392450674.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290579178 392450679 /nfs/dbraw/zinc/45/06/79/392450679.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183499900 392755858 /nfs/dbraw/zinc/75/58/58/392755858.db2.gz OWAQBTWLFWAXJE-AWEZNQCLSA-N 2 1 274.408 3.083 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249361 393315598 /nfs/dbraw/zinc/31/55/98/393315598.db2.gz MLJMUVFINADHJX-CRAIPNDOSA-N 2 1 283.419 3.083 20 30 CGEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423272900 393657807 /nfs/dbraw/zinc/65/78/07/393657807.db2.gz ZPPMOZJNRJKSIV-FUHWJXTLSA-N 2 1 285.435 3.289 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158698098 287131217 /nfs/dbraw/zinc/13/12/17/287131217.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158698098 287131219 /nfs/dbraw/zinc/13/12/19/287131219.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158698098 287131222 /nfs/dbraw/zinc/13/12/22/287131222.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412722 543787294 /nfs/dbraw/zinc/78/72/94/543787294.db2.gz RLDQYYYZDRRBHU-ZIFCJYIRSA-N 2 1 284.447 3.289 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412722 543787296 /nfs/dbraw/zinc/78/72/96/543787296.db2.gz RLDQYYYZDRRBHU-ZIFCJYIRSA-N 2 1 284.447 3.289 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257733 419095834 /nfs/dbraw/zinc/09/58/34/419095834.db2.gz SLOOJRHMFVQCFS-KBRIMQKVSA-N 2 1 276.399 3.216 20 30 CGEDMP C=CCCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662695 419178865 /nfs/dbraw/zinc/17/88/65/419178865.db2.gz LLRQXAUCKSDFFM-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662695 419178866 /nfs/dbraw/zinc/17/88/66/419178866.db2.gz LLRQXAUCKSDFFM-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662695 419178870 /nfs/dbraw/zinc/17/88/70/419178870.db2.gz LLRQXAUCKSDFFM-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000657889527 419412887 /nfs/dbraw/zinc/41/28/87/419412887.db2.gz MSGQTJWTQQOGAL-JJXSEGSLSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000657889527 419412892 /nfs/dbraw/zinc/41/28/92/419412892.db2.gz MSGQTJWTQQOGAL-JJXSEGSLSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000657824736 419374251 /nfs/dbraw/zinc/37/42/51/419374251.db2.gz KMRCTYKEKRZLQI-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830179 419377003 /nfs/dbraw/zinc/37/70/03/419377003.db2.gz MTFXPGGLIJTKNF-PBHICJAKSA-N 2 1 262.441 3.338 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000037786274 260118260 /nfs/dbraw/zinc/11/82/60/260118260.db2.gz DEXUHMKEHXEJAK-AWEZNQCLSA-N 2 1 285.435 3.472 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361435824 261270969 /nfs/dbraw/zinc/27/09/69/261270969.db2.gz OGWHVVRJGAUOQS-YESZJQIVSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361435824 261270971 /nfs/dbraw/zinc/27/09/71/261270971.db2.gz OGWHVVRJGAUOQS-YESZJQIVSA-N 2 1 277.456 3.169 20 30 CGEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(C)(C)C#N ZINC000281195482 263066946 /nfs/dbraw/zinc/06/69/46/263066946.db2.gz CCJSJXSZOXZHQN-UHFFFAOYSA-N 2 1 299.462 3.405 20 30 CGEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(C)(C)C#N ZINC000281195482 263066947 /nfs/dbraw/zinc/06/69/47/263066947.db2.gz CCJSJXSZOXZHQN-UHFFFAOYSA-N 2 1 299.462 3.405 20 30 CGEDMP C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000341888744 263364396 /nfs/dbraw/zinc/36/43/96/263364396.db2.gz QLUYGEIBSAJTKA-HOCLYGCPSA-N 2 1 299.418 3.016 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000161510652 264288278 /nfs/dbraw/zinc/28/82/78/264288278.db2.gz LKQXFZMWMOTOAR-BFYDXBDKSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000161510652 264288279 /nfs/dbraw/zinc/28/82/79/264288279.db2.gz LKQXFZMWMOTOAR-BFYDXBDKSA-N 2 1 288.435 3.070 20 30 CGEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068232 /nfs/dbraw/zinc/06/82/32/277068232.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068233 /nfs/dbraw/zinc/06/82/33/277068233.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC[C@@H]21 ZINC000334557484 277068234 /nfs/dbraw/zinc/06/82/34/277068234.db2.gz HILARIDLGOBJJP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000154317819 277386123 /nfs/dbraw/zinc/38/61/23/277386123.db2.gz TXNBENKSXAHYHU-HNNXBMFYSA-N 2 1 285.435 3.329 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1C ZINC000340450990 328279157 /nfs/dbraw/zinc/27/91/57/328279157.db2.gz YVTCCMPBABQLLI-NXHRZFHOSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000340450990 328279158 /nfs/dbraw/zinc/27/91/58/328279158.db2.gz YVTCCMPBABQLLI-NXHRZFHOSA-N 2 1 285.435 3.494 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000089425761 330384970 /nfs/dbraw/zinc/38/49/70/330384970.db2.gz FTJFGCUYRFFKOB-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000089425761 330384971 /nfs/dbraw/zinc/38/49/71/330384971.db2.gz FTJFGCUYRFFKOB-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000089425761 330384972 /nfs/dbraw/zinc/38/49/72/330384972.db2.gz FTJFGCUYRFFKOB-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000089425761 330384973 /nfs/dbraw/zinc/38/49/73/330384973.db2.gz FTJFGCUYRFFKOB-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488469317 332012337 /nfs/dbraw/zinc/01/23/37/332012337.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000488469317 332012339 /nfs/dbraw/zinc/01/23/39/332012339.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 2 1 264.457 3.397 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000183140315 333119138 /nfs/dbraw/zinc/11/91/38/333119138.db2.gz LNDBNEAVYYSLKK-ZMSDIMECSA-N 2 1 264.457 3.441 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185776584 333148425 /nfs/dbraw/zinc/14/84/25/333148425.db2.gz KYEUNDGDCLWWIE-OKZBNKHCSA-N 2 1 291.483 3.415 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000187220270 333168595 /nfs/dbraw/zinc/16/85/95/333168595.db2.gz RDGJZLTZAOVFFH-RDJZCZTQSA-N 2 1 262.441 3.219 20 30 CGEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135188830 334119446 /nfs/dbraw/zinc/11/94/46/334119446.db2.gz PMCYJXBLNFNWQM-OAHLLOKOSA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(CC)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354881577 526849590 /nfs/dbraw/zinc/84/95/90/526849590.db2.gz UVFCQZYDPADHNI-UHFFFAOYSA-N 2 1 273.424 3.196 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC#Cc2ccccc2)C1 ZINC000892583262 618867508 /nfs/dbraw/zinc/86/75/08/618867508.db2.gz BNFGTRNDPZPLLX-GOSISDBHSA-N 2 1 284.447 3.140 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380035 619817005 /nfs/dbraw/zinc/81/70/05/619817005.db2.gz XCIBOXLKRHMLEA-YJBOKZPZSA-N 2 1 285.435 3.110 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@]1(C)CCCCO1 ZINC000902753658 621425156 /nfs/dbraw/zinc/42/51/56/621425156.db2.gz RPNUASOPEHLLLV-SQNIBIBYSA-N 2 1 294.483 3.212 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903453754 621761047 /nfs/dbraw/zinc/76/10/47/621761047.db2.gz KNRYJBXZPDPJCS-PKOBYXMFSA-N 2 1 297.446 3.139 20 30 CGEDMP N#CC1(CCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)CCC1 ZINC000903713582 621798069 /nfs/dbraw/zinc/79/80/69/621798069.db2.gz WRGWITGCZWLEQF-UHFFFAOYSA-N 2 1 275.440 3.067 20 30 CGEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811544 621814017 /nfs/dbraw/zinc/81/40/17/621814017.db2.gz MSKKDNJXVMPVNS-KRWDZBQOSA-N 2 1 283.419 3.042 20 30 CGEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811544 621814021 /nfs/dbraw/zinc/81/40/21/621814021.db2.gz MSKKDNJXVMPVNS-KRWDZBQOSA-N 2 1 283.419 3.042 20 30 CGEDMP C=CCCC[N@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000903850710 621821231 /nfs/dbraw/zinc/82/12/31/621821231.db2.gz XQMDULOACUSMDS-INIZCTEOSA-N 2 1 276.424 3.026 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697796 623512773 /nfs/dbraw/zinc/51/27/73/623512773.db2.gz VFVORXMDNKQUIW-QGZVFWFLSA-N 2 1 297.446 3.093 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921915342 625927551 /nfs/dbraw/zinc/92/75/51/625927551.db2.gz TYJKFLSGCZLVEW-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921915342 625927562 /nfs/dbraw/zinc/92/75/62/625927562.db2.gz TYJKFLSGCZLVEW-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000788479281 629057993 /nfs/dbraw/zinc/05/79/93/629057993.db2.gz QMZIPRZOYPJCAB-UHFFFAOYSA-N 2 1 276.399 3.156 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000815652655 631813469 /nfs/dbraw/zinc/81/34/69/631813469.db2.gz LPYWWGUNNJONCX-HNNXBMFYSA-N 2 1 278.465 3.380 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000815652655 631813477 /nfs/dbraw/zinc/81/34/77/631813477.db2.gz LPYWWGUNNJONCX-HNNXBMFYSA-N 2 1 278.465 3.380 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000817959490 632255350 /nfs/dbraw/zinc/25/53/50/632255350.db2.gz GQLYQNXMVQNJEY-LRDDRELGSA-N 2 1 294.826 3.206 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000817979722 632270272 /nfs/dbraw/zinc/27/02/72/632270272.db2.gz NSLYYNVLSHSYFR-JSGCOSHPSA-N 2 1 282.815 3.206 20 30 CGEDMP C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000834901294 634277523 /nfs/dbraw/zinc/27/75/23/634277523.db2.gz ZEXJOYDTZVCSQZ-MQVJKMGUSA-N 2 1 262.441 3.338 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000876915986 634928467 /nfs/dbraw/zinc/92/84/67/634928467.db2.gz GQSBCHBRWSROQP-HNNXBMFYSA-N 2 1 261.413 3.001 20 30 CGEDMP C[N@H+]1CC[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576145 635814606 /nfs/dbraw/zinc/81/46/06/635814606.db2.gz QKNFUMCNTVZMDS-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576145 635814609 /nfs/dbraw/zinc/81/46/09/635814609.db2.gz QKNFUMCNTVZMDS-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576145 635814615 /nfs/dbraw/zinc/81/46/15/635814615.db2.gz QKNFUMCNTVZMDS-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576145 635814616 /nfs/dbraw/zinc/81/46/16/635814616.db2.gz QKNFUMCNTVZMDS-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576145 635814621 /nfs/dbraw/zinc/81/46/21/635814621.db2.gz QKNFUMCNTVZMDS-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCCO1 ZINC000883185912 636572544 /nfs/dbraw/zinc/57/25/44/636572544.db2.gz GRCRMGSDWQHVDP-BZSNNMDCSA-N 2 1 294.483 3.210 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848894932 636679111 /nfs/dbraw/zinc/67/91/11/636679111.db2.gz ICKILYHGOFGDOF-UHFFFAOYSA-N 2 1 288.435 3.085 20 30 CGEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304495787 640864578 /nfs/dbraw/zinc/86/45/78/640864578.db2.gz NMKPAVBIEIMLSY-UHFFFAOYSA-N 2 1 290.455 3.269 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001253243534 806193875 /nfs/dbraw/zinc/19/38/75/806193875.db2.gz WYLWGKUJHAWGAW-SFHVURJKSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001253243534 806193880 /nfs/dbraw/zinc/19/38/80/806193880.db2.gz WYLWGKUJHAWGAW-SFHVURJKSA-N 2 1 296.499 3.290 20 30 CGEDMP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508449 806427762 /nfs/dbraw/zinc/42/77/62/806427762.db2.gz QWSJYKXKKVGUQS-IAGOWNOFSA-N 2 1 271.408 3.083 20 30 CGEDMP N#C[C@H]1CC[C@@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254655288 806476356 /nfs/dbraw/zinc/47/63/56/806476356.db2.gz CQICYENHXVJAPK-NXNVCVFFSA-N 2 1 275.440 3.193 20 30 CGEDMP N#CC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399677 806633052 /nfs/dbraw/zinc/63/30/52/806633052.db2.gz XDJCSSVHTQQPMZ-IBGZPJMESA-N 2 1 297.446 3.277 20 30 CGEDMP C#C[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406069 806634440 /nfs/dbraw/zinc/63/44/40/806634440.db2.gz OZIOWKPEONTLIV-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406069 806634444 /nfs/dbraw/zinc/63/44/44/806634444.db2.gz OZIOWKPEONTLIV-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406069 806634448 /nfs/dbraw/zinc/63/44/48/806634448.db2.gz OZIOWKPEONTLIV-ICSRJNTNSA-N 2 1 296.458 3.386 20 30 CGEDMP C=CC[N@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404487 806635754 /nfs/dbraw/zinc/63/57/54/806635754.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404487 806635757 /nfs/dbraw/zinc/63/57/57/806635757.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404487 806635760 /nfs/dbraw/zinc/63/57/60/806635760.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000328284470 799252228 /nfs/dbraw/zinc/25/22/28/799252228.db2.gz QDQXJVFZPQGHJB-UHFFFAOYSA-N 2 1 262.441 3.034 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000328284470 799252235 /nfs/dbraw/zinc/25/22/35/799252235.db2.gz QDQXJVFZPQGHJB-UHFFFAOYSA-N 2 1 262.441 3.034 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000392879246 799483759 /nfs/dbraw/zinc/48/37/59/799483759.db2.gz RHTZSXNPMUDVSI-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000392879246 799483762 /nfs/dbraw/zinc/48/37/62/799483762.db2.gz RHTZSXNPMUDVSI-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP CCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403311826 799565174 /nfs/dbraw/zinc/56/51/74/799565174.db2.gz XYAIDLCQUNLUHM-CYBMUJFWSA-N 2 1 262.388 3.263 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001138547139 803965363 /nfs/dbraw/zinc/96/53/63/803965363.db2.gz FXCGFPKDZQOCHK-INIZCTEOSA-N 2 1 294.402 3.306 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001138547139 803965369 /nfs/dbraw/zinc/96/53/69/803965369.db2.gz FXCGFPKDZQOCHK-INIZCTEOSA-N 2 1 294.402 3.306 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246036944 804102128 /nfs/dbraw/zinc/10/21/28/804102128.db2.gz CZJSRYAEFVXBPE-QGZVFWFLSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246048210 804103868 /nfs/dbraw/zinc/10/38/68/804103868.db2.gz YPKYTAFZPVOLDY-IRXDYDNUSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001246057735 804104590 /nfs/dbraw/zinc/10/45/90/804104590.db2.gz GMBWPWWEEJDJED-SJORKVTESA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246048213 804105146 /nfs/dbraw/zinc/10/51/46/804105146.db2.gz YPKYTAFZPVOLDY-SJORKVTESA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246066806 804106738 /nfs/dbraw/zinc/10/67/38/804106738.db2.gz RSGJRXRMGPKENH-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246066806 804106742 /nfs/dbraw/zinc/10/67/42/804106742.db2.gz RSGJRXRMGPKENH-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@@H](N)CCC[NH3+] ZINC001246299378 804265696 /nfs/dbraw/zinc/26/56/96/804265696.db2.gz HQSWBBTUNASOQI-LSDHHAIUSA-N 3 1 257.466 3.129 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@H](N)CCC[NH3+] ZINC001246299373 804266636 /nfs/dbraw/zinc/26/66/36/804266636.db2.gz HQSWBBTUNASOQI-GJZGRUSLSA-N 3 1 257.466 3.129 20 30 CGEDMP C#CC1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC001246461561 804341259 /nfs/dbraw/zinc/34/12/59/804341259.db2.gz DEMRDEVVLIOEHM-ROUUACIJSA-N 2 1 282.431 3.405 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246490640 804358027 /nfs/dbraw/zinc/35/80/27/804358027.db2.gz FLWCOMBVFUMLTE-IRXDYDNUSA-N 2 1 283.504 3.057 20 30 CGEDMP CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246493248 804359096 /nfs/dbraw/zinc/35/90/96/804359096.db2.gz YMFQEPXMGIYJNU-MSOLQXFVSA-N 2 1 297.531 3.447 20 30 CGEDMP CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246495605 804360091 /nfs/dbraw/zinc/36/00/91/804360091.db2.gz KSBPZHXZLFQWDQ-MSOLQXFVSA-N 2 1 297.531 3.447 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650458 804478616 /nfs/dbraw/zinc/47/86/16/804478616.db2.gz IIZDNUVXQKPOMF-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650458 804478621 /nfs/dbraw/zinc/47/86/21/804478621.db2.gz IIZDNUVXQKPOMF-VQIMIIECSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246658525 804482282 /nfs/dbraw/zinc/48/22/82/804482282.db2.gz CNPVNVNXDQWTPN-LVQVYYBASA-N 2 1 252.446 3.405 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246799405 804521037 /nfs/dbraw/zinc/52/10/37/804521037.db2.gz ZDCMARMIRKNDGL-NVXWUHKLSA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(C)C[N@H+](CC)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246848717 804558172 /nfs/dbraw/zinc/55/81/72/804558172.db2.gz CYOFKMNILCFURR-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246866671 804569181 /nfs/dbraw/zinc/56/91/81/804569181.db2.gz DYUJPFMGQQUMEU-QZTJIDSGSA-N 2 1 295.515 3.233 20 30 CGEDMP C#Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1 ZINC001144573943 805008475 /nfs/dbraw/zinc/00/84/75/805008475.db2.gz UYIQZWFVVWRPDI-UHFFFAOYSA-N 2 1 284.447 3.220 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[N@H+](C)CC3)C[C@H](C1)C2 ZINC001257886406 807237994 /nfs/dbraw/zinc/23/79/94/807237994.db2.gz DTOGCCKSRZXHSX-TVXGVJEUSA-N 2 1 262.441 3.195 20 30 CGEDMP C=CCC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723508 807570998 /nfs/dbraw/zinc/57/09/98/807570998.db2.gz WWKHDSOWDSBQMV-DZKIICNBSA-N 2 1 250.430 3.466 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258732930 807579692 /nfs/dbraw/zinc/57/96/92/807579692.db2.gz FBSWYKMYUFAAOE-YTQUADARSA-N 2 1 284.447 3.405 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001258732930 807579694 /nfs/dbraw/zinc/57/96/94/807579694.db2.gz FBSWYKMYUFAAOE-YTQUADARSA-N 2 1 284.447 3.405 20 30 CGEDMP C=C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169122821 807582699 /nfs/dbraw/zinc/58/26/99/807582699.db2.gz FGRRAXZWWNQLOV-YYIAUSFCSA-N 2 1 256.393 3.129 20 30 CGEDMP C=C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169122821 807582702 /nfs/dbraw/zinc/58/27/02/807582702.db2.gz FGRRAXZWWNQLOV-YYIAUSFCSA-N 2 1 256.393 3.129 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001171179251 808001112 /nfs/dbraw/zinc/00/11/12/808001112.db2.gz PTZQWMACQGIVOK-INIZCTEOSA-N 2 1 299.462 3.473 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001171202247 808009530 /nfs/dbraw/zinc/00/95/30/808009530.db2.gz YJCFYZHOEDVWMY-SJORKVTESA-N 2 1 299.462 3.330 20 30 CGEDMP CC1(C)C[C@@H]([NH2+]CCCS)CC[N@H+]1Cc1ccccc1 ZINC001171974390 808162657 /nfs/dbraw/zinc/16/26/57/808162657.db2.gz FMYVEOVMIGNXQO-INIZCTEOSA-N 2 1 292.492 3.339 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001172308609 808222688 /nfs/dbraw/zinc/22/26/88/808222688.db2.gz LLQLLPHMVXWBTN-GPMSIDNRSA-N 2 1 299.462 3.198 20 30 CGEDMP C[C@H](CCCC#N)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488217 808349271 /nfs/dbraw/zinc/34/92/71/808349271.db2.gz RJZZTKGYNNHFSG-FVQBIDKESA-N 2 1 263.429 3.051 20 30 CGEDMP N#CCC1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332100 808616059 /nfs/dbraw/zinc/61/60/59/808616059.db2.gz IIDZVVWFKRTBQW-QDVFLJBMSA-N 2 1 289.467 3.441 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001199844160 811602779 /nfs/dbraw/zinc/60/27/79/811602779.db2.gz WKXRMLJHTAUIGQ-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995760 813157122 /nfs/dbraw/zinc/15/71/22/813157122.db2.gz PXPVFPMMWLMDAZ-RDJZCZTQSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@H]1C[NH3+] ZINC001206003211 813160759 /nfs/dbraw/zinc/16/07/59/813160759.db2.gz FUTQBVQDAXYTNY-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206004795 813162208 /nfs/dbraw/zinc/16/22/08/813162208.db2.gz VOZADUBJTWMWRC-CVEARBPZSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206296353 813276943 /nfs/dbraw/zinc/27/69/43/813276943.db2.gz RTRFASSGEGPNBK-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550270 813349166 /nfs/dbraw/zinc/34/91/66/813349166.db2.gz YXZHQIFGZOVMJS-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291867 813535608 /nfs/dbraw/zinc/53/56/08/813535608.db2.gz DFKANCXXARTTSU-GOSISDBHSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001208619593 813777338 /nfs/dbraw/zinc/77/73/38/813777338.db2.gz YHHBIPHBZHGZTD-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[NH+](C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC001208619593 813777342 /nfs/dbraw/zinc/77/73/42/813777342.db2.gz YHHBIPHBZHGZTD-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC001208619593 813777347 /nfs/dbraw/zinc/77/73/47/813777347.db2.gz YHHBIPHBZHGZTD-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@H+](C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC001208619593 813777351 /nfs/dbraw/zinc/77/73/51/813777351.db2.gz YHHBIPHBZHGZTD-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209438139 814036370 /nfs/dbraw/zinc/03/63/70/814036370.db2.gz HFXPJOPRHKAEAW-UHFFFAOYSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344867 816413625 /nfs/dbraw/zinc/41/36/25/816413625.db2.gz FGYKJDOVVWESDF-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222344867 816413632 /nfs/dbraw/zinc/41/36/32/816413632.db2.gz FGYKJDOVVWESDF-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422613 816440860 /nfs/dbraw/zinc/44/08/60/816440860.db2.gz VQUSSEMBVSQEED-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422613 816440865 /nfs/dbraw/zinc/44/08/65/816440865.db2.gz VQUSSEMBVSQEED-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423355 819092532 /nfs/dbraw/zinc/09/25/32/819092532.db2.gz GCIVOCKCAYPEDC-MJGOQNOKSA-N 2 1 297.446 3.078 20 30 CGEDMP CCCCCCC[N@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663873 819132297 /nfs/dbraw/zinc/13/22/97/819132297.db2.gz XRNAEKZMHAPPFV-KBPBESRZSA-N 2 1 276.415 3.379 20 30 CGEDMP CCCCCCC[N@@H+](C)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663873 819132300 /nfs/dbraw/zinc/13/23/00/819132300.db2.gz XRNAEKZMHAPPFV-KBPBESRZSA-N 2 1 276.415 3.379 20 30 CGEDMP CCCCCCC[N@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663885 819132469 /nfs/dbraw/zinc/13/24/69/819132469.db2.gz XRNAEKZMHAPPFV-ZIAGYGMSSA-N 2 1 276.415 3.379 20 30 CGEDMP CCCCCCC[N@@H+](C)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663885 819132470 /nfs/dbraw/zinc/13/24/70/819132470.db2.gz XRNAEKZMHAPPFV-ZIAGYGMSSA-N 2 1 276.415 3.379 20 30 CGEDMP C#Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236376515 819443116 /nfs/dbraw/zinc/44/31/16/819443116.db2.gz SEQOCQUKISRETH-LJQANCHMSA-N 2 1 296.458 3.412 20 30 CGEDMP C=CCCCCC[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236634096 819556147 /nfs/dbraw/zinc/55/61/47/819556147.db2.gz QNPHFPOGOWLEMP-UHFFFAOYSA-N 2 1 250.430 3.339 20 30 CGEDMP CCc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1C#N ZINC001236647965 819559931 /nfs/dbraw/zinc/55/99/31/819559931.db2.gz NUAOSKMLXNJBIC-UHFFFAOYSA-N 2 1 297.446 3.227 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)c1 ZINC001236842196 819618077 /nfs/dbraw/zinc/61/80/77/819618077.db2.gz BSSOBZWDFMUBNB-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001461159806 937567042 /nfs/dbraw/zinc/56/70/42/937567042.db2.gz KIKFHAJLFVDRGR-UHFFFAOYSA-N 2 1 258.409 3.043 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001574907684 962330989 /nfs/dbraw/zinc/33/09/89/962330989.db2.gz XOJWZWSHIXGXHN-INIZCTEOSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000651672932 398266398 /nfs/dbraw/zinc/26/63/98/398266398.db2.gz PUOKFXSSXMNYRK-BMFZPTHFSA-N 2 1 261.413 3.162 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654547 349856517 /nfs/dbraw/zinc/85/65/17/349856517.db2.gz CEOLKQYWGIFPSR-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622230 344964204 /nfs/dbraw/zinc/96/42/04/344964204.db2.gz AJXHASVUKMTNPO-KRWDZBQOSA-N 2 1 288.435 3.071 20 30 CGEDMP C[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000068481738 345354412 /nfs/dbraw/zinc/35/44/12/345354412.db2.gz SZXOUXQGAZIKKP-HNNXBMFYSA-N 2 1 271.408 3.064 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033375 347140865 /nfs/dbraw/zinc/14/08/65/347140865.db2.gz OEHQPDXGLDEPSB-QGZVFWFLSA-N 2 1 283.419 3.011 20 30 CGEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993882 347704763 /nfs/dbraw/zinc/70/47/63/347704763.db2.gz DNASJDGGYBNFQU-KRWDZBQOSA-N 2 1 299.462 3.309 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735196 /nfs/dbraw/zinc/73/51/96/347735196.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735197 /nfs/dbraw/zinc/73/51/97/347735197.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735198 /nfs/dbraw/zinc/73/51/98/347735198.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735199 /nfs/dbraw/zinc/73/51/99/347735199.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 2 1 285.435 3.171 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602647362 348000675 /nfs/dbraw/zinc/00/06/75/348000675.db2.gz HLFORUATYXJCRE-AEFFLSMTSA-N 2 1 285.435 3.038 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602543313 347979187 /nfs/dbraw/zinc/97/91/87/347979187.db2.gz ANYSPYRLEUGFRG-JCYILVPMSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602543313 347979189 /nfs/dbraw/zinc/97/91/89/347979189.db2.gz ANYSPYRLEUGFRG-JCYILVPMSA-N 2 1 277.456 3.313 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000602949663 348046800 /nfs/dbraw/zinc/04/68/00/348046800.db2.gz KEHJTQNKKZGICO-HNNXBMFYSA-N 2 1 263.429 3.019 20 30 CGEDMP C=CCC1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000625935398 350233484 /nfs/dbraw/zinc/23/34/84/350233484.db2.gz YNYJGRFOIKWWBS-HNNXBMFYSA-N 2 1 250.430 3.339 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631216784 350993198 /nfs/dbraw/zinc/99/31/98/350993198.db2.gz APIRKEHYGCKPCT-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423494781 236086337 /nfs/dbraw/zinc/08/63/37/236086337.db2.gz BAHLEVQONGFPRZ-RBUKOAKNSA-N 2 1 297.446 3.433 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000120817522 370803089 /nfs/dbraw/zinc/80/30/89/370803089.db2.gz LXDWVKLLJFGDMP-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000120817522 370803096 /nfs/dbraw/zinc/80/30/96/370803096.db2.gz LXDWVKLLJFGDMP-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000120817522 370803103 /nfs/dbraw/zinc/80/31/03/370803103.db2.gz LXDWVKLLJFGDMP-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000120843091 370806304 /nfs/dbraw/zinc/80/63/04/370806304.db2.gz CJPVFBYFARSYBS-GOSISDBHSA-N 2 1 285.435 3.016 20 30 CGEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187828 261181593 /nfs/dbraw/zinc/18/15/93/261181593.db2.gz HOXCHZMKYFFQOR-JKSUJKDBSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187828 261181594 /nfs/dbraw/zinc/18/15/94/261181594.db2.gz HOXCHZMKYFFQOR-JKSUJKDBSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187828 261181596 /nfs/dbraw/zinc/18/15/96/261181596.db2.gz HOXCHZMKYFFQOR-JKSUJKDBSA-N 2 1 277.456 3.123 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000287565710 371675119 /nfs/dbraw/zinc/67/51/19/371675119.db2.gz QKFBJOISYZOFQW-HUUCEWRRSA-N 2 1 285.391 3.336 20 30 CGEDMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000423205077 372028214 /nfs/dbraw/zinc/02/82/14/372028214.db2.gz VGARUKKSGUJIHU-CYBMUJFWSA-N 2 1 289.398 3.400 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429696008 372375965 /nfs/dbraw/zinc/37/59/65/372375965.db2.gz QRYZMCPULDHHFQ-BDXSIMOUSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429696008 372375968 /nfs/dbraw/zinc/37/59/68/372375968.db2.gz QRYZMCPULDHHFQ-BDXSIMOUSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429696008 372375972 /nfs/dbraw/zinc/37/59/72/372375972.db2.gz QRYZMCPULDHHFQ-BDXSIMOUSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429696008 372375975 /nfs/dbraw/zinc/37/59/75/372375975.db2.gz QRYZMCPULDHHFQ-BDXSIMOUSA-N 2 1 289.467 3.265 20 30 CGEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000443978225 373164500 /nfs/dbraw/zinc/16/45/00/373164500.db2.gz KUNNFORNBDROFJ-QGZVFWFLSA-N 2 1 285.435 3.077 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C(C)C)CC1 ZINC000468367915 374980340 /nfs/dbraw/zinc/98/03/40/374980340.db2.gz PZVVFARZUUQAKA-IRXDYDNUSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657272 375896812 /nfs/dbraw/zinc/89/68/12/375896812.db2.gz POFBQCSPIBXUFM-ZOBUZTSGSA-N 2 1 258.409 3.061 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248735747 377392048 /nfs/dbraw/zinc/39/20/48/377392048.db2.gz DOQQYOFBNLFFLB-BZUAXINKSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248735747 377392061 /nfs/dbraw/zinc/39/20/61/377392061.db2.gz DOQQYOFBNLFFLB-BZUAXINKSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000570015911 377532328 /nfs/dbraw/zinc/53/23/28/377532328.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000570015911 377532340 /nfs/dbraw/zinc/53/23/40/377532340.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 2 1 250.430 3.006 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443984858 249137657 /nfs/dbraw/zinc/13/76/57/249137657.db2.gz UDCNPLMLPHIAOU-IYBDPMFKSA-N 2 1 299.462 3.324 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443984858 249137659 /nfs/dbraw/zinc/13/76/59/249137659.db2.gz UDCNPLMLPHIAOU-IYBDPMFKSA-N 2 1 299.462 3.324 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268928855 378154666 /nfs/dbraw/zinc/15/46/66/378154666.db2.gz ZAEXAASYQQOVCU-SFHVURJKSA-N 2 1 288.410 3.443 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504620 378401425 /nfs/dbraw/zinc/40/14/25/378401425.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504620 378401428 /nfs/dbraw/zinc/40/14/28/378401428.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504620 378401431 /nfs/dbraw/zinc/40/14/31/378401431.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504620 378401435 /nfs/dbraw/zinc/40/14/35/378401435.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638525284 378826281 /nfs/dbraw/zinc/82/62/81/378826281.db2.gz WPPTURUBOCSZGG-UHFFFAOYSA-N 2 1 297.446 3.308 20 30 CGEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1 ZINC000266427037 190256775 /nfs/dbraw/zinc/25/67/75/190256775.db2.gz SZTKZEOKKXSGBB-UHFFFAOYSA-N 2 1 273.405 3.359 20 30 CGEDMP C=CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266602815 190270644 /nfs/dbraw/zinc/27/06/44/190270644.db2.gz XMEHOINKYOTGSJ-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266602815 190270645 /nfs/dbraw/zinc/27/06/45/190270645.db2.gz XMEHOINKYOTGSJ-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266602815 190270646 /nfs/dbraw/zinc/27/06/46/190270646.db2.gz XMEHOINKYOTGSJ-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353424361 380206480 /nfs/dbraw/zinc/20/64/80/380206480.db2.gz GSGZHDAXIGZVDC-SFHVURJKSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414163951 380196547 /nfs/dbraw/zinc/19/65/47/380196547.db2.gz JNZXJARGHLVSMA-WMZOPIPTSA-N 2 1 299.462 3.426 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000367620566 382352070 /nfs/dbraw/zinc/35/20/70/382352070.db2.gz YHGDTLPIFYJDQW-RCCFBDPRSA-N 2 1 270.420 3.162 20 30 CGEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC1(C#N)CCCCC1 ZINC000411866619 392990623 /nfs/dbraw/zinc/99/06/23/392990623.db2.gz IBSVOBSPKDLBHL-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1C#N ZINC000443988109 393780231 /nfs/dbraw/zinc/78/02/31/393780231.db2.gz KSPXBPRCFVMDBT-GOSISDBHSA-N 2 1 299.462 3.324 20 30 CGEDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000453410837 394238169 /nfs/dbraw/zinc/23/81/69/394238169.db2.gz VJZYMIYLZDYITH-GOSISDBHSA-N 2 1 285.435 3.473 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000685579272 544086404 /nfs/dbraw/zinc/08/64/04/544086404.db2.gz VIMBAFYRYKKTBM-OAHLLOKOSA-N 2 1 272.392 3.035 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876453 419399277 /nfs/dbraw/zinc/39/92/77/419399277.db2.gz MCLCUPCKFCGEII-XHSDSOJGSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468929 419621802 /nfs/dbraw/zinc/62/18/02/419621802.db2.gz NJPHWHXWIVSGFZ-ZMSDIMECSA-N 2 1 264.457 3.299 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273125797 263013023 /nfs/dbraw/zinc/01/30/23/263013023.db2.gz ANIQZWIFQYNBRB-GUDVDZBRSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415061588 263258658 /nfs/dbraw/zinc/25/86/58/263258658.db2.gz YSBPPNIWXIEVQL-HNNXBMFYSA-N 2 1 296.842 3.368 20 30 CGEDMP C=CCOc1cccc(CN2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000180043052 264394601 /nfs/dbraw/zinc/39/46/01/264394601.db2.gz SGMOQIYKDPSTJP-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000180043052 264394602 /nfs/dbraw/zinc/39/46/02/264394602.db2.gz SGMOQIYKDPSTJP-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000180043052 264394604 /nfs/dbraw/zinc/39/46/04/264394604.db2.gz SGMOQIYKDPSTJP-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000180043052 264394605 /nfs/dbraw/zinc/39/46/05/264394605.db2.gz SGMOQIYKDPSTJP-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000180043052 264394607 /nfs/dbraw/zinc/39/46/07/264394607.db2.gz SGMOQIYKDPSTJP-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362911712 267059625 /nfs/dbraw/zinc/05/96/25/267059625.db2.gz CTKSGENPNDKSOD-UHFFFAOYSA-N 2 1 287.382 3.047 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000563355057 328057684 /nfs/dbraw/zinc/05/76/84/328057684.db2.gz LULRNJWLFCCJRA-UHFFFAOYSA-N 2 1 269.392 3.041 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000563355057 328057686 /nfs/dbraw/zinc/05/76/86/328057686.db2.gz LULRNJWLFCCJRA-UHFFFAOYSA-N 2 1 269.392 3.041 20 30 CGEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227459 /nfs/dbraw/zinc/22/74/59/328227459.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227460 /nfs/dbraw/zinc/22/74/60/328227460.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227461 /nfs/dbraw/zinc/22/74/61/328227461.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 2 1 297.446 3.133 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000248626502 327507428 /nfs/dbraw/zinc/50/74/28/327507428.db2.gz FVWFQJRUZQVUML-ZMSDIMECSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000542475449 328773555 /nfs/dbraw/zinc/77/35/55/328773555.db2.gz WOZOMWJSXYTAGA-ZMSDIMECSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685339 329249292 /nfs/dbraw/zinc/24/92/92/329249292.db2.gz BJSRBECQEHZRKY-RDTXWAMCSA-N 2 1 299.418 3.158 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000536995979 330375460 /nfs/dbraw/zinc/37/54/60/330375460.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000536995979 330375461 /nfs/dbraw/zinc/37/54/61/330375461.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000536995979 330375462 /nfs/dbraw/zinc/37/54/62/330375462.db2.gz XCYCIUKDRGLSTL-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000453353097 331121089 /nfs/dbraw/zinc/12/10/89/331121089.db2.gz HJAMOIRETBVLFM-OWCLPIDISA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799697 331301516 /nfs/dbraw/zinc/30/15/16/331301516.db2.gz YWYTZIPRMUFPDB-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973336 333051910 /nfs/dbraw/zinc/05/19/10/333051910.db2.gz PDQSNPZFMTVGDU-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973336 333051911 /nfs/dbraw/zinc/05/19/11/333051911.db2.gz PDQSNPZFMTVGDU-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973336 333051912 /nfs/dbraw/zinc/05/19/12/333051912.db2.gz PDQSNPZFMTVGDU-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309980508 333052213 /nfs/dbraw/zinc/05/22/13/333052213.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309980508 333052216 /nfs/dbraw/zinc/05/22/16/333052216.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309980508 333052217 /nfs/dbraw/zinc/05/22/17/333052217.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185782305 333148651 /nfs/dbraw/zinc/14/86/51/333148651.db2.gz IXFMSWFYEKYDBK-USXIJHARSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000387474075 336194154 /nfs/dbraw/zinc/19/41/54/336194154.db2.gz UGQRSWPRQZCHQS-UHFFFAOYSA-N 2 1 272.436 3.249 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931989 526998753 /nfs/dbraw/zinc/99/87/53/526998753.db2.gz JGANAAARESPBBJ-GOSISDBHSA-N 2 1 299.462 3.428 20 30 CGEDMP C=CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352830444 527326827 /nfs/dbraw/zinc/32/68/27/527326827.db2.gz KBHVJRMUNWBVOD-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352830444 527326831 /nfs/dbraw/zinc/32/68/31/527326831.db2.gz KBHVJRMUNWBVOD-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352830444 527326839 /nfs/dbraw/zinc/32/68/39/527326839.db2.gz KBHVJRMUNWBVOD-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000924542111 618810660 /nfs/dbraw/zinc/81/06/60/618810660.db2.gz PJKHWVARYYGJBQ-AWEZNQCLSA-N 2 1 265.445 3.169 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(C#N)c2)cc1 ZINC000894456191 619543429 /nfs/dbraw/zinc/54/34/29/619543429.db2.gz NFXSFKZKWRKSDF-UHFFFAOYSA-N 2 1 299.443 3.313 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(C#N)c2)cc1 ZINC000894456191 619543431 /nfs/dbraw/zinc/54/34/31/619543431.db2.gz NFXSFKZKWRKSDF-UHFFFAOYSA-N 2 1 299.443 3.313 20 30 CGEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902726616 621414927 /nfs/dbraw/zinc/41/49/27/621414927.db2.gz RHRMRZQWVJIRRH-ROUUACIJSA-N 2 1 294.483 3.354 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000903453674 621761545 /nfs/dbraw/zinc/76/15/45/621761545.db2.gz HZOHYAXXNAHFLH-FOIPXRHGSA-N 2 1 289.467 3.028 20 30 CGEDMP N#CC1(CCCC[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CCC1 ZINC000903746803 621799049 /nfs/dbraw/zinc/79/90/49/621799049.db2.gz LGKOILBMAOIDEB-ZWKOTPCHSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CC1(CCCC[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CCC1 ZINC000903746803 621799053 /nfs/dbraw/zinc/79/90/53/621799053.db2.gz LGKOILBMAOIDEB-ZWKOTPCHSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CCC1 ZINC000903752061 621800512 /nfs/dbraw/zinc/80/05/12/621800512.db2.gz QMFYJUMBWBQDDP-DLBZAZTESA-N 2 1 289.467 3.315 20 30 CGEDMP C#CC[C@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1 ZINC000755047358 626597874 /nfs/dbraw/zinc/59/78/74/626597874.db2.gz FDSJZILZONIZEI-KRWDZBQOSA-N 2 1 258.409 3.073 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000809602122 630758788 /nfs/dbraw/zinc/75/87/88/630758788.db2.gz QUSSGWGEZPQRLE-UHFFFAOYSA-N 2 1 284.447 3.412 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1 ZINC000809602122 630758792 /nfs/dbraw/zinc/75/87/92/630758792.db2.gz QUSSGWGEZPQRLE-UHFFFAOYSA-N 2 1 284.447 3.412 20 30 CGEDMP C#C[C@H](CC)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000809686182 630781877 /nfs/dbraw/zinc/78/18/77/630781877.db2.gz YJPBJIHISFTBDJ-QGZVFWFLSA-N 2 1 272.436 3.146 20 30 CGEDMP C#C[C@H](CC)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809686182 630781882 /nfs/dbraw/zinc/78/18/82/630781882.db2.gz YJPBJIHISFTBDJ-QGZVFWFLSA-N 2 1 272.436 3.146 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1C#N ZINC000866706249 633234080 /nfs/dbraw/zinc/23/40/80/633234080.db2.gz AUWOYYUSNWFOME-SFHVURJKSA-N 2 1 285.435 3.064 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000834815871 634246675 /nfs/dbraw/zinc/24/66/75/634246675.db2.gz YVLYUJXONKOAIV-ZFWWWQNUSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000834815871 634246683 /nfs/dbraw/zinc/24/66/83/634246683.db2.gz YVLYUJXONKOAIV-ZFWWWQNUSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000876915987 634928871 /nfs/dbraw/zinc/92/88/71/634928871.db2.gz GQSBCHBRWSROQP-OAHLLOKOSA-N 2 1 261.413 3.001 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643314 635128586 /nfs/dbraw/zinc/12/85/86/635128586.db2.gz GZTAQSIUSNCGDR-GOSISDBHSA-N 2 1 276.468 3.282 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000877733025 635167229 /nfs/dbraw/zinc/16/72/29/635167229.db2.gz NIGPAPVOAYUWSZ-NVXWUHKLSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000877733025 635167232 /nfs/dbraw/zinc/16/72/32/635167232.db2.gz NIGPAPVOAYUWSZ-NVXWUHKLSA-N 2 1 277.456 3.313 20 30 CGEDMP C#CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844325737 635871172 /nfs/dbraw/zinc/87/11/72/635871172.db2.gz CQGYUGLIOSYHSN-INIZCTEOSA-N 2 1 290.476 3.224 20 30 CGEDMP CC1([NH+]2CCCCC2)CC[NH+](CCCCC#N)CC1 ZINC000879948303 635885811 /nfs/dbraw/zinc/88/58/11/635885811.db2.gz BHXURTOYNFGUPK-UHFFFAOYSA-N 2 1 263.429 3.021 20 30 CGEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000883167191 636563537 /nfs/dbraw/zinc/56/35/37/636563537.db2.gz SDJLUCBSFNIMAB-QGZVFWFLSA-N 2 1 288.435 3.084 20 30 CGEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000883182914 636569896 /nfs/dbraw/zinc/56/98/96/636569896.db2.gz NWLYBLNJZOFPHA-GOSISDBHSA-N 2 1 283.419 3.359 20 30 CGEDMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000886716308 637670017 /nfs/dbraw/zinc/67/00/17/637670017.db2.gz VAQZNAHURKEPKR-UHFFFAOYSA-N 2 1 297.446 3.203 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779625 638950567 /nfs/dbraw/zinc/95/05/67/638950567.db2.gz GJCIRHLQQZNKRQ-VXLLPVPCSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779625 638950568 /nfs/dbraw/zinc/95/05/68/638950568.db2.gz GJCIRHLQQZNKRQ-VXLLPVPCSA-N 2 1 277.456 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779625 638950570 /nfs/dbraw/zinc/95/05/70/638950570.db2.gz GJCIRHLQQZNKRQ-VXLLPVPCSA-N 2 1 277.456 3.121 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929960910 638964545 /nfs/dbraw/zinc/96/45/45/638964545.db2.gz HPADVJGRMCFGOR-UHFFFAOYSA-N 2 1 285.435 3.138 20 30 CGEDMP C[NH+](C)C1(C)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000931352044 639139891 /nfs/dbraw/zinc/13/98/91/639139891.db2.gz ZWOCQYRYVBXLRJ-UHFFFAOYSA-N 2 1 299.462 3.404 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001252983332 806146790 /nfs/dbraw/zinc/14/67/90/806146790.db2.gz VEJXPIYZIRCYPN-QZTJIDSGSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252983048 806147297 /nfs/dbraw/zinc/14/72/97/806147297.db2.gz QGMUMSSLEBJMFE-MRXNPFEDSA-N 2 1 295.471 3.434 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001254669001 806480128 /nfs/dbraw/zinc/48/01/28/806480128.db2.gz MMHBTJGUOOCTKM-IKGGRYGDSA-N 2 1 275.440 3.019 20 30 CGEDMP CC[C@@H](CC#N)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162679 806561611 /nfs/dbraw/zinc/56/16/11/806561611.db2.gz WKGXHENHWHFOEH-DZKIICNBSA-N 2 1 263.429 3.193 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379650052 799350925 /nfs/dbraw/zinc/35/09/25/799350925.db2.gz QOXOXPHPIHJFGC-AEFFLSMTSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379650052 799350934 /nfs/dbraw/zinc/35/09/34/799350934.db2.gz QOXOXPHPIHJFGC-AEFFLSMTSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000381439326 799380073 /nfs/dbraw/zinc/38/00/73/799380073.db2.gz WFGFNBPDBLDXAM-YJBOKZPZSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000381439326 799380079 /nfs/dbraw/zinc/38/00/79/799380079.db2.gz WFGFNBPDBLDXAM-YJBOKZPZSA-N 2 1 270.420 3.170 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001255945912 806792717 /nfs/dbraw/zinc/79/27/17/806792717.db2.gz PIDMMOHYGBNXRI-GJZGRUSLSA-N 2 1 273.424 3.329 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255951164 806795515 /nfs/dbraw/zinc/79/55/15/806795515.db2.gz HCFOSLNXMSTZHG-CYBMUJFWSA-N 2 1 293.842 3.422 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1CCN(C2CC2)CC1 ZINC001256081191 806816921 /nfs/dbraw/zinc/81/69/21/806816921.db2.gz SBAKHDNFCJEJFB-UHFFFAOYSA-N 2 1 270.420 3.301 20 30 CGEDMP C=CCN(Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256081191 806816931 /nfs/dbraw/zinc/81/69/31/806816931.db2.gz SBAKHDNFCJEJFB-UHFFFAOYSA-N 2 1 270.420 3.301 20 30 CGEDMP C#Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000809551416 800445623 /nfs/dbraw/zinc/44/56/23/800445623.db2.gz YKTSXHZLRUNFBK-UHFFFAOYSA-N 2 1 284.447 3.220 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246213321 804209991 /nfs/dbraw/zinc/20/99/91/804209991.db2.gz QASMBYATFWMUCY-ZACQAIPSSA-N 2 1 284.488 3.074 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H]([NH3+])COC ZINC001246238104 804229768 /nfs/dbraw/zinc/22/97/68/804229768.db2.gz DJWZADKOXNPKGT-JKSUJKDBSA-N 2 1 272.477 3.325 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246287675 804260451 /nfs/dbraw/zinc/26/04/51/804260451.db2.gz KGZIGYLUNUBFMR-IAGOWNOFSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246292917 804262461 /nfs/dbraw/zinc/26/24/61/804262461.db2.gz WRMJTQNKUKGGLT-IAGOWNOFSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCC[C@H](CC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300391 804265940 /nfs/dbraw/zinc/26/59/40/804265940.db2.gz NOXBJQYFOPLMFV-GJZGRUSLSA-N 3 1 257.466 3.129 20 30 CGEDMP CCCCCCCC[C@H](CC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246300395 804266884 /nfs/dbraw/zinc/26/68/84/804266884.db2.gz NOXBJQYFOPLMFV-LSDHHAIUSA-N 3 1 257.466 3.129 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246297949 804267095 /nfs/dbraw/zinc/26/70/95/804267095.db2.gz YHZXTPNIANAFQI-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCOC(=O)C[NH2+]C1CCC([NH2+]C)CC1 ZINC001246310684 804274284 /nfs/dbraw/zinc/27/42/84/804274284.db2.gz QIKRQSCCGKDAHR-UHFFFAOYSA-N 2 1 298.471 3.010 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246335194 804289792 /nfs/dbraw/zinc/28/97/92/804289792.db2.gz HBYRPOTWTTYXEV-GOEBONIOSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246567949 804415062 /nfs/dbraw/zinc/41/50/62/804415062.db2.gz NGWZSTKBQUIPTP-BRWVUGGUSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643560 804470581 /nfs/dbraw/zinc/47/05/81/804470581.db2.gz PCJNRTZLBGXOMW-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246643545 804470594 /nfs/dbraw/zinc/47/05/94/804470594.db2.gz PCJNRTZLBGXOMW-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650455 804479016 /nfs/dbraw/zinc/47/90/16/804479016.db2.gz IIZDNUVXQKPOMF-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650455 804479019 /nfs/dbraw/zinc/47/90/19/804479019.db2.gz IIZDNUVXQKPOMF-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246814934 804532094 /nfs/dbraw/zinc/53/20/94/804532094.db2.gz AJQRJTDKASHTSU-LORHWOILSA-N 2 1 282.431 3.138 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246814934 804532100 /nfs/dbraw/zinc/53/21/00/804532100.db2.gz AJQRJTDKASHTSU-LORHWOILSA-N 2 1 282.431 3.138 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246818163 804533294 /nfs/dbraw/zinc/53/32/94/804533294.db2.gz XFJRTNARNIQSQY-IEBWSBKVSA-N 2 1 294.442 3.284 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246818163 804533299 /nfs/dbraw/zinc/53/32/99/804533299.db2.gz XFJRTNARNIQSQY-IEBWSBKVSA-N 2 1 294.442 3.284 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246855240 804564059 /nfs/dbraw/zinc/56/40/59/804564059.db2.gz XCKXELBQPKAHFX-OAHLLOKOSA-N 2 1 250.430 3.339 20 30 CGEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921880 804602551 /nfs/dbraw/zinc/60/25/51/804602551.db2.gz TUDKCAXWCWIWKC-KBPBESRZSA-N 2 1 252.446 3.440 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927154 804604253 /nfs/dbraw/zinc/60/42/53/804604253.db2.gz GOHRUPIMLMREMP-DLBZAZTESA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001246927154 804604256 /nfs/dbraw/zinc/60/42/56/804604256.db2.gz GOHRUPIMLMREMP-DLBZAZTESA-N 2 1 284.488 3.436 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H](C1)C2 ZINC001247014421 804643626 /nfs/dbraw/zinc/64/36/26/804643626.db2.gz KBUCOIGOYFNSRP-GFHHTVLPSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)C[C@H](C1)C2 ZINC001247014421 804643631 /nfs/dbraw/zinc/64/36/31/804643631.db2.gz KBUCOIGOYFNSRP-GFHHTVLPSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]4CC[N@@H+](C3)[C@@H]4C)C[C@H](C1)C2 ZINC001257887727 807238988 /nfs/dbraw/zinc/23/89/88/807238988.db2.gz HFRUZAYYMPPZDW-AOXRCQJJSA-N 2 1 274.452 3.194 20 30 CGEDMP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135469 807319087 /nfs/dbraw/zinc/31/90/87/807319087.db2.gz JDIBOJKXXPVFOK-IBGZPJMESA-N 2 1 284.447 3.085 20 30 CGEDMP CCCCCCCCC[C@@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258231977 807379993 /nfs/dbraw/zinc/37/99/93/807379993.db2.gz WMGKQYBOCABGSJ-HZPDHXFCSA-N 2 1 295.471 3.447 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258723509 807571331 /nfs/dbraw/zinc/57/13/31/807571331.db2.gz WWKHDSOWDSBQMV-IIAWOOMASA-N 2 1 250.430 3.466 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001258727531 807574661 /nfs/dbraw/zinc/57/46/61/807574661.db2.gz IDIPIKXAEVMQBC-MSOLQXFVSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001258727531 807574664 /nfs/dbraw/zinc/57/46/64/807574664.db2.gz IDIPIKXAEVMQBC-MSOLQXFVSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727531 807574666 /nfs/dbraw/zinc/57/46/66/807574666.db2.gz IDIPIKXAEVMQBC-MSOLQXFVSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727531 807574667 /nfs/dbraw/zinc/57/46/67/807574667.db2.gz IDIPIKXAEVMQBC-MSOLQXFVSA-N 2 1 294.483 3.164 20 30 CGEDMP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172063558 808169916 /nfs/dbraw/zinc/16/99/16/808169916.db2.gz AOHFAIDIYSCSOS-REPLKXPHSA-N 2 1 294.442 3.328 20 30 CGEDMP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063558 808169918 /nfs/dbraw/zinc/16/99/18/808169918.db2.gz AOHFAIDIYSCSOS-REPLKXPHSA-N 2 1 294.442 3.328 20 30 CGEDMP C=CCCCC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128087 808184938 /nfs/dbraw/zinc/18/49/38/808184938.db2.gz OKMFVEOPZSSJPD-MUJYYYPQSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128087 808184941 /nfs/dbraw/zinc/18/49/41/808184941.db2.gz OKMFVEOPZSSJPD-MUJYYYPQSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128087 808184944 /nfs/dbraw/zinc/18/49/44/808184944.db2.gz OKMFVEOPZSSJPD-MUJYYYPQSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128087 808184950 /nfs/dbraw/zinc/18/49/50/808184950.db2.gz OKMFVEOPZSSJPD-MUJYYYPQSA-N 2 1 250.430 3.290 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172349715 808246742 /nfs/dbraw/zinc/24/67/42/808246742.db2.gz FPMLMEIUPXARPA-ROUUACIJSA-N 2 1 295.515 3.138 20 30 CGEDMP Cc1ccc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1C#N ZINC001275374388 808933565 /nfs/dbraw/zinc/93/35/65/808933565.db2.gz XWYICXZJJAULLG-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1C#N ZINC001275374388 808933574 /nfs/dbraw/zinc/93/35/74/808933574.db2.gz XWYICXZJJAULLG-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1C#N ZINC001275374388 808933579 /nfs/dbraw/zinc/93/35/79/808933579.db2.gz XWYICXZJJAULLG-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C#N ZINC001275374388 808933583 /nfs/dbraw/zinc/93/35/83/808933583.db2.gz XWYICXZJJAULLG-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1C#N ZINC001275374388 808933590 /nfs/dbraw/zinc/93/35/90/808933590.db2.gz XWYICXZJJAULLG-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001179516182 809927591 /nfs/dbraw/zinc/92/75/91/809927591.db2.gz RPKGJVQEAZMMHY-UHFFFAOYSA-N 2 1 261.413 3.230 20 30 CGEDMP CCCCCCCC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205536888 812996577 /nfs/dbraw/zinc/99/65/77/812996577.db2.gz BPPMSUNYEISGKP-HNNXBMFYSA-N 2 1 258.425 3.500 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626807 813032485 /nfs/dbraw/zinc/03/24/85/813032485.db2.gz JKBSZSLYSJVDRI-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651645 813042990 /nfs/dbraw/zinc/04/29/90/813042990.db2.gz HVVCGQMDINWCNO-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206004797 813162450 /nfs/dbraw/zinc/16/24/50/813162450.db2.gz VOZADUBJTWMWRC-HZPDHXFCSA-N 2 1 288.435 3.058 20 30 CGEDMP N#CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932877 813904408 /nfs/dbraw/zinc/90/44/08/813904408.db2.gz RSTBNEXZYGRPHR-LJQANCHMSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932877 813904411 /nfs/dbraw/zinc/90/44/11/813904411.db2.gz RSTBNEXZYGRPHR-LJQANCHMSA-N 2 1 297.446 3.134 20 30 CGEDMP C#CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268298 813990223 /nfs/dbraw/zinc/99/02/23/813990223.db2.gz FGRPHDLHYQIGNC-VQTJNVASSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268298 813990228 /nfs/dbraw/zinc/99/02/28/813990228.db2.gz FGRPHDLHYQIGNC-VQTJNVASSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209268298 813990235 /nfs/dbraw/zinc/99/02/35/813990235.db2.gz FGRPHDLHYQIGNC-VQTJNVASSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209442002 814040305 /nfs/dbraw/zinc/04/03/05/814040305.db2.gz MUNGYXUEVQOWCV-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209442002 814040310 /nfs/dbraw/zinc/04/03/10/814040310.db2.gz MUNGYXUEVQOWCV-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209442002 814040321 /nfs/dbraw/zinc/04/03/21/814040321.db2.gz MUNGYXUEVQOWCV-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623162 816481130 /nfs/dbraw/zinc/48/11/30/816481130.db2.gz DDCHZZGNEHBJQV-CALCHBBNSA-N 2 1 264.457 3.444 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037448 818986339 /nfs/dbraw/zinc/98/63/39/818986339.db2.gz GDWSRWKMHKMODG-LJQANCHMSA-N 2 1 297.446 3.229 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339729 819071685 /nfs/dbraw/zinc/07/16/85/819071685.db2.gz YURBDPRVEBUESK-OAHLLOKOSA-N 2 1 252.446 3.278 20 30 CGEDMP C#Cc1cccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552638 819535342 /nfs/dbraw/zinc/53/53/42/819535342.db2.gz URSRETMZJOTMLI-WGSAOQKQSA-N 2 1 284.447 3.396 20 30 CGEDMP C=CCCCC[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304868 819720522 /nfs/dbraw/zinc/72/05/22/819720522.db2.gz MUGPEYHNIIJHOS-UHFFFAOYSA-N 2 1 270.420 3.437 20 30 CGEDMP C=CCCCC[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304868 819720527 /nfs/dbraw/zinc/72/05/27/819720527.db2.gz MUGPEYHNIIJHOS-UHFFFAOYSA-N 2 1 270.420 3.437 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383463 819737413 /nfs/dbraw/zinc/73/74/13/819737413.db2.gz PFRYTSGMCFLULE-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000327996621 926896070 /nfs/dbraw/zinc/89/60/70/926896070.db2.gz MRVDNWWOBBQOMX-MRXNPFEDSA-N 2 1 280.415 3.446 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000327996621 926896079 /nfs/dbraw/zinc/89/60/79/926896079.db2.gz MRVDNWWOBBQOMX-MRXNPFEDSA-N 2 1 280.415 3.446 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000327996620 926896682 /nfs/dbraw/zinc/89/66/82/926896682.db2.gz MRVDNWWOBBQOMX-INIZCTEOSA-N 2 1 280.415 3.446 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000327996620 926896695 /nfs/dbraw/zinc/89/66/95/926896695.db2.gz MRVDNWWOBBQOMX-INIZCTEOSA-N 2 1 280.415 3.446 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC001323699382 934418440 /nfs/dbraw/zinc/41/84/40/934418440.db2.gz WLNBSZFMYRZLLR-UHFFFAOYSA-N 2 1 294.389 3.137 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132802 937793556 /nfs/dbraw/zinc/79/35/56/937793556.db2.gz LPDWBQIQHNLAGR-ZWKOTPCHSA-N 2 1 276.468 3.232 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132802 937793557 /nfs/dbraw/zinc/79/35/57/937793557.db2.gz LPDWBQIQHNLAGR-ZWKOTPCHSA-N 2 1 276.468 3.232 20 30 CGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1CCC[NH3+] ZINC001579423208 962630301 /nfs/dbraw/zinc/63/03/01/962630301.db2.gz RNPDWKIFHYVKAB-CXAGYDPISA-N 2 1 289.398 3.037 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091334289 345810526 /nfs/dbraw/zinc/81/05/26/345810526.db2.gz PWBPCMNEZXBJJG-GOSISDBHSA-N 2 1 287.451 3.409 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596059294 347378317 /nfs/dbraw/zinc/37/83/17/347378317.db2.gz OKKCIBOQIVWFHA-MRXNPFEDSA-N 2 1 277.456 3.028 20 30 CGEDMP CC(C)CCN(CCC#N)Cc1ccnn1-c1ccncc1 ZINC000596996322 347525684 /nfs/dbraw/zinc/52/56/84/347525684.db2.gz RUJMUXHJIJDUMK-UHFFFAOYSA-N 2 1 297.406 3.029 20 30 CGEDMP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CC[NH+](C)CC1 ZINC000596996565 347525825 /nfs/dbraw/zinc/52/58/25/347525825.db2.gz UMUTUUKORKLJFV-UHFFFAOYSA-N 2 1 297.446 3.015 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955163 347700605 /nfs/dbraw/zinc/70/06/05/347700605.db2.gz GVBIGBNWQCYOKU-XJKSGUPXSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955163 347700608 /nfs/dbraw/zinc/70/06/08/347700608.db2.gz GVBIGBNWQCYOKU-XJKSGUPXSA-N 2 1 271.408 3.082 20 30 CGEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995502 347705134 /nfs/dbraw/zinc/70/51/34/347705134.db2.gz ZOLNCTTYUWDKEK-KRWDZBQOSA-N 2 1 297.446 3.063 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000602501558 347970420 /nfs/dbraw/zinc/97/04/20/347970420.db2.gz HPMNGVTVCRQGBX-OAHLLOKOSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000602514444 347973780 /nfs/dbraw/zinc/97/37/80/347973780.db2.gz JNCICZOIHHRFLY-CVEARBPZSA-N 2 1 265.445 3.170 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603569 347991832 /nfs/dbraw/zinc/99/18/32/347991832.db2.gz DIZSGRXDTNRLCW-AEFFLSMTSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603569 347991835 /nfs/dbraw/zinc/99/18/35/347991835.db2.gz DIZSGRXDTNRLCW-AEFFLSMTSA-N 2 1 283.419 3.248 20 30 CGEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602545036 347978827 /nfs/dbraw/zinc/97/88/27/347978827.db2.gz LPTQCVGVMRQLOD-HOTGVXAUSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602545036 347978829 /nfs/dbraw/zinc/97/88/29/347978829.db2.gz LPTQCVGVMRQLOD-HOTGVXAUSA-N 2 1 279.472 3.416 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000602948841 348046903 /nfs/dbraw/zinc/04/69/03/348046903.db2.gz FJMZVHZWQIWXPN-HZPDHXFCSA-N 2 1 275.440 3.019 20 30 CGEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271472228 191157694 /nfs/dbraw/zinc/15/76/94/191157694.db2.gz MAIZRCXWBRWJIR-OAHLLOKOSA-N 2 1 290.426 3.387 20 30 CGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000179670346 189211974 /nfs/dbraw/zinc/21/19/74/189211974.db2.gz NBMSKULJOSDXDA-ZIAGYGMSSA-N 2 1 282.391 3.050 20 30 CGEDMP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103697 189346589 /nfs/dbraw/zinc/34/65/89/189346589.db2.gz HEVIFHPXPVFQMY-YJBOKZPZSA-N 2 1 297.446 3.301 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088923 370108068 /nfs/dbraw/zinc/10/80/68/370108068.db2.gz KQBRXQOMDBSYRQ-UHFFFAOYSA-N 2 1 288.435 3.025 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC000106246323 370351433 /nfs/dbraw/zinc/35/14/33/370351433.db2.gz CVBAGZBUBHRDTA-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000133114138 371227464 /nfs/dbraw/zinc/22/74/64/371227464.db2.gz UIKLBNTXNABWIZ-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000153037813 371745727 /nfs/dbraw/zinc/74/57/27/371745727.db2.gz RNLQJOXWEVPJLC-AWEZNQCLSA-N 2 1 250.430 3.195 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000353410103 220068171 /nfs/dbraw/zinc/06/81/71/220068171.db2.gz GLGYBGZVOMEKLQ-IBGZPJMESA-N 2 1 295.430 3.010 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442773372 373076147 /nfs/dbraw/zinc/07/61/47/373076147.db2.gz CJDCJZAXHJGYCI-YJBOKZPZSA-N 2 1 285.435 3.309 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000177917691 373727373 /nfs/dbraw/zinc/72/73/73/373727373.db2.gz JEALUPOPIODPOP-OAHLLOKOSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000509296663 375778081 /nfs/dbraw/zinc/77/80/81/375778081.db2.gz NUCJIQKIELJJQJ-KRWDZBQOSA-N 2 1 264.457 3.397 20 30 CGEDMP CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815536 377094714 /nfs/dbraw/zinc/09/47/14/377094714.db2.gz REZWONOPZNGQEG-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815536 377094722 /nfs/dbraw/zinc/09/47/22/377094722.db2.gz REZWONOPZNGQEG-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815536 377094728 /nfs/dbraw/zinc/09/47/28/377094728.db2.gz REZWONOPZNGQEG-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815536 377094736 /nfs/dbraw/zinc/09/47/36/377094736.db2.gz REZWONOPZNGQEG-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713493 377385360 /nfs/dbraw/zinc/38/53/60/377385360.db2.gz BOUUWYXAQLWJJJ-QAPCUYQASA-N 2 1 285.435 3.310 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249281882 377486921 /nfs/dbraw/zinc/48/69/21/377486921.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249281882 377486923 /nfs/dbraw/zinc/48/69/23/377486923.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249281882 377486928 /nfs/dbraw/zinc/48/69/28/377486928.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249281882 377486935 /nfs/dbraw/zinc/48/69/35/377486935.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249391117 377497081 /nfs/dbraw/zinc/49/70/81/377497081.db2.gz RKPWZXSXALWVEE-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249391117 377497088 /nfs/dbraw/zinc/49/70/88/377497088.db2.gz RKPWZXSXALWVEE-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000343624628 378045327 /nfs/dbraw/zinc/04/53/27/378045327.db2.gz WYPSMNKKYAUOIL-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000343624628 378045330 /nfs/dbraw/zinc/04/53/30/378045330.db2.gz WYPSMNKKYAUOIL-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274871090 378911790 /nfs/dbraw/zinc/91/17/90/378911790.db2.gz XDCDWWCJPLEJEZ-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274871090 378911792 /nfs/dbraw/zinc/91/17/92/378911792.db2.gz XDCDWWCJPLEJEZ-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000373240191 379248161 /nfs/dbraw/zinc/24/81/61/379248161.db2.gz CFHKLUHUGGAYOK-UHFFFAOYSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000373240191 379248167 /nfs/dbraw/zinc/24/81/67/379248167.db2.gz CFHKLUHUGGAYOK-UHFFFAOYSA-N 2 1 250.430 3.293 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672531 379593606 /nfs/dbraw/zinc/59/36/06/379593606.db2.gz NVCUDPBQVMLAQS-WMZOPIPTSA-N 2 1 297.446 3.180 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000351606573 379729598 /nfs/dbraw/zinc/72/95/98/379729598.db2.gz DHPSEXWIDVFRGV-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231105 380136392 /nfs/dbraw/zinc/13/63/92/380136392.db2.gz ZVADPRNJWMUUFL-IAGOWNOFSA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231105 380136398 /nfs/dbraw/zinc/13/63/98/380136398.db2.gz ZVADPRNJWMUUFL-IAGOWNOFSA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000421351587 380890638 /nfs/dbraw/zinc/89/06/38/380890638.db2.gz ZUPCPGZZOMELSV-CQSZACIVSA-N 2 1 289.398 3.051 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361435821 381745840 /nfs/dbraw/zinc/74/58/40/381745840.db2.gz OGWHVVRJGAUOQS-BRWVUGGUSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361435821 381745843 /nfs/dbraw/zinc/74/58/43/381745843.db2.gz OGWHVVRJGAUOQS-BRWVUGGUSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309917173 542427233 /nfs/dbraw/zinc/42/72/33/542427233.db2.gz OXBNTAWMLQQAHP-WBVHZDCISA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000122760926 392422757 /nfs/dbraw/zinc/42/27/57/392422757.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000122760926 392422765 /nfs/dbraw/zinc/42/27/65/392422765.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000122760926 392422771 /nfs/dbraw/zinc/42/27/71/392422771.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000122760926 392422776 /nfs/dbraw/zinc/42/27/76/392422776.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C#Cc1ccc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)cc1 ZINC000290530849 392449121 /nfs/dbraw/zinc/44/91/21/392449121.db2.gz QPZDYHKQDWUJTJ-UHFFFAOYSA-N 2 1 295.430 3.339 20 30 CGEDMP C#Cc1ccc(C[N@H+](C)CCCc2[nH+]ccn2CCC)cc1 ZINC000290530849 392449126 /nfs/dbraw/zinc/44/91/26/392449126.db2.gz QPZDYHKQDWUJTJ-UHFFFAOYSA-N 2 1 295.430 3.339 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078521 392945873 /nfs/dbraw/zinc/94/58/73/392945873.db2.gz DAJBXPMWTXSQOB-DSLXNQLJSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460822 /nfs/dbraw/zinc/46/08/22/393460822.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460825 /nfs/dbraw/zinc/46/08/25/393460825.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460830 /nfs/dbraw/zinc/46/08/30/393460830.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP C[N@@H+](CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000453408155 394236785 /nfs/dbraw/zinc/23/67/85/394236785.db2.gz SIAHFJHAWPSIBG-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037233734 173053182 /nfs/dbraw/zinc/05/31/82/173053182.db2.gz IIUSCPHTVLSQOF-INIZCTEOSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662299477 419386983 /nfs/dbraw/zinc/38/69/83/419386983.db2.gz QWHSCYRYJUWJKG-HNNXBMFYSA-N 2 1 270.420 3.120 20 30 CGEDMP C#CCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090399029 260259174 /nfs/dbraw/zinc/25/91/74/260259174.db2.gz UMKRUHSPCMYFFV-UHFFFAOYSA-N 2 1 284.447 3.087 20 30 CGEDMP C=CCC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990902 330163004 /nfs/dbraw/zinc/16/30/04/330163004.db2.gz AIZIYRLHRNHNIL-DJIMGWMZSA-N 2 1 258.409 3.424 20 30 CGEDMP CC#CCC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000462338872 331320092 /nfs/dbraw/zinc/32/00/92/331320092.db2.gz GJRRNHCZROTDDV-UHFFFAOYSA-N 2 1 276.468 3.234 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000483305255 331868392 /nfs/dbraw/zinc/86/83/92/331868392.db2.gz LDCFQABZPDFVLU-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759350 333148347 /nfs/dbraw/zinc/14/83/47/333148347.db2.gz VNLBSKPJSNWHLK-HOTGVXAUSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000187220291 333168702 /nfs/dbraw/zinc/16/87/02/333168702.db2.gz RDGJZLTZAOVFFH-NVXWUHKLSA-N 2 1 262.441 3.219 20 30 CGEDMP C=CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110230 334072956 /nfs/dbraw/zinc/07/29/56/334072956.db2.gz MJHAALBOECTCGT-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110230 334072957 /nfs/dbraw/zinc/07/29/57/334072957.db2.gz MJHAALBOECTCGT-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110230 334072958 /nfs/dbraw/zinc/07/29/58/334072958.db2.gz MJHAALBOECTCGT-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248811204 334318023 /nfs/dbraw/zinc/31/80/23/334318023.db2.gz KNLOEBAGJGQFSA-XMTFNYHQSA-N 2 1 291.483 3.416 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC000153012914 334540756 /nfs/dbraw/zinc/54/07/56/334540756.db2.gz VBZKNNWSYJWELV-OAHLLOKOSA-N 2 1 252.446 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000153037917 334548653 /nfs/dbraw/zinc/54/86/53/334548653.db2.gz RNLQJOXWEVPJLC-CQSZACIVSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000384892055 336133835 /nfs/dbraw/zinc/13/38/35/336133835.db2.gz YLYDZIPBXNQUMR-UHFFFAOYSA-N 2 1 286.463 3.495 20 30 CGEDMP C=CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310909990 618875696 /nfs/dbraw/zinc/87/56/96/618875696.db2.gz GXUJZRMBQDBNAW-HZPDHXFCSA-N 2 1 250.430 3.339 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000895375462 619817060 /nfs/dbraw/zinc/81/70/60/619817060.db2.gz BNANXKGHBNPUIQ-CJNGLKHVSA-N 2 1 291.464 3.172 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000895375462 619817061 /nfs/dbraw/zinc/81/70/61/619817061.db2.gz BNANXKGHBNPUIQ-CJNGLKHVSA-N 2 1 291.464 3.172 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742161 621421948 /nfs/dbraw/zinc/42/19/48/621421948.db2.gz KZFIZTWRVZQUJA-MAUKXSAKSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCCO1 ZINC000902795679 621450979 /nfs/dbraw/zinc/45/09/79/621450979.db2.gz FONBANJQWHASIK-OKZBNKHCSA-N 2 1 294.483 3.212 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069454 621568149 /nfs/dbraw/zinc/56/81/49/621568149.db2.gz HDLUJGQSJYCCSS-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000903750027 621799932 /nfs/dbraw/zinc/79/99/32/621799932.db2.gz UBSMHYPZMPQISI-DLBZAZTESA-N 2 1 289.467 3.172 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311718 621902571 /nfs/dbraw/zinc/90/25/71/621902571.db2.gz ADNJOHQIJWMQOQ-GOSISDBHSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311718 621902575 /nfs/dbraw/zinc/90/25/75/621902575.db2.gz ADNJOHQIJWMQOQ-GOSISDBHSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000817965166 632260316 /nfs/dbraw/zinc/26/03/16/632260316.db2.gz QMHDFGCIGCTPTK-ZDUSSCGKSA-N 2 1 294.826 3.350 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000873151140 634258822 /nfs/dbraw/zinc/25/88/22/634258822.db2.gz AIVGPWPUZQPPOI-UHFFFAOYSA-N 2 1 281.469 3.287 20 30 CGEDMP C#CCCCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779681 634897869 /nfs/dbraw/zinc/89/78/69/634897869.db2.gz BLGCQGASYGZDSQ-SFHVURJKSA-N 2 1 276.468 3.234 20 30 CGEDMP C#CCCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000876779681 634897872 /nfs/dbraw/zinc/89/78/72/634897872.db2.gz BLGCQGASYGZDSQ-SFHVURJKSA-N 2 1 276.468 3.234 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000876779681 634897875 /nfs/dbraw/zinc/89/78/75/634897875.db2.gz BLGCQGASYGZDSQ-SFHVURJKSA-N 2 1 276.468 3.234 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000877733024 635166834 /nfs/dbraw/zinc/16/68/34/635166834.db2.gz NIGPAPVOAYUWSZ-DOTOQJQBSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000877733024 635166840 /nfs/dbraw/zinc/16/68/40/635166840.db2.gz NIGPAPVOAYUWSZ-DOTOQJQBSA-N 2 1 277.456 3.313 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846172119 636153750 /nfs/dbraw/zinc/15/37/50/636153750.db2.gz WNZPTAYHDCSTHC-LJQANCHMSA-N 2 1 299.462 3.248 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846172119 636153753 /nfs/dbraw/zinc/15/37/53/636153753.db2.gz WNZPTAYHDCSTHC-LJQANCHMSA-N 2 1 299.462 3.248 20 30 CGEDMP CCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227160 636164429 /nfs/dbraw/zinc/16/44/29/636164429.db2.gz HTAPPNHCARBCGG-ZACQAIPSSA-N 2 1 282.472 3.318 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601406 638371946 /nfs/dbraw/zinc/37/19/46/638371946.db2.gz FFCRVHPLWMQBMQ-MRXNPFEDSA-N 2 1 299.462 3.353 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601406 638371952 /nfs/dbraw/zinc/37/19/52/638371952.db2.gz FFCRVHPLWMQBMQ-MRXNPFEDSA-N 2 1 299.462 3.353 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356629 639140749 /nfs/dbraw/zinc/14/07/49/639140749.db2.gz LTLGNNCSHNKVOL-UHFFFAOYSA-N 2 1 285.435 3.091 20 30 CGEDMP C=CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255384954 806630313 /nfs/dbraw/zinc/63/03/13/806630313.db2.gz CSAMJLHPYLBSPF-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP N#CC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCCC1 ZINC000925705250 800632370 /nfs/dbraw/zinc/63/23/70/800632370.db2.gz HKLZTPGSRWGBSI-SJORKVTESA-N 2 1 289.467 3.218 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256899579 807001669 /nfs/dbraw/zinc/00/16/69/807001669.db2.gz HGMHHGIBWHAPGG-OWCLPIDISA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899579 807001675 /nfs/dbraw/zinc/00/16/75/807001675.db2.gz HGMHHGIBWHAPGG-OWCLPIDISA-N 2 1 275.440 3.065 20 30 CGEDMP C[NH+](C)CC1(C[N@H+](C)Cc2cccc(C#N)c2)CCCC1 ZINC001208187194 813736092 /nfs/dbraw/zinc/73/60/92/813736092.db2.gz INEWSVQPAZOZSN-UHFFFAOYSA-N 2 1 285.435 3.112 20 30 CGEDMP C[NH+](C)CC1(C[N@@H+](C)Cc2cccc(C#N)c2)CCCC1 ZINC001208187194 813736098 /nfs/dbraw/zinc/73/60/98/813736098.db2.gz INEWSVQPAZOZSN-UHFFFAOYSA-N 2 1 285.435 3.112 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246262740 804243663 /nfs/dbraw/zinc/24/36/63/804243663.db2.gz QASMBYATFWMUCY-GVDBMIGSSA-N 2 1 284.488 3.074 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246264739 804245854 /nfs/dbraw/zinc/24/58/54/804245854.db2.gz LCFYTTUBGLMZIV-KBAYOESNSA-N 2 1 288.410 3.319 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246327568 804284524 /nfs/dbraw/zinc/28/45/24/804284524.db2.gz OKOJCBDYEZZKMM-GJZGRUSLSA-N 2 1 288.435 3.433 20 30 CGEDMP C=C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1)c1ccccc1 ZINC001246486822 804356847 /nfs/dbraw/zinc/35/68/47/804356847.db2.gz FMSKTMHIPOPQEV-BBWFWOEESA-N 2 1 258.409 3.280 20 30 CGEDMP C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246572415 804418687 /nfs/dbraw/zinc/41/86/87/804418687.db2.gz XDTXFLKSLOOIMQ-IZIZEDOESA-N 2 1 297.446 3.060 20 30 CGEDMP C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246572415 804418692 /nfs/dbraw/zinc/41/86/92/804418692.db2.gz XDTXFLKSLOOIMQ-IZIZEDOESA-N 2 1 297.446 3.060 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612776 804447606 /nfs/dbraw/zinc/44/76/06/804447606.db2.gz HQSOYQNFWFPWCZ-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628059 804458669 /nfs/dbraw/zinc/45/86/69/804458669.db2.gz AAKPZXRCSVLQGQ-FGTMMUONSA-N 2 1 296.499 3.436 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647855 804474805 /nfs/dbraw/zinc/47/48/05/804474805.db2.gz UKLRGFNSVKIDDE-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647851 804474968 /nfs/dbraw/zinc/47/49/68/804474968.db2.gz UKLRGFNSVKIDDE-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246675001 804490471 /nfs/dbraw/zinc/49/04/71/804490471.db2.gz QGRBMIPRRDJXIS-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921883 804602694 /nfs/dbraw/zinc/60/26/94/804602694.db2.gz TUDKCAXWCWIWKC-KGLIPLIRSA-N 2 1 252.446 3.440 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927157 804603925 /nfs/dbraw/zinc/60/39/25/804603925.db2.gz GOHRUPIMLMREMP-SJORKVTESA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927157 804603928 /nfs/dbraw/zinc/60/39/28/804603928.db2.gz GOHRUPIMLMREMP-SJORKVTESA-N 2 1 284.488 3.436 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246948767 804616597 /nfs/dbraw/zinc/61/65/97/804616597.db2.gz LKBMUTOJGXGMBL-MRXNPFEDSA-N 2 1 262.441 3.482 20 30 CGEDMP C=C(C)C[N@H+](CC)Cc1cccc(-n2ccnc2)c1 ZINC001141244424 804624752 /nfs/dbraw/zinc/62/47/52/804624752.db2.gz NFUZVLBFZKXYPE-UHFFFAOYSA-N 2 1 255.365 3.270 20 30 CGEDMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011254 807025709 /nfs/dbraw/zinc/02/57/09/807025709.db2.gz INTWESBAVMYWBU-IVMQYODDSA-N 2 1 297.446 3.126 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CC)CCC[NH+](C)C)C[C@H](C1)C2 ZINC001257894558 807244275 /nfs/dbraw/zinc/24/42/75/807244275.db2.gz ZUHRJHBKFRDINZ-SJPCQFCGSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170061063 807743197 /nfs/dbraw/zinc/74/31/97/807743197.db2.gz ZKFSNQOZQYQGGW-KRWDZBQOSA-N 2 1 287.451 3.183 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001171203095 808009181 /nfs/dbraw/zinc/00/91/81/808009181.db2.gz IXPLBKPQJYOTGZ-MRXNPFEDSA-N 2 1 297.446 3.049 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001171230062 808014415 /nfs/dbraw/zinc/01/44/15/808014415.db2.gz SGXPIQXVMDQUOJ-CQSZACIVSA-N 2 1 294.402 3.025 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC001172100968 808172793 /nfs/dbraw/zinc/17/27/93/808172793.db2.gz VHHAQOCDEMATES-PILAGYSTSA-N 2 1 283.419 3.224 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC001172100968 808172794 /nfs/dbraw/zinc/17/27/94/808172794.db2.gz VHHAQOCDEMATES-PILAGYSTSA-N 2 1 283.419 3.224 20 30 CGEDMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308577 808223056 /nfs/dbraw/zinc/22/30/56/808223056.db2.gz YQQMUMKXGHMQIC-MRXNPFEDSA-N 2 1 299.462 3.295 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172350731 808247739 /nfs/dbraw/zinc/24/77/39/808247739.db2.gz PLTKXXUQWGENMK-GOSISDBHSA-N 2 1 297.531 3.353 20 30 CGEDMP C[C@H](CCCC#N)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172481552 808344464 /nfs/dbraw/zinc/34/44/64/808344464.db2.gz WBBSUUVQLYVHEA-CQSZACIVSA-N 2 1 251.418 3.052 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172506929 808362333 /nfs/dbraw/zinc/36/23/33/808362333.db2.gz MECKKNLNQVVGJR-HNNXBMFYSA-N 2 1 265.445 3.121 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001276856976 809037318 /nfs/dbraw/zinc/03/73/18/809037318.db2.gz QELFZCYYQOZUHB-UHFFFAOYSA-N 2 1 297.446 3.175 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210868 812909492 /nfs/dbraw/zinc/90/94/92/812909492.db2.gz SDCFPARYRGNPKE-QGZVFWFLSA-N 2 1 284.488 3.303 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205652951 813041309 /nfs/dbraw/zinc/04/13/09/813041309.db2.gz RMHNTGSUWKQNKK-DOMZBBRYSA-N 2 1 291.826 3.018 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205665704 813047252 /nfs/dbraw/zinc/04/72/52/813047252.db2.gz UAXBBGZNQBBLBF-VMSUTVGLSA-N 2 1 282.472 3.079 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001205803351 813083574 /nfs/dbraw/zinc/08/35/74/813083574.db2.gz GKACAWKWWQHQQQ-USXIJHARSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001205803351 813083585 /nfs/dbraw/zinc/08/35/85/813083585.db2.gz GKACAWKWWQHQQQ-USXIJHARSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CC1 ZINC001205904928 813128160 /nfs/dbraw/zinc/12/81/60/813128160.db2.gz YPVACVSCGNKNIG-USXIJHARSA-N 2 1 262.441 3.348 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156251 813216985 /nfs/dbraw/zinc/21/69/85/813216985.db2.gz PJUSLFTVJOETJR-HUUCEWRRSA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156251 813216989 /nfs/dbraw/zinc/21/69/89/813216989.db2.gz PJUSLFTVJOETJR-HUUCEWRRSA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209158634 813951646 /nfs/dbraw/zinc/95/16/46/813951646.db2.gz TWCDAVAAPPGDSL-UHFFFAOYSA-N 2 1 262.441 3.293 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001232146213 818263990 /nfs/dbraw/zinc/26/39/90/818263990.db2.gz LVHSOJGWVMZBDN-CQSZACIVSA-N 2 1 289.398 3.013 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001232844322 818454753 /nfs/dbraw/zinc/45/47/53/818454753.db2.gz ZCYVYTCOUGNIFU-UHFFFAOYSA-N 2 1 291.464 3.172 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027273 818982556 /nfs/dbraw/zinc/98/25/56/818982556.db2.gz ZUGYIUAFYKLMTO-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1C#N ZINC001235159479 819019908 /nfs/dbraw/zinc/01/99/08/819019908.db2.gz XCXGWHGHUYPZLA-IBGZPJMESA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283997 819060482 /nfs/dbraw/zinc/06/04/82/819060482.db2.gz SGKBFJIJRMITCE-MUJYYYPQSA-N 2 1 250.430 3.182 20 30 CGEDMP CCCCCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235947121 819236539 /nfs/dbraw/zinc/23/65/39/819236539.db2.gz WLHWBZQBSIWXSH-UHFFFAOYSA-N 2 1 284.488 3.437 20 30 CGEDMP C=CCCCCCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235950343 819239953 /nfs/dbraw/zinc/23/99/53/819239953.db2.gz BIRYUNWXWIPHOE-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CC[N@H+](Cc1cccc(C[NH3+])c1)C1CCCCC1 ZINC001236433992 819476666 /nfs/dbraw/zinc/47/66/66/819476666.db2.gz NJMVORGZDZQPRP-UHFFFAOYSA-N 2 1 258.409 3.466 20 30 CGEDMP CCCCCCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433662 819476797 /nfs/dbraw/zinc/47/67/97/819476797.db2.gz GQZQJXNHMDGEIT-OAHLLOKOSA-N 2 1 258.425 3.500 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433662 819476799 /nfs/dbraw/zinc/47/67/99/819476799.db2.gz GQZQJXNHMDGEIT-OAHLLOKOSA-N 2 1 258.425 3.500 20 30 CGEDMP CCc1cc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001236478736 819495482 /nfs/dbraw/zinc/49/54/82/819495482.db2.gz NNMDCXHKASRAOI-LJQANCHMSA-N 2 1 299.462 3.331 20 30 CGEDMP CCc1cc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001236478736 819495486 /nfs/dbraw/zinc/49/54/86/819495486.db2.gz NNMDCXHKASRAOI-LJQANCHMSA-N 2 1 299.462 3.331 20 30 CGEDMP C=CCCC[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502635 819505998 /nfs/dbraw/zinc/50/59/98/819505998.db2.gz VTRHLESOMCABAN-UHFFFAOYSA-N 2 1 294.389 3.485 20 30 CGEDMP C=CCCC[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC001236502635 819506002 /nfs/dbraw/zinc/50/60/02/819506002.db2.gz VTRHLESOMCABAN-UHFFFAOYSA-N 2 1 294.389 3.485 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001346196191 936841345 /nfs/dbraw/zinc/84/13/45/936841345.db2.gz YIJBXJIIOSDJGH-QXSJWSMHSA-N 2 1 250.430 3.194 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925409 933958754 /nfs/dbraw/zinc/95/87/54/933958754.db2.gz MJVWCPKIUIRUPD-LPHOPBHVSA-N 2 1 297.446 3.257 20 30 CGEDMP C#Cc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC001574757623 962323344 /nfs/dbraw/zinc/32/33/44/962323344.db2.gz WGOZWZMPWQPAFZ-UHFFFAOYSA-N 2 1 270.420 3.009 20 30 CGEDMP CC(C)(C#N)c1ccccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001575099499 962340339 /nfs/dbraw/zinc/34/03/39/962340339.db2.gz KZMHMCHDDXOJQO-MRXNPFEDSA-N 2 1 285.435 3.191 20 30 CGEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC001575099499 962340358 /nfs/dbraw/zinc/34/03/58/962340358.db2.gz KZMHMCHDDXOJQO-MRXNPFEDSA-N 2 1 285.435 3.191 20 30 CGEDMP CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(s1)CC[NH2+]C2 ZINC001575133355 962353994 /nfs/dbraw/zinc/35/39/94/962353994.db2.gz VUGGZUXVGRVRQU-UHFFFAOYSA-N 2 1 291.464 3.156 20 30 CGEDMP CC(C)(C)C[N@@H+](CCC#N)Cc1cc2c(s1)CC[NH2+]C2 ZINC001575133355 962354003 /nfs/dbraw/zinc/35/40/03/962354003.db2.gz VUGGZUXVGRVRQU-UHFFFAOYSA-N 2 1 291.464 3.156 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CC[NH3+] ZINC001576709856 962487625 /nfs/dbraw/zinc/48/76/25/962487625.db2.gz WOQJXEFEQRETBP-CVEARBPZSA-N 2 1 277.456 3.300 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602516443 347974324 /nfs/dbraw/zinc/97/43/24/347974324.db2.gz LVYSBVUFXFYEHI-MRXNPFEDSA-N 2 1 299.462 3.489 20 30 CGEDMP N#CCC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000602821978 348033975 /nfs/dbraw/zinc/03/39/75/348033975.db2.gz QEEBNYDWUKMEGW-UHFFFAOYSA-N 2 1 298.434 3.093 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628212125 350442191 /nfs/dbraw/zinc/44/21/91/350442191.db2.gz LBNVBVWVLABPJN-MRXNPFEDSA-N 2 1 272.436 3.339 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265730 283197399 /nfs/dbraw/zinc/19/73/99/283197399.db2.gz RGJIRTHPURBNII-ZWKOTPCHSA-N 2 1 283.419 3.043 20 30 CGEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C#N)CC1 ZINC000123734728 370914901 /nfs/dbraw/zinc/91/49/01/370914901.db2.gz IPVBQJLTOXGZKU-UHFFFAOYSA-N 2 1 299.462 3.380 20 30 CGEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C#N)CC1 ZINC000123734728 370914907 /nfs/dbraw/zinc/91/49/07/370914907.db2.gz IPVBQJLTOXGZKU-UHFFFAOYSA-N 2 1 299.462 3.380 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000037150322 369069880 /nfs/dbraw/zinc/06/98/80/369069880.db2.gz SMHZPKFINXJNGA-HNNXBMFYSA-N 2 1 285.435 3.473 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000129490811 370990528 /nfs/dbraw/zinc/99/05/28/370990528.db2.gz FVWFQJRUZQVUML-HLLBOEOZSA-N 2 1 264.457 3.441 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023412 372577492 /nfs/dbraw/zinc/57/74/92/372577492.db2.gz PRNXVXSLVZXYQU-ZWKOTPCHSA-N 2 1 285.435 3.495 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1F ZINC000442794826 373086149 /nfs/dbraw/zinc/08/61/49/373086149.db2.gz QKHKPGFQNUYSLN-HIFRSBDPSA-N 2 1 298.365 3.102 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449120466 373664226 /nfs/dbraw/zinc/66/42/26/373664226.db2.gz DBQBFTXPMIJUTQ-ZMSDIMECSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000449604039 373833568 /nfs/dbraw/zinc/83/35/68/373833568.db2.gz IVRFDSQPJUMRLJ-JKSUJKDBSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000538147712 376223059 /nfs/dbraw/zinc/22/30/59/376223059.db2.gz LCENPBOACRUSPU-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000153002349 542109921 /nfs/dbraw/zinc/10/99/21/542109921.db2.gz ODGQYKQIVNFSFU-SFHVURJKSA-N 2 1 288.410 3.443 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000245967432 376946677 /nfs/dbraw/zinc/94/66/77/376946677.db2.gz USRMPAAPLPQQIB-NVXWUHKLSA-N 2 1 264.457 3.441 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248722416 377387815 /nfs/dbraw/zinc/38/78/15/377387815.db2.gz CKZLOLWNUCCUEM-MSOLQXFVSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248867804 377416430 /nfs/dbraw/zinc/41/64/30/377416430.db2.gz QHLOVRYTKBWRIU-QEOTZNIISA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248867804 377416434 /nfs/dbraw/zinc/41/64/34/377416434.db2.gz QHLOVRYTKBWRIU-QEOTZNIISA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507113 378401679 /nfs/dbraw/zinc/40/16/79/378401679.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507113 378401683 /nfs/dbraw/zinc/40/16/83/378401683.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507113 378401687 /nfs/dbraw/zinc/40/16/87/378401687.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507113 378401693 /nfs/dbraw/zinc/40/16/93/378401693.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C#CCCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272717776 378693780 /nfs/dbraw/zinc/69/37/80/378693780.db2.gz DSYVXBXTPIXTBS-HKUYNNGSSA-N 2 1 284.447 3.290 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000348049008 378766497 /nfs/dbraw/zinc/76/64/97/378766497.db2.gz HXVRXEBURZIDCE-SFHVURJKSA-N 2 1 294.483 3.167 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(C#N)cc1 ZINC000279010020 194248685 /nfs/dbraw/zinc/24/86/85/194248685.db2.gz SRTHPPZHQXLGFQ-NVXWUHKLSA-N 2 1 294.402 3.058 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414177453 380199765 /nfs/dbraw/zinc/19/97/65/380199765.db2.gz IYZSISZLPXNCTK-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282424689 392290979 /nfs/dbraw/zinc/29/09/79/392290979.db2.gz HACXPUMQGWGMRM-GOSISDBHSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282424689 392290990 /nfs/dbraw/zinc/29/09/90/392290990.db2.gz HACXPUMQGWGMRM-GOSISDBHSA-N 2 1 284.447 3.290 20 30 CGEDMP Cc1cc(C#N)ccc1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000186241732 392780071 /nfs/dbraw/zinc/78/00/71/392780071.db2.gz DYHKQWKQCGGYMI-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000186241732 392780074 /nfs/dbraw/zinc/78/00/74/392780074.db2.gz DYHKQWKQCGGYMI-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000186241732 392780080 /nfs/dbraw/zinc/78/00/80/392780080.db2.gz DYHKQWKQCGGYMI-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000186241732 392780087 /nfs/dbraw/zinc/78/00/87/392780087.db2.gz DYHKQWKQCGGYMI-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000186241732 392780091 /nfs/dbraw/zinc/78/00/91/392780091.db2.gz DYHKQWKQCGGYMI-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356169295 393366094 /nfs/dbraw/zinc/36/60/94/393366094.db2.gz RHIRIEGYDGCRIJ-NSHDSACASA-N 2 1 299.340 3.007 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C#N ZINC000488405922 393499970 /nfs/dbraw/zinc/49/99/70/393499970.db2.gz JYVZHMUZESHKDC-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C#N ZINC000488405922 393499974 /nfs/dbraw/zinc/49/99/74/393499974.db2.gz JYVZHMUZESHKDC-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP C=CCCCCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667649871 542905332 /nfs/dbraw/zinc/90/53/32/542905332.db2.gz FDIXMTXMANWPOP-UHFFFAOYSA-N 2 1 284.407 3.446 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000668493358 543021015 /nfs/dbraw/zinc/02/10/15/543021015.db2.gz NGIYPVUMXJICSL-MRXNPFEDSA-N 2 1 296.418 3.364 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000675828725 543367814 /nfs/dbraw/zinc/36/78/14/543367814.db2.gz ZRJNMJUCOHWNOZ-AWEZNQCLSA-N 2 1 278.465 3.309 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250172 419092189 /nfs/dbraw/zinc/09/21/89/419092189.db2.gz JHQAXRAAEOLGOO-BURFUSLBSA-N 2 1 272.436 3.322 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228373 419684278 /nfs/dbraw/zinc/68/42/78/419684278.db2.gz IIWUWWGJUFCIBH-CABCVRRESA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228373 419684282 /nfs/dbraw/zinc/68/42/82/419684282.db2.gz IIWUWWGJUFCIBH-CABCVRRESA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000340913284 263314364 /nfs/dbraw/zinc/31/43/64/263314364.db2.gz NSEXBCIULDLBKB-OAHLLOKOSA-N 2 1 275.440 3.419 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174876694 329164426 /nfs/dbraw/zinc/16/44/26/329164426.db2.gz FRIJQLVMDOSXDT-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459733558 331296679 /nfs/dbraw/zinc/29/66/79/331296679.db2.gz NVFSERFAIZHYCW-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536277 332231808 /nfs/dbraw/zinc/23/18/08/332231808.db2.gz IXVIOBYWXAMIKH-RTBURBONSA-N 2 1 296.458 3.431 20 30 CGEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536277 332231810 /nfs/dbraw/zinc/23/18/10/332231810.db2.gz IXVIOBYWXAMIKH-RTBURBONSA-N 2 1 296.458 3.431 20 30 CGEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789942 333049451 /nfs/dbraw/zinc/04/94/51/333049451.db2.gz OIUZWQSGKNUJRC-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000358561344 533983963 /nfs/dbraw/zinc/98/39/63/533983963.db2.gz GIWQCQUPYTUPRM-CFVMTHIKSA-N 2 1 289.398 3.221 20 30 CGEDMP C=CCCC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352739854 527272785 /nfs/dbraw/zinc/27/27/85/527272785.db2.gz RJDVHORPUAUDFU-GFCCVEGCSA-N 2 1 267.442 3.039 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000924542112 618810592 /nfs/dbraw/zinc/81/05/92/618810592.db2.gz PJKHWVARYYGJBQ-CQSZACIVSA-N 2 1 265.445 3.169 20 30 CGEDMP C#CCCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000177561336 618829170 /nfs/dbraw/zinc/82/91/70/618829170.db2.gz KVJZHWGPAIJWTA-UHFFFAOYSA-N 2 1 272.436 3.148 20 30 CGEDMP C#C[C@H](C)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000775183049 619002811 /nfs/dbraw/zinc/00/28/11/619002811.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@H](C)[N@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000775183049 619002801 /nfs/dbraw/zinc/00/28/01/619002801.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@H](C)[N@@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000775183049 619002804 /nfs/dbraw/zinc/00/28/04/619002804.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@H](C)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000775183049 619002807 /nfs/dbraw/zinc/00/28/07/619002807.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000775183049 619002808 /nfs/dbraw/zinc/00/28/08/619002808.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@H](C)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000775183049 619002814 /nfs/dbraw/zinc/00/28/14/619002814.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 2 1 272.436 3.098 20 30 CGEDMP CSc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1C#N ZINC000925773643 619235039 /nfs/dbraw/zinc/23/50/39/619235039.db2.gz NXIYEKJMNWKJQF-HUUCEWRRSA-N 2 1 289.448 3.030 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CC[NH3+] ZINC000903768415 621803651 /nfs/dbraw/zinc/80/36/51/621803651.db2.gz MTELAROYOXWROM-JKSUJKDBSA-N 2 1 277.456 3.300 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697794 623512260 /nfs/dbraw/zinc/51/22/60/623512260.db2.gz VFVORXMDNKQUIW-KRWDZBQOSA-N 2 1 297.446 3.093 20 30 CGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921538129 625657448 /nfs/dbraw/zinc/65/74/48/625657448.db2.gz UIZMWYPRIKGXFV-KBPBESRZSA-N 2 1 291.464 3.077 20 30 CGEDMP C#CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000766902654 627369595 /nfs/dbraw/zinc/36/95/95/627369595.db2.gz MMYCGFAXIXUWKL-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000766902654 627369598 /nfs/dbraw/zinc/36/95/98/627369598.db2.gz MMYCGFAXIXUWKL-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000766902654 627369609 /nfs/dbraw/zinc/36/96/09/627369609.db2.gz MMYCGFAXIXUWKL-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1C#N ZINC000866706243 633234060 /nfs/dbraw/zinc/23/40/60/633234060.db2.gz AUWOYYUSNWFOME-GOSISDBHSA-N 2 1 285.435 3.064 20 30 CGEDMP N#CC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000877733462 635168096 /nfs/dbraw/zinc/16/80/96/635168096.db2.gz SOKPYWSSMNULFP-HTWSVDAQSA-N 2 1 289.467 3.455 20 30 CGEDMP N#CC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000877733462 635168098 /nfs/dbraw/zinc/16/80/98/635168098.db2.gz SOKPYWSSMNULFP-HTWSVDAQSA-N 2 1 289.467 3.455 20 30 CGEDMP C[NH+](C)C1(C)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000931353333 639139750 /nfs/dbraw/zinc/13/97/50/639139750.db2.gz AEJQAMNZPKAHJQ-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403276 640755269 /nfs/dbraw/zinc/75/52/69/640755269.db2.gz OIRASKUVTRMHJL-VAMGGRTRSA-N 2 1 296.458 3.290 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252128543 806014575 /nfs/dbraw/zinc/01/45/75/806014575.db2.gz OOSCZORYSYMXEN-GOSISDBHSA-N 2 1 298.515 3.372 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252136401 806022532 /nfs/dbraw/zinc/02/25/32/806022532.db2.gz PMEQWGTYXDVFQN-ZWKOTPCHSA-N 2 1 298.515 3.419 20 30 CGEDMP C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC001255019620 806527448 /nfs/dbraw/zinc/52/74/48/806527448.db2.gz RURCURBEVGMFDT-CJNGLKHVSA-N 2 1 285.391 3.032 20 30 CGEDMP CC[C@H](CC#N)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162680 806560934 /nfs/dbraw/zinc/56/09/34/806560934.db2.gz WKGXHENHWHFOEH-IIAWOOMASA-N 2 1 263.429 3.193 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523550 806909896 /nfs/dbraw/zinc/90/98/96/806909896.db2.gz PVVHOEVZDPOKCD-DOTOQJQBSA-N 2 1 270.420 3.041 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523550 806909900 /nfs/dbraw/zinc/90/99/00/806909900.db2.gz PVVHOEVZDPOKCD-DOTOQJQBSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553524 806915425 /nfs/dbraw/zinc/91/54/25/806915425.db2.gz HXVPDIPFWPWXLD-QWFCFKBJSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553524 806915430 /nfs/dbraw/zinc/91/54/30/806915430.db2.gz HXVPDIPFWPWXLD-QWFCFKBJSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553524 806915438 /nfs/dbraw/zinc/91/54/38/806915438.db2.gz HXVPDIPFWPWXLD-QWFCFKBJSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553524 806915447 /nfs/dbraw/zinc/91/54/47/806915447.db2.gz HXVPDIPFWPWXLD-QWFCFKBJSA-N 2 1 296.458 3.385 20 30 CGEDMP SCCCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909014 807007035 /nfs/dbraw/zinc/00/70/35/807007035.db2.gz QDDLBJNTSVJTTD-OAHLLOKOSA-N 2 1 284.513 3.473 20 30 CGEDMP SCCCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256909014 807007041 /nfs/dbraw/zinc/00/70/41/807007041.db2.gz QDDLBJNTSVJTTD-OAHLLOKOSA-N 2 1 284.513 3.473 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC001245982899 804092892 /nfs/dbraw/zinc/09/28/92/804092892.db2.gz HBLIWQKKFUDELW-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245980195 804092940 /nfs/dbraw/zinc/09/29/40/804092940.db2.gz HBLIWQKKFUDELW-IAGOWNOFSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246045505 804105241 /nfs/dbraw/zinc/10/52/41/804105241.db2.gz KTWFXQQKBBMFDR-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246045505 804105246 /nfs/dbraw/zinc/10/52/46/804105246.db2.gz KTWFXQQKBBMFDR-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246289044 804259871 /nfs/dbraw/zinc/25/98/71/804259871.db2.gz OCBMZJMIWBSQMK-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246302375 804267735 /nfs/dbraw/zinc/26/77/35/804267735.db2.gz XYAPNVRPFHEKAU-HOTGVXAUSA-N 3 1 271.493 3.375 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)N[C@H]([NH3+])CCC[NH3+] ZINC001246302375 804267729 /nfs/dbraw/zinc/26/77/29/804267729.db2.gz XYAPNVRPFHEKAU-HOTGVXAUSA-N 2 1 271.493 3.375 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](CC)C[C@H](C)CC ZINC001246302236 804267901 /nfs/dbraw/zinc/26/79/01/804267901.db2.gz BZFOLQPMRQSRBD-OAGGEKHMSA-N 2 1 298.471 3.018 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@H]3C[NH2+]CCC3(C)C)C[C@H](C1)C2 ZINC001246324019 804283184 /nfs/dbraw/zinc/28/31/84/804283184.db2.gz DSUUSYJXFRNEIR-QXULXFAOSA-N 2 1 262.441 3.099 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246329710 804284725 /nfs/dbraw/zinc/28/47/25/804284725.db2.gz WQVSTQPADQPZJE-ARFHVFGLSA-N 2 1 288.435 3.433 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454370 804336703 /nfs/dbraw/zinc/33/67/03/804336703.db2.gz RYOFQYTXFHKMPI-INIZCTEOSA-N 3 1 271.493 3.044 20 30 CGEDMP CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246493254 804359044 /nfs/dbraw/zinc/35/90/44/804359044.db2.gz YMFQEPXMGIYJNU-ROUUACIJSA-N 2 1 297.531 3.447 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001246507637 804365776 /nfs/dbraw/zinc/36/57/76/804365776.db2.gz ZLHUIPXQNXCFJM-OAHLLOKOSA-N 2 1 287.451 3.377 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585615 804430186 /nfs/dbraw/zinc/43/01/86/804430186.db2.gz PLDZYPBBHQEXBQ-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642122 804468794 /nfs/dbraw/zinc/46/87/94/804468794.db2.gz LJVDEEDHXSHFPS-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246661706 804485281 /nfs/dbraw/zinc/48/52/81/804485281.db2.gz HOGUTULEIDBXRF-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246661706 804485284 /nfs/dbraw/zinc/48/52/84/804485284.db2.gz HOGUTULEIDBXRF-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP N#CC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256953850 807015074 /nfs/dbraw/zinc/01/50/74/807015074.db2.gz PPJFIBZXFYINGN-UHFFFAOYSA-N 2 1 263.429 3.052 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246843478 804551674 /nfs/dbraw/zinc/55/16/74/804551674.db2.gz GIDYCQIETBJSNW-OAHLLOKOSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246843478 804551677 /nfs/dbraw/zinc/55/16/77/804551677.db2.gz GIDYCQIETBJSNW-OAHLLOKOSA-N 2 1 282.472 3.188 20 30 CGEDMP C=C(C)C[N@@H+](CC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246856086 804563185 /nfs/dbraw/zinc/56/31/85/804563185.db2.gz YWRPJYCYPCFYMI-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246856086 804563194 /nfs/dbraw/zinc/56/31/94/804563194.db2.gz YWRPJYCYPCFYMI-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246871064 804573505 /nfs/dbraw/zinc/57/35/05/804573505.db2.gz MTXOQNXUBXBYFT-SJLPKXTDSA-N 2 1 295.515 3.090 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC001173589350 808647486 /nfs/dbraw/zinc/64/74/86/808647486.db2.gz VIBRJULHWAHFSH-JSGMBBGDSA-N 2 1 275.440 3.064 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC001173589350 808647489 /nfs/dbraw/zinc/64/74/89/808647489.db2.gz VIBRJULHWAHFSH-JSGMBBGDSA-N 2 1 275.440 3.064 20 30 CGEDMP C#CCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001275975374 808981210 /nfs/dbraw/zinc/98/12/10/808981210.db2.gz AJVVWFSDGJGLBN-UHFFFAOYSA-N 2 1 274.452 3.130 20 30 CGEDMP N#CCCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277943566 809107114 /nfs/dbraw/zinc/10/71/14/809107114.db2.gz YYDQBBQTXWAYQZ-KRWDZBQOSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277943566 809107117 /nfs/dbraw/zinc/10/71/17/809107117.db2.gz YYDQBBQTXWAYQZ-KRWDZBQOSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277943566 809107120 /nfs/dbraw/zinc/10/71/20/809107120.db2.gz YYDQBBQTXWAYQZ-KRWDZBQOSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277943566 809107121 /nfs/dbraw/zinc/10/71/21/809107121.db2.gz YYDQBBQTXWAYQZ-KRWDZBQOSA-N 2 1 275.440 3.021 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431843 /nfs/dbraw/zinc/43/18/43/811431843.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431845 /nfs/dbraw/zinc/43/18/45/811431845.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431853 /nfs/dbraw/zinc/43/18/53/811431853.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431859 /nfs/dbraw/zinc/43/18/59/811431859.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 2 1 296.458 3.242 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001201840196 811969949 /nfs/dbraw/zinc/96/99/49/811969949.db2.gz OSMGGCMHCAOFLO-CVEARBPZSA-N 2 1 252.446 3.373 20 30 CGEDMP CCc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001204748319 812724932 /nfs/dbraw/zinc/72/49/32/812724932.db2.gz JARIWILBHBYJKI-UHFFFAOYSA-N 2 1 297.446 3.086 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602236 813017239 /nfs/dbraw/zinc/01/72/39/813017239.db2.gz HUWHXNBQFALXBY-CVEARBPZSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205638562 813036683 /nfs/dbraw/zinc/03/66/83/813036683.db2.gz PIAKLGOVETZDOR-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205995762 813156299 /nfs/dbraw/zinc/15/62/99/813156299.db2.gz PXPVFPMMWLMDAZ-WBVHZDCISA-N 2 1 288.435 3.058 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153949 813217169 /nfs/dbraw/zinc/21/71/69/813217169.db2.gz FNGKDBVONFWEIE-PMPSAXMXSA-N 2 1 266.404 3.050 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153949 813217174 /nfs/dbraw/zinc/21/71/74/813217174.db2.gz FNGKDBVONFWEIE-PMPSAXMXSA-N 2 1 266.404 3.050 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001206318819 813287342 /nfs/dbraw/zinc/28/73/42/813287342.db2.gz UOPHRPCEXFDYGZ-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209162257 813953716 /nfs/dbraw/zinc/95/37/16/813953716.db2.gz WGJIZPCNQJKIPE-MRXNPFEDSA-N 2 1 250.430 3.293 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161110 816365694 /nfs/dbraw/zinc/36/56/94/816365694.db2.gz LKBJDWHNPAYBSU-IBGZPJMESA-N 2 1 297.446 3.304 20 30 CGEDMP N#Cc1cccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172272 819022584 /nfs/dbraw/zinc/02/25/84/819022584.db2.gz LAFODVMIGRZCPY-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1cccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172272 819022589 /nfs/dbraw/zinc/02/25/89/819022589.db2.gz LAFODVMIGRZCPY-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP C[N@@H+](CCCC[NH3+])Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236141552 819342599 /nfs/dbraw/zinc/34/25/99/819342599.db2.gz ILADOXUSRIJHBA-UHFFFAOYSA-N 2 1 292.426 3.257 20 30 CGEDMP C=CC[N@@H+](CCC1CC[NH2+]CC1)C1CCCCC1 ZINC001236433200 819476656 /nfs/dbraw/zinc/47/66/56/819476656.db2.gz GXNRKUTZMNUUQT-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP Cc1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C#N)c1 ZINC001236458577 819486058 /nfs/dbraw/zinc/48/60/58/819486058.db2.gz YCJBPNSTVPWVMO-UHFFFAOYSA-N 2 1 299.462 3.467 20 30 CGEDMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C#N)c1 ZINC001236458577 819486061 /nfs/dbraw/zinc/48/60/61/819486061.db2.gz YCJBPNSTVPWVMO-UHFFFAOYSA-N 2 1 299.462 3.467 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236821544 819608067 /nfs/dbraw/zinc/60/80/67/819608067.db2.gz VKJSPVOWJBMJCI-ARFHVFGLSA-N 2 1 250.430 3.182 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](CCC)C[C@H]2CC[NH2+]C2)cc1 ZINC001236836199 819614614 /nfs/dbraw/zinc/61/46/14/819614614.db2.gz SUXDUVBNJPAIDS-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460624392 937536701 /nfs/dbraw/zinc/53/67/01/937536701.db2.gz BRHYQWGQVXIIGQ-MRXNPFEDSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC001461015776 937559435 /nfs/dbraw/zinc/55/94/35/937559435.db2.gz MBMATJQMEYPTOF-UHFFFAOYSA-N 2 1 288.435 3.214 20 30 CGEDMP C[N@H+]1C[C@]23C[NH+](CCCC(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001308171388 933065609 /nfs/dbraw/zinc/06/56/09/933065609.db2.gz RWRJZPLWQMMLOY-HDICACEKSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]23C[N@H+](CCCC(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001308171388 933065612 /nfs/dbraw/zinc/06/56/12/933065612.db2.gz RWRJZPLWQMMLOY-HDICACEKSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]23C[N@@H+](CCCC(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001308171388 933065615 /nfs/dbraw/zinc/06/56/15/933065615.db2.gz RWRJZPLWQMMLOY-HDICACEKSA-N 2 1 289.467 3.124 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561052831 938292316 /nfs/dbraw/zinc/29/23/16/938292316.db2.gz MEJFWDXIOJTADE-VVLHAWIVSA-N 2 1 264.457 3.441 20 30 CGEDMP CC[N@@H+](C[C@H](C[NH3+])C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC001577672257 960474628 /nfs/dbraw/zinc/47/46/28/960474628.db2.gz WPRBTPOLINNLKN-PBHICJAKSA-N 2 1 273.424 3.172 20 30 CGEDMP C#CCCCCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574544306 962314441 /nfs/dbraw/zinc/31/44/41/962314441.db2.gz ARWLGDFLOPFJLF-QGZVFWFLSA-N 2 1 262.441 3.036 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000651725465 398276480 /nfs/dbraw/zinc/27/64/80/398276480.db2.gz DYOUCOABLBMDDC-BFZKSOEOSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000651725465 398276482 /nfs/dbraw/zinc/27/64/82/398276482.db2.gz DYOUCOABLBMDDC-BFZKSOEOSA-N 2 1 262.441 3.336 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000591582517 346929842 /nfs/dbraw/zinc/92/98/42/346929842.db2.gz YMBPCRCTDTZLPI-QZTJIDSGSA-N 2 1 283.419 3.043 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091334288 345811021 /nfs/dbraw/zinc/81/10/21/345811021.db2.gz PWBPCMNEZXBJJG-SFHVURJKSA-N 2 1 287.451 3.409 20 30 CGEDMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299479 346240679 /nfs/dbraw/zinc/24/06/79/346240679.db2.gz CQCAEXIWCPXDQH-HNNXBMFYSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299479 346240680 /nfs/dbraw/zinc/24/06/80/346240680.db2.gz CQCAEXIWCPXDQH-HNNXBMFYSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299467 346240712 /nfs/dbraw/zinc/24/07/12/346240712.db2.gz CQCAEXIWCPXDQH-OAHLLOKOSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174299467 346240715 /nfs/dbraw/zinc/24/07/15/346240715.db2.gz CQCAEXIWCPXDQH-OAHLLOKOSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514120 347184605 /nfs/dbraw/zinc/18/46/05/347184605.db2.gz PKQNLZVNQAGDJR-YOEHRIQHSA-N 2 1 285.435 3.060 20 30 CGEDMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595892414 347371075 /nfs/dbraw/zinc/37/10/75/347371075.db2.gz QOCLPRAQNXEVEV-AWEZNQCLSA-N 2 1 299.340 3.040 20 30 CGEDMP CN1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971528 347702471 /nfs/dbraw/zinc/70/24/71/347702471.db2.gz VIRIUEDKIGIRHG-INIZCTEOSA-N 2 1 283.419 3.010 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971528 347702473 /nfs/dbraw/zinc/70/24/73/347702473.db2.gz VIRIUEDKIGIRHG-INIZCTEOSA-N 2 1 283.419 3.010 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971528 347702475 /nfs/dbraw/zinc/70/24/75/347702475.db2.gz VIRIUEDKIGIRHG-INIZCTEOSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602468419 347962900 /nfs/dbraw/zinc/96/29/00/347962900.db2.gz NSIDBUZXWCRQGZ-IEBWSBKVSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@H](CCC#N)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602468419 347962904 /nfs/dbraw/zinc/96/29/04/347962904.db2.gz NSIDBUZXWCRQGZ-IEBWSBKVSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@H](CCC#N)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602468419 347962907 /nfs/dbraw/zinc/96/29/07/347962907.db2.gz NSIDBUZXWCRQGZ-IEBWSBKVSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000602501556 347970455 /nfs/dbraw/zinc/97/04/55/347970455.db2.gz HPMNGVTVCRQGBX-HNNXBMFYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000602513798 347973285 /nfs/dbraw/zinc/97/32/85/347973285.db2.gz IWNGVOSGJHLXIH-HOCLYGCPSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602523291 347976146 /nfs/dbraw/zinc/97/61/46/347976146.db2.gz AGPFUCVDRFEXGA-PKOBYXMFSA-N 2 1 299.462 3.428 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391532 348444497 /nfs/dbraw/zinc/44/44/97/348444497.db2.gz MZYBNJJLHSKAQM-LPHOPBHVSA-N 2 1 297.446 3.257 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177313901 189043939 /nfs/dbraw/zinc/04/39/39/189043939.db2.gz VPXUDMGJQXUNJF-HNNXBMFYSA-N 2 1 288.435 3.386 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869720 371370161 /nfs/dbraw/zinc/37/01/61/371370161.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869720 371370163 /nfs/dbraw/zinc/37/01/63/371370163.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869720 371370166 /nfs/dbraw/zinc/37/01/66/371370166.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442722177 373069423 /nfs/dbraw/zinc/06/94/23/373069423.db2.gz UYIPXNPJSBMNLQ-QAPCUYQASA-N 2 1 285.435 3.309 20 30 CGEDMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1C#N ZINC000443976465 373163868 /nfs/dbraw/zinc/16/38/68/373163868.db2.gz AHQCDFKFHGVKDK-UHFFFAOYSA-N 2 1 285.435 3.219 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099056 373660916 /nfs/dbraw/zinc/66/09/16/373660916.db2.gz SEJWOSHBZXBMRX-GSXDDRDBSA-N 2 1 291.483 3.415 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099056 373660921 /nfs/dbraw/zinc/66/09/21/373660921.db2.gz SEJWOSHBZXBMRX-GSXDDRDBSA-N 2 1 291.483 3.415 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000449094153 373661626 /nfs/dbraw/zinc/66/16/26/373661626.db2.gz QNCGACHJULKSGN-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560564 373831976 /nfs/dbraw/zinc/83/19/76/373831976.db2.gz MSQHHBKLRXSABL-HNSVSWJLSA-N 2 1 250.430 3.336 20 30 CGEDMP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450693133 374172316 /nfs/dbraw/zinc/17/23/16/374172316.db2.gz CXNSHFPSEBJQMQ-AEFFLSMTSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693133 374172318 /nfs/dbraw/zinc/17/23/18/374172318.db2.gz CXNSHFPSEBJQMQ-AEFFLSMTSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469860047 374992120 /nfs/dbraw/zinc/99/21/20/374992120.db2.gz DTQHEMIKBMJANC-TZMCWYRMSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000469860047 374992126 /nfs/dbraw/zinc/99/21/26/374992126.db2.gz DTQHEMIKBMJANC-TZMCWYRMSA-N 2 1 294.826 3.074 20 30 CGEDMP C=C(CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999184 375001412 /nfs/dbraw/zinc/00/14/12/375001412.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999184 375001414 /nfs/dbraw/zinc/00/14/14/375001414.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999184 375001420 /nfs/dbraw/zinc/00/14/20/375001420.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193132319 375830766 /nfs/dbraw/zinc/83/07/66/375830766.db2.gz JHHWPPAHNLNQOT-GOEBONIOSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339436059 376756793 /nfs/dbraw/zinc/75/67/93/376756793.db2.gz CCGYLQQOIUEGCF-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436059 376756798 /nfs/dbraw/zinc/75/67/98/376756798.db2.gz CCGYLQQOIUEGCF-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339436059 376756812 /nfs/dbraw/zinc/75/68/12/376756812.db2.gz CCGYLQQOIUEGCF-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC#N ZINC000248397134 377306066 /nfs/dbraw/zinc/30/60/66/377306066.db2.gz LEJNYRIBSCNSAM-VQFNDLOPSA-N 2 1 285.435 3.036 20 30 CGEDMP Cc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000443984855 249137621 /nfs/dbraw/zinc/13/76/21/249137621.db2.gz UDCNPLMLPHIAOU-HOTGVXAUSA-N 2 1 299.462 3.324 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231107 380135740 /nfs/dbraw/zinc/13/57/40/380135740.db2.gz ZVADPRNJWMUUFL-SJORKVTESA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231107 380135744 /nfs/dbraw/zinc/13/57/44/380135744.db2.gz ZVADPRNJWMUUFL-SJORKVTESA-N 2 1 277.456 3.123 20 30 CGEDMP C=CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738214 380764631 /nfs/dbraw/zinc/76/46/31/380764631.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738214 380764633 /nfs/dbraw/zinc/76/46/33/380764633.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738214 380764635 /nfs/dbraw/zinc/76/46/35/380764635.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358309277 381303030 /nfs/dbraw/zinc/30/30/30/381303030.db2.gz WWZNMSCHBCFOKS-STQMWFEESA-N 2 1 255.365 3.406 20 30 CGEDMP CC[N@@H+](CCC1CC[NH+](CCCC#N)CC1)CC(C)C ZINC000358742736 381326363 /nfs/dbraw/zinc/32/63/63/381326363.db2.gz ZGMYKOWSGSIIDS-UHFFFAOYSA-N 2 1 279.472 3.370 20 30 CGEDMP CCCCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364248952 382267576 /nfs/dbraw/zinc/26/75/76/382267576.db2.gz BAUOZVNRHBOAKJ-GOSISDBHSA-N 2 1 295.515 3.059 20 30 CGEDMP CCCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374418934 392677961 /nfs/dbraw/zinc/67/79/61/392677961.db2.gz FUHIYJNCYBDKSF-BRWVUGGUSA-N 2 1 282.472 3.140 20 30 CGEDMP C=C(C)C[NH+](C)Cc1cncc(C[N@@H+](C)CC(=C)C)c1 ZINC000649416290 393416845 /nfs/dbraw/zinc/41/68/45/393416845.db2.gz DWLUQNIOFGMVHX-UHFFFAOYSA-N 2 1 273.424 3.097 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000449605123 393918273 /nfs/dbraw/zinc/91/82/73/393918273.db2.gz MCFMXMKHHMCURA-CVEARBPZSA-N 2 1 262.441 3.339 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694680 543118945 /nfs/dbraw/zinc/11/89/45/543118945.db2.gz DCHVLGXFJFFXTC-JKSUJKDBSA-N 2 1 285.435 3.201 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694680 543118948 /nfs/dbraw/zinc/11/89/48/543118948.db2.gz DCHVLGXFJFFXTC-JKSUJKDBSA-N 2 1 285.435 3.201 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189083 171054848 /nfs/dbraw/zinc/05/48/48/171054848.db2.gz YYRLRTHXUAXLCP-CQSZACIVSA-N 2 1 271.408 3.082 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661053 419178107 /nfs/dbraw/zinc/17/81/07/419178107.db2.gz BLWUSBHNJAXHTC-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2C)CC1 ZINC000657353356 419257352 /nfs/dbraw/zinc/25/73/52/419257352.db2.gz QQXIFHDSALYPIS-UHFFFAOYSA-N 2 1 288.435 3.134 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662298328 419388527 /nfs/dbraw/zinc/38/85/27/419388527.db2.gz BFIGGHQCVWCLRP-RDJZCZTQSA-N 2 1 288.435 3.026 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663344311 419566405 /nfs/dbraw/zinc/56/64/05/419566405.db2.gz RENBEGQOTPATSM-NXHRZFHOSA-N 2 1 276.468 3.443 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466065 419615067 /nfs/dbraw/zinc/61/50/67/419615067.db2.gz NRBPFYFNQKIVAV-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCC#N ZINC000184740599 262027661 /nfs/dbraw/zinc/02/76/61/262027661.db2.gz LEJNYRIBSCNSAM-BYICEURKSA-N 2 1 285.435 3.036 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221786236 262296670 /nfs/dbraw/zinc/29/66/70/262296670.db2.gz KVTKNKPEVAEISM-UHFFFAOYSA-N 2 1 276.424 3.071 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000221786236 262296668 /nfs/dbraw/zinc/29/66/68/262296668.db2.gz KVTKNKPEVAEISM-UHFFFAOYSA-N 2 1 276.424 3.071 20 30 CGEDMP C=CCOc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414845030 263059575 /nfs/dbraw/zinc/05/95/75/263059575.db2.gz QJGQMTUYMDCSHY-UHFFFAOYSA-N 2 1 274.408 3.003 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000453390524 263260171 /nfs/dbraw/zinc/26/01/71/263260171.db2.gz YEQCONWUOPMUHJ-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977538 290221094 /nfs/dbraw/zinc/22/10/94/290221094.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977538 290221097 /nfs/dbraw/zinc/22/10/97/290221097.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977538 290221100 /nfs/dbraw/zinc/22/11/00/290221100.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178035886 329191725 /nfs/dbraw/zinc/19/17/25/329191725.db2.gz FOIFXXALMFQBNN-NXOAAHMSSA-N 2 1 282.472 3.066 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000185793483 329332069 /nfs/dbraw/zinc/33/20/69/329332069.db2.gz GTHMGETYNDEVSE-TWMKSMIVSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459395463 331279849 /nfs/dbraw/zinc/27/98/49/331279849.db2.gz CERNTKSENUCJED-UHFFFAOYSA-N 2 1 270.420 3.304 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185773505 333148529 /nfs/dbraw/zinc/14/85/29/333148529.db2.gz MQHWQLSMCACWPY-BPUTZDHNSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707612 617689105 /nfs/dbraw/zinc/68/91/05/617689105.db2.gz HMHBGKVMGGKORF-HZPDHXFCSA-N 2 1 285.435 3.016 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CSCCC)CC1 ZINC000892881574 618947967 /nfs/dbraw/zinc/94/79/67/618947967.db2.gz YGSCMIOWZCMLHR-AWEZNQCLSA-N 2 1 270.486 3.148 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000314087618 619214875 /nfs/dbraw/zinc/21/48/75/619214875.db2.gz HFEWPMJTIVMTQN-SFHVURJKSA-N 2 1 295.515 3.107 20 30 CGEDMP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000894404840 619522888 /nfs/dbraw/zinc/52/28/88/619522888.db2.gz AGRLMPAVIMZVDA-INIZCTEOSA-N 2 1 294.801 3.085 20 30 CGEDMP CCC[NH+]1CCC([NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921499793 625412771 /nfs/dbraw/zinc/41/27/71/625412771.db2.gz HGBKWHWNXOERDU-UHFFFAOYSA-N 2 1 285.435 3.139 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897970553 620451320 /nfs/dbraw/zinc/45/13/20/620451320.db2.gz SNDSLGMRCSDMSY-KZNAEPCWSA-N 2 1 296.499 3.314 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902796289 621451459 /nfs/dbraw/zinc/45/14/59/621451459.db2.gz OUUMDGGFFMDSBV-GJZGRUSLSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902796290 621451596 /nfs/dbraw/zinc/45/15/96/621451596.db2.gz OUUMDGGFFMDSBV-HUUCEWRRSA-N 2 1 262.441 3.195 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902896283 621489382 /nfs/dbraw/zinc/48/93/82/621489382.db2.gz JKIRQYWXZUQKGQ-QZTJIDSGSA-N 2 1 292.467 3.132 20 30 CGEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902896286 621489679 /nfs/dbraw/zinc/48/96/79/621489679.db2.gz JKIRQYWXZUQKGQ-ZWKOTPCHSA-N 2 1 292.467 3.132 20 30 CGEDMP C=CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000903098917 621572251 /nfs/dbraw/zinc/57/22/51/621572251.db2.gz VIJYTFBOVTUFFP-DQXYTYHJSA-N 2 1 297.446 3.446 20 30 CGEDMP C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903223345 621634814 /nfs/dbraw/zinc/63/48/14/621634814.db2.gz BPTFMRYBXFBABG-ZNXRZULTSA-N 2 1 274.452 3.480 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903481838 621764847 /nfs/dbraw/zinc/76/48/47/621764847.db2.gz OCTXSVCFKYQOLN-IBGZPJMESA-N 2 1 297.446 3.141 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000921557949 625683621 /nfs/dbraw/zinc/68/36/21/625683621.db2.gz PXZWMQYSVFPUJD-UHFFFAOYSA-N 2 1 297.446 3.139 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000793539720 629479547 /nfs/dbraw/zinc/47/95/47/629479547.db2.gz GVLIPTFZXSCDPA-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809602053 630758492 /nfs/dbraw/zinc/75/84/92/630758492.db2.gz PRJZCJNNMOMJNM-INIZCTEOSA-N 2 1 270.420 3.022 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000815652774 631813254 /nfs/dbraw/zinc/81/32/54/631813254.db2.gz SCBBMHKDXBFQOP-QGZVFWFLSA-N 2 1 294.389 3.207 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000815652774 631813258 /nfs/dbraw/zinc/81/32/58/631813258.db2.gz SCBBMHKDXBFQOP-QGZVFWFLSA-N 2 1 294.389 3.207 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000815652140 631813297 /nfs/dbraw/zinc/81/32/97/631813297.db2.gz QPWWTYPYBRJOMI-RBUKOAKNSA-N 2 1 284.447 3.042 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000815652140 631813298 /nfs/dbraw/zinc/81/32/98/631813298.db2.gz QPWWTYPYBRJOMI-RBUKOAKNSA-N 2 1 284.447 3.042 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977665 632268895 /nfs/dbraw/zinc/26/88/95/632268895.db2.gz NPXQAKQFROLCHU-AGIUHOORSA-N 2 1 282.815 3.204 20 30 CGEDMP C#CCCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876779680 634898352 /nfs/dbraw/zinc/89/83/52/634898352.db2.gz BLGCQGASYGZDSQ-GOSISDBHSA-N 2 1 276.468 3.234 20 30 CGEDMP C#CCCCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000876779680 634898357 /nfs/dbraw/zinc/89/83/57/634898357.db2.gz BLGCQGASYGZDSQ-GOSISDBHSA-N 2 1 276.468 3.234 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000876779680 634898360 /nfs/dbraw/zinc/89/83/60/634898360.db2.gz BLGCQGASYGZDSQ-GOSISDBHSA-N 2 1 276.468 3.234 20 30 CGEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000926927165 638826869 /nfs/dbraw/zinc/82/68/69/638826869.db2.gz OXUGYNLELWCOQW-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929776942 638949918 /nfs/dbraw/zinc/94/99/18/638949918.db2.gz BXKQWITZXZAZFF-UHFFFAOYSA-N 2 1 277.456 3.123 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252134623 806019834 /nfs/dbraw/zinc/01/98/34/806019834.db2.gz SCFWCZLFMWXZBB-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252141958 806025559 /nfs/dbraw/zinc/02/55/59/806025559.db2.gz QTROEQFTWMQMIB-ULQDDVLXSA-N 2 1 284.488 3.028 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254648753 806473167 /nfs/dbraw/zinc/47/31/67/806473167.db2.gz NUHJOZYSYKQSCM-NCXUSEDFSA-N 2 1 297.446 3.451 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001162562726 806619251 /nfs/dbraw/zinc/61/92/51/806619251.db2.gz MMFUNEIZYTZSPB-MDZRGWNJSA-N 2 1 299.462 3.419 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c2ccccc2oc1CC ZINC000328146011 799250615 /nfs/dbraw/zinc/25/06/15/799250615.db2.gz CYYBXYNKTLYLFK-UHFFFAOYSA-N 2 1 284.403 3.040 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c2ccccc2oc1CC ZINC000328146011 799250621 /nfs/dbraw/zinc/25/06/21/799250621.db2.gz CYYBXYNKTLYLFK-UHFFFAOYSA-N 2 1 284.403 3.040 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386566543 799437856 /nfs/dbraw/zinc/43/78/56/799437856.db2.gz WNINDIIZGPTNIV-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCCC1 ZINC000925705244 800632456 /nfs/dbraw/zinc/63/24/56/800632456.db2.gz HKLZTPGSRWGBSI-DLBZAZTESA-N 2 1 289.467 3.218 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628945 806931645 /nfs/dbraw/zinc/93/16/45/806931645.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628945 806931650 /nfs/dbraw/zinc/93/16/50/806931650.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628945 806931654 /nfs/dbraw/zinc/93/16/54/806931654.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628945 806931657 /nfs/dbraw/zinc/93/16/57/806931657.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 2 1 270.420 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246016410 804097111 /nfs/dbraw/zinc/09/71/11/804097111.db2.gz LLMCWTOXZQDFRE-TVFCKZIOSA-N 2 1 296.499 3.015 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246025372 804100331 /nfs/dbraw/zinc/10/03/31/804100331.db2.gz XOOGAMDAXYWTEW-QZTJIDSGSA-N 2 1 296.499 3.325 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246028245 804101793 /nfs/dbraw/zinc/10/17/93/804101793.db2.gz JBLCQGJTTNOCPW-KSZLIROESA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC001246038376 804102342 /nfs/dbraw/zinc/10/23/42/804102342.db2.gz JWSINOXRWGRFEV-MRXNPFEDSA-N 2 1 272.477 3.159 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001246067561 804109130 /nfs/dbraw/zinc/10/91/30/804109130.db2.gz UELZQQGZIHXEGL-DAWZGUTISA-N 2 1 296.499 3.336 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246240082 804231949 /nfs/dbraw/zinc/23/19/49/804231949.db2.gz MDGAGSFNSIHGQH-HZPDHXFCSA-N 2 1 272.477 3.469 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCCC(C)C ZINC001246302767 804268702 /nfs/dbraw/zinc/26/87/02/804268702.db2.gz FGJRTFKBUHNIBK-CVEARBPZSA-N 2 1 298.471 3.018 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246326934 804284924 /nfs/dbraw/zinc/28/49/24/804284924.db2.gz PUBWHJTWRMZPSY-IRXDYDNUSA-N 2 1 270.420 3.119 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246330402 804285756 /nfs/dbraw/zinc/28/57/56/804285756.db2.gz ZAWGPSQITKQKRJ-KKUMJFAQSA-N 2 1 274.408 3.043 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246399663 804320974 /nfs/dbraw/zinc/32/09/74/804320974.db2.gz KVLAJABQNRONHB-YOEHRIQHSA-N 2 1 289.398 3.148 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490638 804357609 /nfs/dbraw/zinc/35/76/09/804357609.db2.gz FLWCOMBVFUMLTE-DLBZAZTESA-N 2 1 283.504 3.057 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617098 804451293 /nfs/dbraw/zinc/45/12/93/804451293.db2.gz XUDDYGPFEIRRTH-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617098 804451294 /nfs/dbraw/zinc/45/12/94/804451294.db2.gz XUDDYGPFEIRRTH-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3CCC4(CCC[NH2+]4)CC3)C[C@H](C1)C2 ZINC001246620425 804453178 /nfs/dbraw/zinc/45/31/78/804453178.db2.gz BMUVVXVGTOEVBP-SJPCQFCGSA-N 2 1 274.452 3.339 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CCCC[NH2+]4)C[C@H](C1)C2 ZINC001246619625 804453444 /nfs/dbraw/zinc/45/34/44/804453444.db2.gz IDSPJROCKOUXMG-WFFDWFOESA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625397 804457575 /nfs/dbraw/zinc/45/75/75/804457575.db2.gz RHPXPGBHWOFYRP-KZNAEPCWSA-N 2 1 296.499 3.436 20 30 CGEDMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768151 804501424 /nfs/dbraw/zinc/50/14/24/804501424.db2.gz FDTCBKKTZXHKKV-QZTJIDSGSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246770105 804502155 /nfs/dbraw/zinc/50/21/55/804502155.db2.gz NOVBKFUFAQLAHM-CQSZACIVSA-N 2 1 270.486 3.126 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC001246791861 804515813 /nfs/dbraw/zinc/51/58/13/804515813.db2.gz JKGHJOWGZSWRJI-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246799407 804521914 /nfs/dbraw/zinc/52/19/14/804521914.db2.gz ZDCMARMIRKNDGL-RDJZCZTQSA-N 2 1 258.409 3.205 20 30 CGEDMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(C#N)c1 ZINC001140806162 804522787 /nfs/dbraw/zinc/52/27/87/804522787.db2.gz XEZWHMZVHOXNQY-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cccc(C#N)c1 ZINC001140806162 804522791 /nfs/dbraw/zinc/52/27/91/804522791.db2.gz XEZWHMZVHOXNQY-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959649 807016388 /nfs/dbraw/zinc/01/63/88/807016388.db2.gz OGULUMQVSSFUNK-HJOIGYKYSA-N 2 1 285.435 3.166 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006847 804636899 /nfs/dbraw/zinc/63/68/99/804636899.db2.gz VXVCGIYMZNBLSG-INIZCTEOSA-N 2 1 297.446 3.206 20 30 CGEDMP C[NH+](C)CCC[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015263 807028036 /nfs/dbraw/zinc/02/80/36/807028036.db2.gz HLLGTWUNUHGNGE-UHFFFAOYSA-N 2 1 299.462 3.468 20 30 CGEDMP C=C(C)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994681 807293896 /nfs/dbraw/zinc/29/38/96/807293896.db2.gz KFLQABSUPCIBEL-SJPCQFCGSA-N 2 1 262.441 3.290 20 30 CGEDMP C=C(C)C[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994681 807293901 /nfs/dbraw/zinc/29/39/01/807293901.db2.gz KFLQABSUPCIBEL-SJPCQFCGSA-N 2 1 262.441 3.290 20 30 CGEDMP C=C(C)C[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994681 807293904 /nfs/dbraw/zinc/29/39/04/807293904.db2.gz KFLQABSUPCIBEL-SJPCQFCGSA-N 2 1 262.441 3.290 20 30 CGEDMP CCCCCCCCC[C@H](C)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001258231978 807380308 /nfs/dbraw/zinc/38/03/08/807380308.db2.gz WMGKQYBOCABGSJ-JKSUJKDBSA-N 2 1 295.471 3.447 20 30 CGEDMP C[NH+](C)C1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001168315709 807380619 /nfs/dbraw/zinc/38/06/19/807380619.db2.gz LEJTZDVUHJTBRO-UHFFFAOYSA-N 2 1 285.435 3.275 20 30 CGEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979683 808163230 /nfs/dbraw/zinc/16/32/30/808163230.db2.gz QBSRSAKZLBHFCM-RDJZCZTQSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979683 808163237 /nfs/dbraw/zinc/16/32/37/808163237.db2.gz QBSRSAKZLBHFCM-RDJZCZTQSA-N 2 1 270.420 3.041 20 30 CGEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172479684 808342873 /nfs/dbraw/zinc/34/28/73/808342873.db2.gz JKCSQYDMWYAGOR-SJLPKXTDSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001172487153 808348139 /nfs/dbraw/zinc/34/81/39/808348139.db2.gz FEYBKCLOXWVIDQ-RDJZCZTQSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001172487153 808348147 /nfs/dbraw/zinc/34/81/47/808348147.db2.gz FEYBKCLOXWVIDQ-RDJZCZTQSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172506802 808362371 /nfs/dbraw/zinc/36/23/71/808362371.db2.gz JSINNCNVVGTGTQ-IRXDYDNUSA-N 2 1 277.456 3.409 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC001177683467 809815021 /nfs/dbraw/zinc/81/50/21/809815021.db2.gz DXBGMROPJGVSON-UHFFFAOYSA-N 2 1 297.446 3.227 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001203904755 812488529 /nfs/dbraw/zinc/48/85/29/812488529.db2.gz FZPPFHPUCMEVLI-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203904755 812488532 /nfs/dbraw/zinc/48/85/32/812488532.db2.gz FZPPFHPUCMEVLI-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203904755 812488536 /nfs/dbraw/zinc/48/85/36/812488536.db2.gz FZPPFHPUCMEVLI-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2C#N)CC1 ZINC001204369745 812623400 /nfs/dbraw/zinc/62/34/00/812623400.db2.gz BNMZMGDFLZPMDL-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205616948 813027112 /nfs/dbraw/zinc/02/71/12/813027112.db2.gz HTDHPSUGOOFGMG-CVEARBPZSA-N 2 1 288.435 3.058 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269214 813264781 /nfs/dbraw/zinc/26/47/81/813264781.db2.gz GZPJSPIEOQBSKE-SCOAYWHSSA-N 2 1 252.446 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269214 813264785 /nfs/dbraw/zinc/26/47/85/813264785.db2.gz GZPJSPIEOQBSKE-SCOAYWHSSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206304937 813281784 /nfs/dbraw/zinc/28/17/84/813281784.db2.gz RUVWNYQAZPIZRJ-SFHVURJKSA-N 2 1 288.435 3.072 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001206606292 813373194 /nfs/dbraw/zinc/37/31/94/813373194.db2.gz JJCIKMDNQDDUAR-IAGOWNOFSA-N 2 1 262.441 3.350 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618076 813776653 /nfs/dbraw/zinc/77/66/53/813776653.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618076 813776658 /nfs/dbraw/zinc/77/66/58/813776658.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618076 813776663 /nfs/dbraw/zinc/77/66/63/813776663.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618076 813776668 /nfs/dbraw/zinc/77/66/68/813776668.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947842 813907625 /nfs/dbraw/zinc/90/76/25/813907625.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947842 813907633 /nfs/dbraw/zinc/90/76/33/813907633.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947842 813907641 /nfs/dbraw/zinc/90/76/41/813907641.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209442007 814040770 /nfs/dbraw/zinc/04/07/70/814040770.db2.gz MXVPIHIZUHBIAU-IAGOWNOFSA-N 2 1 264.457 3.397 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025504 818982212 /nfs/dbraw/zinc/98/22/12/818982212.db2.gz DCJNCROSTSYTGL-OFTJQPPSSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025504 818982218 /nfs/dbraw/zinc/98/22/18/818982218.db2.gz DCJNCROSTSYTGL-OFTJQPPSSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042257 818988241 /nfs/dbraw/zinc/98/82/41/818988241.db2.gz XASIJKTVUKZURB-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP N#Cc1ccc(CCC[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235175516 819024167 /nfs/dbraw/zinc/02/41/67/819024167.db2.gz WXQBZEDNRZHLME-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1ccc(CCC[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235175516 819024171 /nfs/dbraw/zinc/02/41/71/819024171.db2.gz WXQBZEDNRZHLME-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235399179 819084382 /nfs/dbraw/zinc/08/43/82/819084382.db2.gz ZINQPDCIIOCGJP-LSDHHAIUSA-N 2 1 270.436 3.356 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402862 819085642 /nfs/dbraw/zinc/08/56/42/819085642.db2.gz KBIWSMOLWKREHB-HOTGVXAUSA-N 2 1 268.420 3.146 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963097 819250836 /nfs/dbraw/zinc/25/08/36/819250836.db2.gz UFCPOCDUIAGEPV-ZBFHGGJFSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963097 819250839 /nfs/dbraw/zinc/25/08/39/819250839.db2.gz UFCPOCDUIAGEPV-ZBFHGGJFSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314673 819421026 /nfs/dbraw/zinc/42/10/26/819421026.db2.gz RTGCSIKWLMJZII-IYBDPMFKSA-N 2 1 250.430 3.054 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC001236424670 819471677 /nfs/dbraw/zinc/47/16/77/819471677.db2.gz VISCOYCCFQTHCH-QGZVFWFLSA-N 2 1 284.488 3.437 20 30 CGEDMP CCCCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645098 932029862 /nfs/dbraw/zinc/02/98/62/932029862.db2.gz AKEQXJZQSOAZIB-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193645098 932029865 /nfs/dbraw/zinc/02/98/65/932029865.db2.gz AKEQXJZQSOAZIB-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193645098 932029874 /nfs/dbraw/zinc/02/98/74/932029874.db2.gz AKEQXJZQSOAZIB-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2)CC1 ZINC001461162126 937566714 /nfs/dbraw/zinc/56/67/14/937566714.db2.gz YTJKGXNWETVULE-UHFFFAOYSA-N 2 1 272.436 3.204 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925411 933958229 /nfs/dbraw/zinc/95/82/29/933958229.db2.gz MJVWCPKIUIRUPD-QFBILLFUSA-N 2 1 297.446 3.257 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001560289788 938251260 /nfs/dbraw/zinc/25/12/60/938251260.db2.gz RAWDSBHIUAGTCV-TWMKSMIVSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC001560289788 938251262 /nfs/dbraw/zinc/25/12/62/938251262.db2.gz RAWDSBHIUAGTCV-TWMKSMIVSA-N 2 1 264.457 3.441 20 30 CGEDMP C#CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC001574674138 962314003 /nfs/dbraw/zinc/31/40/03/962314003.db2.gz VUYXRHPTKNZTEE-UHFFFAOYSA-N 2 1 296.439 3.029 20 30 CGEDMP C#CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC001574674138 962314025 /nfs/dbraw/zinc/31/40/25/962314025.db2.gz VUYXRHPTKNZTEE-UHFFFAOYSA-N 2 1 296.439 3.029 20 30 CGEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570851 346929168 /nfs/dbraw/zinc/92/91/68/346929168.db2.gz WKFHAGMKZDGOLG-CZUORRHYSA-N 2 1 289.398 3.098 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000091512964 345817893 /nfs/dbraw/zinc/81/78/93/345817893.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000091512964 345817896 /nfs/dbraw/zinc/81/78/96/345817896.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000091512964 345817899 /nfs/dbraw/zinc/81/78/99/345817899.db2.gz XCYCIUKDRGLSTL-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090399093 345787141 /nfs/dbraw/zinc/78/71/41/345787141.db2.gz XPCWRCXANKDXDC-PKOBYXMFSA-N 2 1 284.447 3.433 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090399093 345787147 /nfs/dbraw/zinc/78/71/47/345787147.db2.gz XPCWRCXANKDXDC-PKOBYXMFSA-N 2 1 284.447 3.433 20 30 CGEDMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000093769959 345886659 /nfs/dbraw/zinc/88/66/59/345886659.db2.gz HVQBCTWTPXPIRS-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093769959 345886662 /nfs/dbraw/zinc/88/66/62/345886662.db2.gz HVQBCTWTPXPIRS-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093769959 345886666 /nfs/dbraw/zinc/88/66/66/345886666.db2.gz HVQBCTWTPXPIRS-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093769959 345886670 /nfs/dbraw/zinc/88/66/70/345886670.db2.gz HVQBCTWTPXPIRS-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C[C@@]1(C#N)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595840857 347365686 /nfs/dbraw/zinc/36/56/86/347365686.db2.gz GMHUXNZUVWMOBR-IBGZPJMESA-N 2 1 297.446 3.408 20 30 CGEDMP C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595840857 347365690 /nfs/dbraw/zinc/36/56/90/347365690.db2.gz GMHUXNZUVWMOBR-IBGZPJMESA-N 2 1 297.446 3.408 20 30 CGEDMP CC[N@@H+](Cc1cnc(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984953 347524635 /nfs/dbraw/zinc/52/46/35/347524635.db2.gz YPNOEDUBAMDPQP-ZDUSSCGKSA-N 2 1 282.391 3.183 20 30 CGEDMP CCN(Cc1cnc(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984953 347524637 /nfs/dbraw/zinc/52/46/37/347524637.db2.gz YPNOEDUBAMDPQP-ZDUSSCGKSA-N 2 1 282.391 3.183 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000599661339 347762375 /nfs/dbraw/zinc/76/23/75/347762375.db2.gz UNQONDFVYBMOEN-QZTJIDSGSA-N 2 1 285.435 3.262 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736854 /nfs/dbraw/zinc/73/68/54/347736854.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736856 /nfs/dbraw/zinc/73/68/56/347736856.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736859 /nfs/dbraw/zinc/73/68/59/347736859.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601289549 347889392 /nfs/dbraw/zinc/88/93/92/347889392.db2.gz OOLYVHQEUKAQSC-BVBHFADKSA-N 2 1 297.446 3.036 20 30 CGEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451654 347959940 /nfs/dbraw/zinc/95/99/40/347959940.db2.gz RBKRFQKDYDDFSD-ZWKOTPCHSA-N 2 1 291.483 3.370 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602513823 347973551 /nfs/dbraw/zinc/97/35/51/347973551.db2.gz JFYIEMJNIAVKFX-YESZJQIVSA-N 2 1 279.472 3.274 20 30 CGEDMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602637151 347998564 /nfs/dbraw/zinc/99/85/64/347998564.db2.gz KXPCDANZCDVGIS-CQSZACIVSA-N 2 1 287.407 3.173 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602727642 348019275 /nfs/dbraw/zinc/01/92/75/348019275.db2.gz FWDBRJKPYPSNLX-AOIWGVFYSA-N 2 1 299.462 3.284 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000602949665 348047170 /nfs/dbraw/zinc/04/71/70/348047170.db2.gz KEHJTQNKKZGICO-OAHLLOKOSA-N 2 1 263.429 3.019 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157266672 188307041 /nfs/dbraw/zinc/30/70/41/188307041.db2.gz WYBNBRVZENEZFD-SFHVURJKSA-N 2 1 283.419 3.009 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157266672 188307043 /nfs/dbraw/zinc/30/70/43/188307043.db2.gz WYBNBRVZENEZFD-SFHVURJKSA-N 2 1 283.419 3.009 20 30 CGEDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196841 235361071 /nfs/dbraw/zinc/36/10/71/235361071.db2.gz VKYQMXJSYRCGBE-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)C2CCN(CC)CC2)c1 ZINC000125226196 370932451 /nfs/dbraw/zinc/93/24/51/370932451.db2.gz IERSMZGDKCBZIT-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125226196 370932458 /nfs/dbraw/zinc/93/24/58/370932458.db2.gz IERSMZGDKCBZIT-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1 ZINC000125226196 370932461 /nfs/dbraw/zinc/93/24/61/370932461.db2.gz IERSMZGDKCBZIT-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000432819346 372574042 /nfs/dbraw/zinc/57/40/42/372574042.db2.gz WXQKRNMGPRWIPP-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000432819346 372574045 /nfs/dbraw/zinc/57/40/45/372574045.db2.gz WXQKRNMGPRWIPP-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353412324 220069708 /nfs/dbraw/zinc/06/97/08/220069708.db2.gz LSWODKLTWNGFRC-HNAYVOBHSA-N 2 1 297.446 3.400 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442793829 373084565 /nfs/dbraw/zinc/08/45/65/373084565.db2.gz SDYPMTPWBAWCJC-BZUAXINKSA-N 2 1 277.456 3.169 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442793829 373084572 /nfs/dbraw/zinc/08/45/72/373084572.db2.gz SDYPMTPWBAWCJC-BZUAXINKSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442794395 373086357 /nfs/dbraw/zinc/08/63/57/373086357.db2.gz SZFXMTMPEZNQFX-GPMSIDNRSA-N 2 1 297.446 3.494 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469860044 374992351 /nfs/dbraw/zinc/99/23/51/374992351.db2.gz DTQHEMIKBMJANC-GXTWGEPZSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469860044 374992361 /nfs/dbraw/zinc/99/23/61/374992361.db2.gz DTQHEMIKBMJANC-GXTWGEPZSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836042 375007827 /nfs/dbraw/zinc/00/78/27/375007827.db2.gz HPDJDFKFBAOEFD-QZTJIDSGSA-N 2 1 272.436 3.235 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194299603 375980590 /nfs/dbraw/zinc/98/05/90/375980590.db2.gz IPBUMWOJSGZSCR-UHFFFAOYSA-N 2 1 288.435 3.134 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378012974 /nfs/dbraw/zinc/01/29/74/378012974.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378012979 /nfs/dbraw/zinc/01/29/79/378012979.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378012984 /nfs/dbraw/zinc/01/29/84/378012984.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 2 1 285.435 3.057 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000343415454 377973909 /nfs/dbraw/zinc/97/39/09/377973909.db2.gz AFBVOVNSPUCZDV-MRXNPFEDSA-N 2 1 279.472 3.418 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000271857187 378510456 /nfs/dbraw/zinc/51/04/56/378510456.db2.gz JQVLETGCPFNXBZ-AWEZNQCLSA-N 2 1 283.419 3.226 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271921855 378517503 /nfs/dbraw/zinc/51/75/03/378517503.db2.gz FHFDAWQJOORODQ-CYBMUJFWSA-N 2 1 289.398 3.221 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348223540 378847396 /nfs/dbraw/zinc/84/73/96/378847396.db2.gz TXMQGWXTLQRRHY-WBVHZDCISA-N 2 1 285.435 3.036 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223540 378847399 /nfs/dbraw/zinc/84/73/99/378847399.db2.gz TXMQGWXTLQRRHY-WBVHZDCISA-N 2 1 285.435 3.036 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274880002 378913267 /nfs/dbraw/zinc/91/32/67/378913267.db2.gz ZNMLZBMUCSYLGL-RDJZCZTQSA-N 2 1 258.409 3.063 20 30 CGEDMP C=C(C)CC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000351731692 379740834 /nfs/dbraw/zinc/74/08/34/379740834.db2.gz OGKFYJIOPFZQGP-UHFFFAOYSA-N 2 1 282.472 3.023 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353424353 380206157 /nfs/dbraw/zinc/20/61/57/380206157.db2.gz GSGZHDAXIGZVDC-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000414125764 380192503 /nfs/dbraw/zinc/19/25/03/380192503.db2.gz QKXAATINHOSRQR-CVEARBPZSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290579173 392451208 /nfs/dbraw/zinc/45/12/08/392451208.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290579173 392451213 /nfs/dbraw/zinc/45/12/13/392451213.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290579173 392451218 /nfs/dbraw/zinc/45/12/18/392451218.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290579173 392451222 /nfs/dbraw/zinc/45/12/22/392451222.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000186241436 392780775 /nfs/dbraw/zinc/78/07/75/392780775.db2.gz WPMHETLZAKRCAJ-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000186241436 392780777 /nfs/dbraw/zinc/78/07/77/392780777.db2.gz WPMHETLZAKRCAJ-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1C#N ZINC000488442961 393514819 /nfs/dbraw/zinc/51/48/19/393514819.db2.gz VLCCRWNMMPZCJK-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C#N ZINC000488442961 393514823 /nfs/dbraw/zinc/51/48/23/393514823.db2.gz VLCCRWNMMPZCJK-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1C#N ZINC000488442961 393514829 /nfs/dbraw/zinc/51/48/29/393514829.db2.gz VLCCRWNMMPZCJK-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1C#N ZINC000488442961 393514833 /nfs/dbraw/zinc/51/48/33/393514833.db2.gz VLCCRWNMMPZCJK-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1C#N ZINC000488442961 393514839 /nfs/dbraw/zinc/51/48/39/393514839.db2.gz VLCCRWNMMPZCJK-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661380439 419255241 /nfs/dbraw/zinc/25/52/41/419255241.db2.gz HCXZUBQTUTYXOT-INIZCTEOSA-N 2 1 261.413 3.260 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661380439 419255243 /nfs/dbraw/zinc/25/52/43/419255243.db2.gz HCXZUBQTUTYXOT-INIZCTEOSA-N 2 1 261.413 3.260 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000657844153 419384124 /nfs/dbraw/zinc/38/41/24/419384124.db2.gz IMNNKVREAJPAOJ-CVEARBPZSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000658035566 419515898 /nfs/dbraw/zinc/51/58/98/419515898.db2.gz OJDIAFFDICHMJG-GVDBMIGSSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000658239464 419697587 /nfs/dbraw/zinc/69/75/87/419697587.db2.gz VDJHBLTXAHLIBY-OAGGEKHMSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000120352260 263284660 /nfs/dbraw/zinc/28/46/60/263284660.db2.gz CKHDBZRDSMSMFF-QGZVFWFLSA-N 2 1 296.418 3.410 20 30 CGEDMP C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000341888745 263364338 /nfs/dbraw/zinc/36/43/38/263364338.db2.gz QLUYGEIBSAJTKA-ZBFHGGJFSA-N 2 1 299.418 3.016 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423303438 276243040 /nfs/dbraw/zinc/24/30/40/276243040.db2.gz XBWRFNJHFBLWSF-SJLPKXTDSA-N 2 1 285.435 3.433 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000562041403 327441955 /nfs/dbraw/zinc/44/19/55/327441955.db2.gz LTZPXKHEIRVMNF-HOTGVXAUSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000439085828 330733597 /nfs/dbraw/zinc/73/35/97/330733597.db2.gz LCVPYONGNFBWMJ-INIZCTEOSA-N 2 1 252.446 3.440 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1CC1 ZINC000439085829 330733607 /nfs/dbraw/zinc/73/36/07/330733607.db2.gz LCVPYONGNFBWMJ-MRXNPFEDSA-N 2 1 252.446 3.440 20 30 CGEDMP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000459736981 331296970 /nfs/dbraw/zinc/29/69/70/331296970.db2.gz VJSXXIXFKAKGHR-UHFFFAOYSA-N 2 1 285.435 3.180 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000127783907 333635856 /nfs/dbraw/zinc/63/58/56/333635856.db2.gz YIRSSFIAZGMGHQ-GJZGRUSLSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248811196 334317937 /nfs/dbraw/zinc/31/79/37/334317937.db2.gz KNLOEBAGJGQFSA-MHORFTMASA-N 2 1 291.483 3.416 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658336 572330226 /nfs/dbraw/zinc/33/02/26/572330226.db2.gz WBLVADDPHIJDNJ-RDJZCZTQSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658336 572330229 /nfs/dbraw/zinc/33/02/29/572330229.db2.gz WBLVADDPHIJDNJ-RDJZCZTQSA-N 2 1 258.409 3.205 20 30 CGEDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735579 621419313 /nfs/dbraw/zinc/41/93/13/621419313.db2.gz GGVHYYDVSBMTHZ-KRWDZBQOSA-N 2 1 273.424 3.329 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902789477 621446551 /nfs/dbraw/zinc/44/65/51/621446551.db2.gz HBTWAASVPANMMW-KBXCAEBGSA-N 2 1 296.418 3.440 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739962 621800994 /nfs/dbraw/zinc/80/09/94/621800994.db2.gz BRFVZFVIHPUAMA-SJORKVTESA-N 2 1 289.467 3.315 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903784017 621807601 /nfs/dbraw/zinc/80/76/01/621807601.db2.gz JGJSLCJPDOZTKT-SFHVURJKSA-N 2 1 289.467 3.316 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cccc(C#N)c1 ZINC000904386283 621917133 /nfs/dbraw/zinc/91/71/33/621917133.db2.gz VMCRLSOLSJNVFN-CZUORRHYSA-N 2 1 273.424 3.362 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000921688854 625839566 /nfs/dbraw/zinc/83/95/66/625839566.db2.gz IODBMOLOGRNJAE-QGZVFWFLSA-N 2 1 299.462 3.385 20 30 CGEDMP C#CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000766905243 627369157 /nfs/dbraw/zinc/36/91/57/627369157.db2.gz ILHZJDRKGCPYBT-QGZVFWFLSA-N 2 1 276.468 3.376 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000793546186 629480996 /nfs/dbraw/zinc/48/09/96/629480996.db2.gz LBXOOYWFCGHAAW-OAHLLOKOSA-N 2 1 250.430 3.363 20 30 CGEDMP C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799724528 630225327 /nfs/dbraw/zinc/22/53/27/630225327.db2.gz FAGDRNRNKGMAEV-CEXWTWQISA-N 2 1 297.446 3.180 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000815652490 631813613 /nfs/dbraw/zinc/81/36/13/631813613.db2.gz FKIQZZLBWCDPCV-RBUKOAKNSA-N 2 1 284.447 3.176 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000815652490 631813614 /nfs/dbraw/zinc/81/36/14/631813614.db2.gz FKIQZZLBWCDPCV-RBUKOAKNSA-N 2 1 284.447 3.176 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000815652896 631813782 /nfs/dbraw/zinc/81/37/82/631813782.db2.gz ZKBPMXJEVRDHSH-OAHLLOKOSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000815652896 631813785 /nfs/dbraw/zinc/81/37/85/631813785.db2.gz ZKBPMXJEVRDHSH-OAHLLOKOSA-N 2 1 270.420 3.170 20 30 CGEDMP CC(C)C[N@@H+](CCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879704895 635839270 /nfs/dbraw/zinc/83/92/70/635839270.db2.gz XEEWBYIZALZPKC-UHFFFAOYSA-N 2 1 279.472 3.226 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158000 634069484 /nfs/dbraw/zinc/06/94/84/634069484.db2.gz RGDUDPCJRFYDJO-ZBFHGGJFSA-N 2 1 250.430 3.182 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834607560 634196979 /nfs/dbraw/zinc/19/69/79/634196979.db2.gz ZBWXMRDGOXOVOZ-VAMGGRTRSA-N 2 1 296.458 3.433 20 30 CGEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877767496 635193035 /nfs/dbraw/zinc/19/30/35/635193035.db2.gz KWAMEFMPWBDXHA-UHFFFAOYSA-N 2 1 299.462 3.358 20 30 CGEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)CC2CC2)c1)CC1CC1 ZINC000877972022 635297487 /nfs/dbraw/zinc/29/74/87/635297487.db2.gz CFTWCRYGKGNGBX-UHFFFAOYSA-N 2 1 297.446 3.242 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886522178 637550564 /nfs/dbraw/zinc/55/05/64/637550564.db2.gz DTESFHUEEGZJAX-OTWHNJEPSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000926927166 638826812 /nfs/dbraw/zinc/82/68/12/638826812.db2.gz OXUGYNLELWCOQW-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C#CCCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930171315 638978957 /nfs/dbraw/zinc/97/89/57/638978957.db2.gz NVQGIEAGDZSCNR-UHFFFAOYSA-N 2 1 262.441 3.130 20 30 CGEDMP C#CCCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930171315 638978958 /nfs/dbraw/zinc/97/89/58/638978958.db2.gz NVQGIEAGDZSCNR-UHFFFAOYSA-N 2 1 262.441 3.130 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001252134622 806021049 /nfs/dbraw/zinc/02/10/49/806021049.db2.gz SCFWCZLFMWXZBB-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668800 806479866 /nfs/dbraw/zinc/47/98/66/806479866.db2.gz LFNKVWYLIJXAML-HKUYNNGSSA-N 2 1 297.446 3.275 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668800 806479870 /nfs/dbraw/zinc/47/98/70/806479870.db2.gz LFNKVWYLIJXAML-HKUYNNGSSA-N 2 1 297.446 3.275 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381519 806629794 /nfs/dbraw/zinc/62/97/94/806629794.db2.gz PBXBIMYBJGJNKW-GOSISDBHSA-N 2 1 270.420 3.044 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386566537 799437702 /nfs/dbraw/zinc/43/77/02/799437702.db2.gz WNINDIIZGPTNIV-CVEARBPZSA-N 2 1 252.446 3.421 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722107886 800309069 /nfs/dbraw/zinc/30/90/69/800309069.db2.gz KGTUNOPQWAGGAK-UHFFFAOYSA-N 2 1 299.245 3.081 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000722107886 800309076 /nfs/dbraw/zinc/30/90/76/800309076.db2.gz KGTUNOPQWAGGAK-UHFFFAOYSA-N 2 1 299.245 3.081 20 30 CGEDMP CCCCCCCCN(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256616118 806926005 /nfs/dbraw/zinc/92/60/05/806926005.db2.gz IMHCITXUQTXKMT-JWTNVVGKSA-N 2 1 295.515 3.233 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](CC)CCn1ccnc1 ZINC001138665614 803997801 /nfs/dbraw/zinc/99/78/01/803997801.db2.gz AJUXKDMJHWHUOE-UHFFFAOYSA-N 2 1 299.418 3.360 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246025272 804100112 /nfs/dbraw/zinc/10/01/12/804100112.db2.gz HCHWBPLMGSGMEM-KSZLIROESA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001246034152 804102007 /nfs/dbraw/zinc/10/20/07/804102007.db2.gz MWRANMCVZFUGGL-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246034497 804102865 /nfs/dbraw/zinc/10/28/65/804102865.db2.gz XCSKOWLHGFVIAP-ZWKOTPCHSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001246060807 804104548 /nfs/dbraw/zinc/10/45/48/804104548.db2.gz DTXRYWRYGYJWRI-MRXNPFEDSA-N 2 1 284.488 3.172 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001246069319 804108564 /nfs/dbraw/zinc/10/85/64/804108564.db2.gz XGHSFDXRXJXBTR-MSOLQXFVSA-N 2 1 296.499 3.195 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]C[C@]1(F)CCC[NH2+]C1 ZINC001246174345 804189456 /nfs/dbraw/zinc/18/94/56/804189456.db2.gz KAVRUHMQYKSFIW-GJZGRUSLSA-N 2 1 258.425 3.417 20 30 CGEDMP C[C@@]1([NH3+])CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528983 804381294 /nfs/dbraw/zinc/38/12/94/804381294.db2.gz IUNWBQLTNQUIMS-DAWZGUTISA-N 2 1 283.419 3.008 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596074 804436721 /nfs/dbraw/zinc/43/67/21/804436721.db2.gz YTVBSSLKCZWWPZ-RRFJBIMHSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246596074 804436725 /nfs/dbraw/zinc/43/67/25/804436725.db2.gz YTVBSSLKCZWWPZ-RRFJBIMHSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246617302 804451730 /nfs/dbraw/zinc/45/17/30/804451730.db2.gz IQMMLIASLUAXHD-SJORKVTESA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246617302 804451734 /nfs/dbraw/zinc/45/17/34/804451734.db2.gz IQMMLIASLUAXHD-SJORKVTESA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246646883 804473651 /nfs/dbraw/zinc/47/36/51/804473651.db2.gz ORYRPTWLNXMJTO-KURKYZTESA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656145 804480825 /nfs/dbraw/zinc/48/08/25/804480825.db2.gz IYKJUMQSSRIWAI-WCVJEAGWSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001246687849 804498126 /nfs/dbraw/zinc/49/81/26/804498126.db2.gz XJVKBYMRPBIWIA-BSDSXHPESA-N 2 1 294.483 3.188 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246847862 804557616 /nfs/dbraw/zinc/55/76/16/804557616.db2.gz SXEHVDLDTHNJLH-JYJNAYRXSA-N 2 1 252.446 3.277 20 30 CGEDMP C=C(C)C[N@@H+](CC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246856088 804564153 /nfs/dbraw/zinc/56/41/53/804564153.db2.gz YWRPJYCYPCFYMI-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246856088 804564159 /nfs/dbraw/zinc/56/41/59/804564159.db2.gz YWRPJYCYPCFYMI-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001248751800 804984695 /nfs/dbraw/zinc/98/46/95/804984695.db2.gz KUORFPKWOUIBKE-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994435 807292558 /nfs/dbraw/zinc/29/25/58/807292558.db2.gz DAUKKYDYVKHXAU-NAZJXLNTSA-N 2 1 287.451 3.017 20 30 CGEDMP N#C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167994435 807292548 /nfs/dbraw/zinc/29/25/48/807292548.db2.gz DAUKKYDYVKHXAU-NAZJXLNTSA-N 2 1 287.451 3.017 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994435 807292551 /nfs/dbraw/zinc/29/25/51/807292551.db2.gz DAUKKYDYVKHXAU-NAZJXLNTSA-N 2 1 287.451 3.017 20 30 CGEDMP C=CCc1cc(C)c[nH+]c1NCC(C)(C)C[NH+](C)C ZINC001168762938 807506271 /nfs/dbraw/zinc/50/62/71/807506271.db2.gz BINHUPLRPZCBMN-UHFFFAOYSA-N 2 1 261.413 3.118 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258722353 807569788 /nfs/dbraw/zinc/56/97/88/807569788.db2.gz GVJMJFQOSZBHHS-AWEZNQCLSA-N 2 1 276.399 3.430 20 30 CGEDMP CC(C)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199414 808007517 /nfs/dbraw/zinc/00/75/17/808007517.db2.gz ZSLGRRHFZKWDPE-ATZDWAIDSA-N 2 1 299.462 3.470 20 30 CGEDMP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982348 808165133 /nfs/dbraw/zinc/16/51/33/808165133.db2.gz HOCGTDQNWHPCPP-INIZCTEOSA-N 2 1 258.409 3.205 20 30 CGEDMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308573 808223014 /nfs/dbraw/zinc/22/30/14/808223014.db2.gz YQQMUMKXGHMQIC-INIZCTEOSA-N 2 1 299.462 3.295 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001172359485 808253923 /nfs/dbraw/zinc/25/39/23/808253923.db2.gz WWIYTXXDDRULFC-MRXNPFEDSA-N 2 1 272.477 3.029 20 30 CGEDMP C[C@H](CCCC#N)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172479682 808343715 /nfs/dbraw/zinc/34/37/15/808343715.db2.gz JKCSQYDMWYAGOR-AEFFLSMTSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487232 808347888 /nfs/dbraw/zinc/34/78/88/808347888.db2.gz GMNZEXDXKZPSSK-HOTGVXAUSA-N 2 1 273.424 3.166 20 30 CGEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001172497370 808354184 /nfs/dbraw/zinc/35/41/84/808354184.db2.gz BJJJRMRHNGYKRG-IKGGRYGDSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172497370 808354192 /nfs/dbraw/zinc/35/41/92/808354192.db2.gz BJJJRMRHNGYKRG-IKGGRYGDSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001172497370 808354200 /nfs/dbraw/zinc/35/42/00/808354200.db2.gz BJJJRMRHNGYKRG-IKGGRYGDSA-N 2 1 277.456 3.408 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172509243 808367057 /nfs/dbraw/zinc/36/70/57/808367057.db2.gz UQEUKLUXFVJGHY-KRWDZBQOSA-N 2 1 286.504 3.419 20 30 CGEDMP C#CCCC[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001275975957 808980940 /nfs/dbraw/zinc/98/09/40/808980940.db2.gz TUXMKRXOUVOAEI-UHFFFAOYSA-N 2 1 299.462 3.106 20 30 CGEDMP C#CCCCCCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177008618 809774530 /nfs/dbraw/zinc/77/45/30/809774530.db2.gz MKKHVGNQOPLOQU-KDURUIRLSA-N 2 1 288.479 3.378 20 30 CGEDMP C#CCCCCCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008618 809774534 /nfs/dbraw/zinc/77/45/34/809774534.db2.gz MKKHVGNQOPLOQU-KDURUIRLSA-N 2 1 288.479 3.378 20 30 CGEDMP C#CCCCCCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177008618 809774536 /nfs/dbraw/zinc/77/45/36/809774536.db2.gz MKKHVGNQOPLOQU-KDURUIRLSA-N 2 1 288.479 3.378 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC001205001405 812818726 /nfs/dbraw/zinc/81/87/26/812818726.db2.gz RMGAVGLXECZRIH-IAGOWNOFSA-N 2 1 262.441 3.220 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205603368 813020482 /nfs/dbraw/zinc/02/04/82/813020482.db2.gz ORHSMGBVXBABIQ-RDJZCZTQSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638700 813038487 /nfs/dbraw/zinc/03/84/87/813038487.db2.gz RBKZPJPUOJTLFO-DOTOQJQBSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1 ZINC001205638703 813039132 /nfs/dbraw/zinc/03/91/32/813039132.db2.gz RBKZPJPUOJTLFO-WBVHZDCISA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001206311143 813284165 /nfs/dbraw/zinc/28/41/65/813284165.db2.gz JWLMXPWIDXSIMK-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[NH+](C)CC(C)(C)C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001207274760 813529368 /nfs/dbraw/zinc/52/93/68/813529368.db2.gz GDQRDHVWSLPRFW-UHFFFAOYSA-N 2 1 299.462 3.132 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001208177838 813729387 /nfs/dbraw/zinc/72/93/87/813729387.db2.gz HGCZFADCRGDGIP-KZNAEPCWSA-N 2 1 274.452 3.173 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001208177838 813729390 /nfs/dbraw/zinc/72/93/90/813729390.db2.gz HGCZFADCRGDGIP-KZNAEPCWSA-N 2 1 274.452 3.173 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)CC1CC[NH+](CC)CC1 ZINC001208602072 813770919 /nfs/dbraw/zinc/77/09/19/813770919.db2.gz XCDZSLGOHCCFEZ-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001208607379 813775725 /nfs/dbraw/zinc/77/57/25/813775725.db2.gz MUKREDNOKJXHKP-KRWDZBQOSA-N 2 1 297.446 3.079 20 30 CGEDMP N#CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208932876 813902841 /nfs/dbraw/zinc/90/28/41/813902841.db2.gz RSTBNEXZYGRPHR-IBGZPJMESA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932876 813902847 /nfs/dbraw/zinc/90/28/47/813902847.db2.gz RSTBNEXZYGRPHR-IBGZPJMESA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209161600 813951972 /nfs/dbraw/zinc/95/19/72/813951972.db2.gz AHWZOUXQQQLKNG-UHFFFAOYSA-N 2 1 284.447 3.475 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160692 816366454 /nfs/dbraw/zinc/36/64/54/816366454.db2.gz HZEOWVOAHCYZOM-IBGZPJMESA-N 2 1 297.446 3.304 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595555 816474931 /nfs/dbraw/zinc/47/49/31/816474931.db2.gz CREWDNLEZSEKKO-GOSISDBHSA-N 2 1 284.447 3.422 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035773 818986803 /nfs/dbraw/zinc/98/68/03/818986803.db2.gz HZGMWEKIDHRXEE-QZTJIDSGSA-N 2 1 294.483 3.213 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072155 819301287 /nfs/dbraw/zinc/30/12/87/819301287.db2.gz DXWDSNDAJOZIBY-BLGFXRMMSA-N 2 1 293.499 3.010 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314017 819420838 /nfs/dbraw/zinc/42/08/38/819420838.db2.gz GEDDJBVSNLJLCW-KURKYZTESA-N 2 1 274.452 3.220 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236821549 819608648 /nfs/dbraw/zinc/60/86/48/819608648.db2.gz VKJSPVOWJBMJCI-JYJNAYRXSA-N 2 1 250.430 3.182 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001346196178 936841644 /nfs/dbraw/zinc/84/16/44/936841644.db2.gz YIJBXJIIOSDJGH-FXUDXRNXSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C1 ZINC001473927263 937830749 /nfs/dbraw/zinc/83/07/49/937830749.db2.gz ZNKYAVZLRWNYRD-PMPSAXMXSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925413 933958844 /nfs/dbraw/zinc/95/88/44/933958844.db2.gz MJVWCPKIUIRUPD-VQIMIIECSA-N 2 1 297.446 3.257 20 30 CGEDMP C[N@@H+](CCCC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1 ZINC001328090305 935116181 /nfs/dbraw/zinc/11/61/81/935116181.db2.gz DOAYCSKAXVLUJU-UHFFFAOYSA-N 2 1 297.446 3.074 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001560155541 938245570 /nfs/dbraw/zinc/24/55/70/938245570.db2.gz OCSJSYSAHYBWDN-QGZVFWFLSA-N 2 1 285.435 3.176 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561052832 938292438 /nfs/dbraw/zinc/29/24/38/938292438.db2.gz MEJFWDXIOJTADE-YLFCFFPRSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)[C@H]([NH2+]C[C@]1(C)CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001574831602 962317662 /nfs/dbraw/zinc/31/76/62/962317662.db2.gz UBSHVHFCHKBYSH-JKSUJKDBSA-N 2 1 280.362 3.171 20 30 CGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001574859803 962321464 /nfs/dbraw/zinc/32/14/64/962321464.db2.gz IZDYQRJYVMPZGJ-DZGCQCFKSA-N 2 1 270.848 3.359 20 30 CGEDMP C=CCC[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC001574901709 962334903 /nfs/dbraw/zinc/33/49/03/962334903.db2.gz PXWZDHIHQFNFBM-DLBZAZTESA-N 2 1 288.435 3.168 20 30 CGEDMP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001580036493 962689441 /nfs/dbraw/zinc/68/94/41/962689441.db2.gz XCDOJUOUZHEQRI-OALUTQOASA-N 2 1 297.446 3.148 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577752 346929687 /nfs/dbraw/zinc/92/96/87/346929687.db2.gz LQFJJYSXPAYECX-DOTOQJQBSA-N 2 1 271.408 3.043 20 30 CGEDMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057214 347272707 /nfs/dbraw/zinc/27/27/07/347272707.db2.gz VGPXNYAIWGFCHT-FUHWJXTLSA-N 2 1 297.446 3.398 20 30 CGEDMP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000596984205 347524520 /nfs/dbraw/zinc/52/45/20/347524520.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 2 1 297.446 3.015 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000602948837 348046810 /nfs/dbraw/zinc/04/68/10/348046810.db2.gz FJMZVHZWQIWXPN-HOTGVXAUSA-N 2 1 275.440 3.019 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611390994 348444642 /nfs/dbraw/zinc/44/46/42/348444642.db2.gz YZVQOPIMAKNVBF-HNAYVOBHSA-N 2 1 295.430 3.010 20 30 CGEDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900030 191398221 /nfs/dbraw/zinc/39/82/21/191398221.db2.gz AFMKHIPPWFFTND-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900030 191398223 /nfs/dbraw/zinc/39/82/23/191398223.db2.gz AFMKHIPPWFFTND-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948621 189016358 /nfs/dbraw/zinc/01/63/58/189016358.db2.gz HLSCGEYHPPMNDU-ZIAGYGMSSA-N 2 1 291.464 3.077 20 30 CGEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000120593122 370784424 /nfs/dbraw/zinc/78/44/24/370784424.db2.gz STDLHJBLUHCORJ-UHFFFAOYSA-N 2 1 289.398 3.004 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000120593122 370784427 /nfs/dbraw/zinc/78/44/27/370784427.db2.gz STDLHJBLUHCORJ-UHFFFAOYSA-N 2 1 289.398 3.004 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067691714 369725662 /nfs/dbraw/zinc/72/56/62/369725662.db2.gz CVJNTWSZCHVQNS-INIZCTEOSA-N 2 1 285.435 3.160 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683912 370154155 /nfs/dbraw/zinc/15/41/55/370154155.db2.gz YQBRDMLKOINKHN-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429726278 372377696 /nfs/dbraw/zinc/37/76/96/372377696.db2.gz UVQAZWCCDRIYAP-DLBZAZTESA-N 2 1 277.456 3.123 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccco1 ZINC000293752773 372470234 /nfs/dbraw/zinc/47/02/34/372470234.db2.gz RLPZLECJEFDZBL-KGLIPLIRSA-N 2 1 250.386 3.074 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172577535 372989645 /nfs/dbraw/zinc/98/96/45/372989645.db2.gz JIFSTUFIUFQWBT-GOSISDBHSA-N 2 1 283.419 3.009 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000172577535 372989651 /nfs/dbraw/zinc/98/96/51/372989651.db2.gz JIFSTUFIUFQWBT-GOSISDBHSA-N 2 1 283.419 3.009 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442722667 373069266 /nfs/dbraw/zinc/06/92/66/373069266.db2.gz XXYBOFCHALXAKO-XUWVNRHRSA-N 2 1 277.456 3.025 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723061 373071012 /nfs/dbraw/zinc/07/10/12/373071012.db2.gz WQPKCWLXQSRZDL-IXDOHACOSA-N 2 1 277.456 3.025 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449077455 373658502 /nfs/dbraw/zinc/65/85/02/373658502.db2.gz RUNJYQKFRSLKAR-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449077458 373659300 /nfs/dbraw/zinc/65/93/00/373659300.db2.gz RUNJYQKFRSLKAR-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000183738072 374448828 /nfs/dbraw/zinc/44/88/28/374448828.db2.gz MJRGELZIGUZLCV-CVEARBPZSA-N 2 1 264.457 3.443 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434947 376815657 /nfs/dbraw/zinc/81/56/57/376815657.db2.gz QAWNPIAHDHKHSF-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434947 376815665 /nfs/dbraw/zinc/81/56/65/376815665.db2.gz QAWNPIAHDHKHSF-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434947 376815671 /nfs/dbraw/zinc/81/56/71/376815671.db2.gz QAWNPIAHDHKHSF-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434947 376815679 /nfs/dbraw/zinc/81/56/79/376815679.db2.gz QAWNPIAHDHKHSF-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434947 376815687 /nfs/dbraw/zinc/81/56/87/376815687.db2.gz QAWNPIAHDHKHSF-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249400798 377498250 /nfs/dbraw/zinc/49/82/50/377498250.db2.gz UZZWGCOJGRMQGC-RDJZCZTQSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249400798 377498256 /nfs/dbraw/zinc/49/82/56/377498256.db2.gz UZZWGCOJGRMQGC-RDJZCZTQSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249400800 377499144 /nfs/dbraw/zinc/49/91/44/377499144.db2.gz UZZWGCOJGRMQGC-WBVHZDCISA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249400800 377499150 /nfs/dbraw/zinc/49/91/50/377499150.db2.gz UZZWGCOJGRMQGC-WBVHZDCISA-N 2 1 283.419 3.037 20 30 CGEDMP C=CCC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106663 378225245 /nfs/dbraw/zinc/22/52/45/378225245.db2.gz AYDDIIXCLWMPHE-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccco1 ZINC000580106663 378225251 /nfs/dbraw/zinc/22/52/51/378225251.db2.gz AYDDIIXCLWMPHE-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000580106663 378225262 /nfs/dbraw/zinc/22/52/62/378225262.db2.gz AYDDIIXCLWMPHE-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106663 378225268 /nfs/dbraw/zinc/22/52/68/378225268.db2.gz AYDDIIXCLWMPHE-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812574 378708517 /nfs/dbraw/zinc/70/85/17/378708517.db2.gz NQZLRKLRJFPVOP-ZBFHGGJFSA-N 2 1 278.827 3.239 20 30 CGEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812574 378708523 /nfs/dbraw/zinc/70/85/23/378708523.db2.gz NQZLRKLRJFPVOP-ZBFHGGJFSA-N 2 1 278.827 3.239 20 30 CGEDMP C=C(C)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278888500 194198107 /nfs/dbraw/zinc/19/81/07/194198107.db2.gz NYDPTEGRAJNTPP-UHFFFAOYSA-N 2 1 273.424 3.365 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349800375 379389228 /nfs/dbraw/zinc/38/92/28/379389228.db2.gz CJCQKJCNGAOSKI-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672528 379592978 /nfs/dbraw/zinc/59/29/78/379592978.db2.gz NVCUDPBQVMLAQS-AEFFLSMTSA-N 2 1 297.446 3.180 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000351606563 379728539 /nfs/dbraw/zinc/72/85/39/379728539.db2.gz DHPSEXWIDVFRGV-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCN1C ZINC000411329972 380142985 /nfs/dbraw/zinc/14/29/85/380142985.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329972 380142993 /nfs/dbraw/zinc/14/29/93/380142993.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329972 380142997 /nfs/dbraw/zinc/14/29/97/380142997.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329972 380143002 /nfs/dbraw/zinc/14/30/02/380143002.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329972 380143009 /nfs/dbraw/zinc/14/30/09/380143009.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329972 380143013 /nfs/dbraw/zinc/14/30/13/380143013.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329972 380143018 /nfs/dbraw/zinc/14/30/18/380143018.db2.gz LIBWFDRCLXAXKZ-HZPDHXFCSA-N 2 1 277.456 3.265 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204565 380362317 /nfs/dbraw/zinc/36/23/17/380362317.db2.gz FPJLZPRTKJRDSC-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000191495348 130244358 /nfs/dbraw/zinc/24/43/58/130244358.db2.gz WLHHAVJLRKVOKR-UHFFFAOYSA-N 2 1 296.418 3.229 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191495348 130244359 /nfs/dbraw/zinc/24/43/59/130244359.db2.gz WLHHAVJLRKVOKR-UHFFFAOYSA-N 2 1 296.418 3.229 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000285663526 392328534 /nfs/dbraw/zinc/32/85/34/392328534.db2.gz MYTNDXXKUWGMSS-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663526 392328540 /nfs/dbraw/zinc/32/85/40/392328540.db2.gz MYTNDXXKUWGMSS-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411633807 392984614 /nfs/dbraw/zinc/98/46/14/392984614.db2.gz KDTRKHQVJFSGGD-MRXNPFEDSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000453402210 394234315 /nfs/dbraw/zinc/23/43/15/394234315.db2.gz NMAZWFMWALMYJN-CQSZACIVSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000020189426 171056006 /nfs/dbraw/zinc/05/60/06/171056006.db2.gz DGQZOWNIKGNHJA-UHFFFAOYSA-N 2 1 288.435 3.214 20 30 CGEDMP C=C(CC)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678606 419181901 /nfs/dbraw/zinc/18/19/01/419181901.db2.gz WOLMRVQVUFECAV-UHFFFAOYSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000453390526 263261250 /nfs/dbraw/zinc/26/12/50/263261250.db2.gz YEQCONWUOPMUHJ-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCOc1cccc(CN2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000180043034 264394499 /nfs/dbraw/zinc/39/44/99/264394499.db2.gz SGMOQIYKDPSTJP-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000180043034 264394501 /nfs/dbraw/zinc/39/45/01/264394501.db2.gz SGMOQIYKDPSTJP-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000180043034 264394503 /nfs/dbraw/zinc/39/45/03/264394503.db2.gz SGMOQIYKDPSTJP-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000180043034 264394504 /nfs/dbraw/zinc/39/45/04/264394504.db2.gz SGMOQIYKDPSTJP-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1 ZINC000180043034 264394506 /nfs/dbraw/zinc/39/45/06/264394506.db2.gz SGMOQIYKDPSTJP-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2O)CC1 ZINC000185210892 265015423 /nfs/dbraw/zinc/01/54/23/265015423.db2.gz JOSJSBQILWLLFU-KRWDZBQOSA-N 2 1 288.435 3.473 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559845888 327264761 /nfs/dbraw/zinc/26/47/61/327264761.db2.gz XEGQQEJKYDJSSN-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559845888 327264762 /nfs/dbraw/zinc/26/47/62/327264762.db2.gz XEGQQEJKYDJSSN-IRXDYDNUSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000378402580 329049132 /nfs/dbraw/zinc/04/91/32/329049132.db2.gz MJRTUWUUSHYIIQ-RYRKJORJSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000378402580 329049133 /nfs/dbraw/zinc/04/91/33/329049133.db2.gz MJRTUWUUSHYIIQ-RYRKJORJSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@@H+](CC1CCCCC1)CC1CC[NH2+]CC1 ZINC000178973121 329203622 /nfs/dbraw/zinc/20/36/22/329203622.db2.gz RSBXAZSQQIKNJC-UHFFFAOYSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000262387375 330012195 /nfs/dbraw/zinc/01/21/95/330012195.db2.gz NSXJPQUXSDPFJY-PEZBUJJGSA-N 2 1 270.420 3.330 20 30 CGEDMP C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423136657 330172141 /nfs/dbraw/zinc/17/21/41/330172141.db2.gz VNNVFXAIXVJDMA-DJIMGWMZSA-N 2 1 271.408 3.152 20 30 CGEDMP C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423136663 330172169 /nfs/dbraw/zinc/17/21/69/330172169.db2.gz VNNVFXAIXVJDMA-XIRDDKMYSA-N 2 1 271.408 3.152 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449128668 330900803 /nfs/dbraw/zinc/90/08/03/330900803.db2.gz ZSBREHDGCYXQFJ-AWEZNQCLSA-N 2 1 252.446 3.441 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453195076 331100013 /nfs/dbraw/zinc/10/00/13/331100013.db2.gz OPNYCYJMMJKBHY-IPMKNSEASA-N 2 1 297.446 3.323 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459733561 331296716 /nfs/dbraw/zinc/29/67/16/331296716.db2.gz NVFSERFAIZHYCW-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccco1 ZINC000517356264 333097917 /nfs/dbraw/zinc/09/79/17/333097917.db2.gz VDQYJVJBQGUNKL-AWEZNQCLSA-N 2 1 250.386 3.265 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+]CC(C)(C)CCC#N)([NH+](C)C)C1 ZINC000135160685 334118544 /nfs/dbraw/zinc/11/85/44/334118544.db2.gz AMLMKSFHAWYSTF-WBVHZDCISA-N 2 1 279.472 3.416 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248792814 334317587 /nfs/dbraw/zinc/31/75/87/334317587.db2.gz IXFMSWFYEKYDBK-HYVNUMGLSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(CC)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382022988 336080332 /nfs/dbraw/zinc/08/03/32/336080332.db2.gz YTFHWPMRFKJESA-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382022988 336080334 /nfs/dbraw/zinc/08/03/34/336080334.db2.gz YTFHWPMRFKJESA-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382022988 336080336 /nfs/dbraw/zinc/08/03/36/336080336.db2.gz YTFHWPMRFKJESA-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000411661157 518177081 /nfs/dbraw/zinc/17/70/81/518177081.db2.gz BGUHDTAACGGGGX-AWEZNQCLSA-N 2 1 286.423 3.091 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2sccc2C)CC1 ZINC000106245952 526604753 /nfs/dbraw/zinc/60/47/53/526604753.db2.gz WBFRKIJQFVJVIK-UHFFFAOYSA-N 2 1 264.438 3.187 20 30 CGEDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581574 528255341 /nfs/dbraw/zinc/25/53/41/528255341.db2.gz YUYKZPJPWKCZER-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581574 528255348 /nfs/dbraw/zinc/25/53/48/528255348.db2.gz YUYKZPJPWKCZER-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423302546 528823377 /nfs/dbraw/zinc/82/33/77/528823377.db2.gz VRJWPFDCKCLBQW-JKSUJKDBSA-N 2 1 259.397 3.116 20 30 CGEDMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925841423 619290762 /nfs/dbraw/zinc/29/07/62/619290762.db2.gz QYSJWBPQVRWREM-ROUUACIJSA-N 2 1 277.371 3.101 20 30 CGEDMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924631075 620548732 /nfs/dbraw/zinc/54/87/32/620548732.db2.gz DPQCFHRVCRYFPP-DZGCQCFKSA-N 2 1 267.461 3.271 20 30 CGEDMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924631080 620549122 /nfs/dbraw/zinc/54/91/22/620549122.db2.gz DPQCFHRVCRYFPP-UKRRQHHQSA-N 2 1 267.461 3.271 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381282 621722387 /nfs/dbraw/zinc/72/23/87/621722387.db2.gz UTZIWUKAQMTVMK-ZBFHGGJFSA-N 2 1 261.413 3.019 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718218 621795602 /nfs/dbraw/zinc/79/56/02/621795602.db2.gz INADZWBQJBZWOJ-CQSZACIVSA-N 2 1 264.438 3.126 20 30 CGEDMP C=CC[N@H+](Cc1cccs1)C[C@@H]1CCCC[NH2+]C1 ZINC000903718218 621795604 /nfs/dbraw/zinc/79/56/04/621795604.db2.gz INADZWBQJBZWOJ-CQSZACIVSA-N 2 1 264.438 3.126 20 30 CGEDMP CCC[N@@H+](CCCCC1(C#N)CCC1)C1CC[NH2+]CC1 ZINC000903742246 621801970 /nfs/dbraw/zinc/80/19/70/621801970.db2.gz WDKQVHTULMSXRM-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884794 621826527 /nfs/dbraw/zinc/82/65/27/621826527.db2.gz ANWLUFPANLTSJC-ZXFUBFMLSA-N 2 1 288.410 3.344 20 30 CGEDMP C#CC[NH+](C/C=C/C[N@H+](CC#C)C1CCCC1)C1CCCC1 ZINC000756912275 626741079 /nfs/dbraw/zinc/74/10/79/626741079.db2.gz OELMEMVLHQDCEC-MDZDMXLPSA-N 2 1 298.474 3.298 20 30 CGEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000764806607 627225454 /nfs/dbraw/zinc/22/54/54/627225454.db2.gz OKOOZCXIDPBDKU-INIZCTEOSA-N 2 1 288.435 3.080 20 30 CGEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000764806607 627225456 /nfs/dbraw/zinc/22/54/56/627225456.db2.gz OKOOZCXIDPBDKU-INIZCTEOSA-N 2 1 288.435 3.080 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000772926037 627832924 /nfs/dbraw/zinc/83/29/24/627832924.db2.gz DRXLUWYQULKRLJ-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000793568061 629484785 /nfs/dbraw/zinc/48/47/85/629484785.db2.gz RKEJGWBZYLAHTF-QGZVFWFLSA-N 2 1 295.515 3.127 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865678757 630348378 /nfs/dbraw/zinc/34/83/78/630348378.db2.gz FMNWEPQUZISXLK-UHFFFAOYSA-N 2 1 281.469 3.287 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809605932 630760278 /nfs/dbraw/zinc/76/02/78/630760278.db2.gz KAPRKCHMQXXPBH-QGZVFWFLSA-N 2 1 284.447 3.270 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000809738699 630795492 /nfs/dbraw/zinc/79/54/92/630795492.db2.gz FKURUYVLBRXTET-UHFFFAOYSA-N 2 1 299.443 3.313 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000815651937 631813719 /nfs/dbraw/zinc/81/37/19/631813719.db2.gz JELNQNPTGIBPRJ-GOSISDBHSA-N 2 1 288.435 3.364 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000815651937 631813725 /nfs/dbraw/zinc/81/37/25/631813725.db2.gz JELNQNPTGIBPRJ-GOSISDBHSA-N 2 1 288.435 3.364 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000817965160 632259929 /nfs/dbraw/zinc/25/99/29/632259929.db2.gz QMHDFGCIGCTPTK-CYBMUJFWSA-N 2 1 294.826 3.350 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000877733027 635166619 /nfs/dbraw/zinc/16/66/19/635166619.db2.gz NIGPAPVOAYUWSZ-WBVHZDCISA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000877733027 635166622 /nfs/dbraw/zinc/16/66/22/635166622.db2.gz NIGPAPVOAYUWSZ-WBVHZDCISA-N 2 1 277.456 3.313 20 30 CGEDMP N#Cc1cc(C[NH+]2CC=CCC2)cc(C[N@H+]2CC=CCC2)c1 ZINC000878384802 635485167 /nfs/dbraw/zinc/48/51/67/635485167.db2.gz QCEAAIJVBKJVIN-UHFFFAOYSA-N 2 1 293.414 3.082 20 30 CGEDMP N#Cc1cc(C[NH+]2CC=CCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000878384802 635485171 /nfs/dbraw/zinc/48/51/71/635485171.db2.gz QCEAAIJVBKJVIN-UHFFFAOYSA-N 2 1 293.414 3.082 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951392 635886536 /nfs/dbraw/zinc/88/65/36/635886536.db2.gz MTVICEGCPCPDFL-HNNXBMFYSA-N 2 1 263.429 3.019 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000880255237 635957748 /nfs/dbraw/zinc/95/77/48/635957748.db2.gz FICZHFYEFWOKID-MRXNPFEDSA-N 2 1 277.456 3.409 20 30 CGEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000883218157 636591666 /nfs/dbraw/zinc/59/16/66/636591666.db2.gz VMHPWDBZZZFUML-QGZVFWFLSA-N 2 1 283.419 3.130 20 30 CGEDMP CCCCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000848996302 636709371 /nfs/dbraw/zinc/70/93/71/636709371.db2.gz OQFNHDMBORLWHO-MRXNPFEDSA-N 2 1 296.503 3.191 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109100 637599026 /nfs/dbraw/zinc/59/90/26/637599026.db2.gz VMCRCXDVQKLCHU-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852109100 637599031 /nfs/dbraw/zinc/59/90/31/637599031.db2.gz VMCRCXDVQKLCHU-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852109100 637599037 /nfs/dbraw/zinc/59/90/37/637599037.db2.gz VMCRCXDVQKLCHU-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000924601405 638372093 /nfs/dbraw/zinc/37/20/93/638372093.db2.gz FFCRVHPLWMQBMQ-INIZCTEOSA-N 2 1 299.462 3.353 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000924601405 638372098 /nfs/dbraw/zinc/37/20/98/638372098.db2.gz FFCRVHPLWMQBMQ-INIZCTEOSA-N 2 1 299.462 3.353 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252134060 806019638 /nfs/dbraw/zinc/01/96/38/806019638.db2.gz UQWHTMFLFQYLTM-QGZVFWFLSA-N 2 1 286.504 3.372 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252135972 806022011 /nfs/dbraw/zinc/02/20/11/806022011.db2.gz KDMXRGHCAJRKKM-DLBZAZTESA-N 2 1 284.488 3.029 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001254660334 806478082 /nfs/dbraw/zinc/47/80/82/806478082.db2.gz XHEAWTWEWUCLIY-IRXDYDNUSA-N 2 1 287.451 3.019 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660334 806478087 /nfs/dbraw/zinc/47/80/87/806478087.db2.gz XHEAWTWEWUCLIY-IRXDYDNUSA-N 2 1 287.451 3.019 20 30 CGEDMP C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677236 806484302 /nfs/dbraw/zinc/48/43/02/806484302.db2.gz RKSBJUAQXQZUFS-MAUKXSAKSA-N 2 1 289.467 3.408 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122392 806548194 /nfs/dbraw/zinc/54/81/94/806548194.db2.gz PHAOWJJTYDQHSO-NNZMDNLPSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406071 806634466 /nfs/dbraw/zinc/63/44/66/806634466.db2.gz OZIOWKPEONTLIV-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406071 806634470 /nfs/dbraw/zinc/63/44/70/806634470.db2.gz OZIOWKPEONTLIV-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406071 806634475 /nfs/dbraw/zinc/63/44/75/806634475.db2.gz OZIOWKPEONTLIV-QUCCMNQESA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408077 806635657 /nfs/dbraw/zinc/63/56/57/806635657.db2.gz HSNKCQXHVAEDPJ-FQEVSTJZSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000328109868 799249879 /nfs/dbraw/zinc/24/98/79/799249879.db2.gz NQBJTJJQPVORNJ-LBPRGKRZSA-N 2 1 282.790 3.085 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716627531 800177686 /nfs/dbraw/zinc/17/76/86/800177686.db2.gz RFUAHZHRUKJRQF-ZCNNSNEGSA-N 2 1 296.458 3.433 20 30 CGEDMP C#CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716719017 800178643 /nfs/dbraw/zinc/17/86/43/800178643.db2.gz PYVFALPZQOQDCT-OTWHNJEPSA-N 2 1 282.431 3.043 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523555 806909998 /nfs/dbraw/zinc/90/99/98/806909998.db2.gz PVVHOEVZDPOKCD-WBVHZDCISA-N 2 1 270.420 3.041 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523555 806910003 /nfs/dbraw/zinc/91/00/03/806910003.db2.gz PVVHOEVZDPOKCD-WBVHZDCISA-N 2 1 270.420 3.041 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001245981515 804093560 /nfs/dbraw/zinc/09/35/60/804093560.db2.gz HQQJBXLEPAZQRW-BBWFWOEESA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246026095 804099867 /nfs/dbraw/zinc/09/98/67/804099867.db2.gz ZHYSXSXTEFCQCG-MSOLQXFVSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246029551 804102201 /nfs/dbraw/zinc/10/22/01/804102201.db2.gz PYQZDAUGTRNRFI-FGTMMUONSA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC001246038375 804102247 /nfs/dbraw/zinc/10/22/47/804102247.db2.gz JWSINOXRWGRFEV-INIZCTEOSA-N 2 1 272.477 3.159 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032143 804102885 /nfs/dbraw/zinc/10/28/85/804102885.db2.gz RTGVLSZLKKMFJI-BRWVUGGUSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246032143 804102892 /nfs/dbraw/zinc/10/28/92/804102892.db2.gz RTGVLSZLKKMFJI-BRWVUGGUSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242012 804233370 /nfs/dbraw/zinc/23/33/70/804233370.db2.gz VZYCQCXFSCTGSB-HOTGVXAUSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453344 804336078 /nfs/dbraw/zinc/33/60/78/804336078.db2.gz NLVPPJZJAAFIIK-QGZVFWFLSA-N 3 1 285.520 3.434 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535956 804386089 /nfs/dbraw/zinc/38/60/89/804386089.db2.gz QWWOUYNJCYDQPV-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541342 804391012 /nfs/dbraw/zinc/39/10/12/804391012.db2.gz GSJXXMUKFGRUEJ-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)C[C@H](C1)C2 ZINC001246561998 804412502 /nfs/dbraw/zinc/41/25/02/804412502.db2.gz VGCXEFDDQGUXAC-LPNAZMDGSA-N 2 1 276.468 3.428 20 30 CGEDMP CC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592945 804435707 /nfs/dbraw/zinc/43/57/07/804435707.db2.gz MIBKVYNUNGMRCR-BWTSREIZSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1C[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592945 804435709 /nfs/dbraw/zinc/43/57/09/804435709.db2.gz MIBKVYNUNGMRCR-BWTSREIZSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246628519 804458518 /nfs/dbraw/zinc/45/85/18/804458518.db2.gz ZZRUMKNXTZVNGI-KZNAEPCWSA-N 2 1 296.499 3.436 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630971 804460137 /nfs/dbraw/zinc/46/01/37/804460137.db2.gz MUIOMZVVALFMJR-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246630971 804460142 /nfs/dbraw/zinc/46/01/42/804460142.db2.gz MUIOMZVVALFMJR-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246790979 804512778 /nfs/dbraw/zinc/51/27/78/804512778.db2.gz FWTCWBJHUDFYTF-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC001246790979 804512779 /nfs/dbraw/zinc/51/27/79/804512779.db2.gz FWTCWBJHUDFYTF-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246818264 804533427 /nfs/dbraw/zinc/53/34/27/804533427.db2.gz ZDCQJBLQQVIDID-ZHALLVOQSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246818264 804533432 /nfs/dbraw/zinc/53/34/32/804533432.db2.gz ZDCQJBLQQVIDID-ZHALLVOQSA-N 2 1 282.431 3.140 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001248750948 804984849 /nfs/dbraw/zinc/98/48/49/804984849.db2.gz CRZRTVKHCFOTFX-UHFFFAOYSA-N 2 1 285.435 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001248750948 804984854 /nfs/dbraw/zinc/98/48/54/804984854.db2.gz CRZRTVKHCFOTFX-UHFFFAOYSA-N 2 1 285.435 3.038 20 30 CGEDMP N#Cc1ccc(C2CCC(n3c[nH+]cc3CC[NH3+])CC2)cc1 ZINC001257010176 807026369 /nfs/dbraw/zinc/02/63/69/807026369.db2.gz UDSLMRXIGUUGRE-UHFFFAOYSA-N 2 1 294.402 3.155 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258050953 807276541 /nfs/dbraw/zinc/27/65/41/807276541.db2.gz ZYKDPINNLWBECL-HNNXBMFYSA-N 2 1 263.429 3.490 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258050953 807276546 /nfs/dbraw/zinc/27/65/46/807276546.db2.gz ZYKDPINNLWBECL-HNNXBMFYSA-N 2 1 263.429 3.490 20 30 CGEDMP CC1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994767 807294595 /nfs/dbraw/zinc/29/45/95/807294595.db2.gz NXAPHUKVWXRGHB-SJPCQFCGSA-N 2 1 287.451 3.017 20 30 CGEDMP C#CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007984 807298648 /nfs/dbraw/zinc/29/86/48/807298648.db2.gz VXRGYCXLUTVGFV-IZZQQSIFSA-N 2 1 284.447 3.431 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155041 807596685 /nfs/dbraw/zinc/59/66/85/807596685.db2.gz WKLJIAONPQTBFQ-FVQHAEBGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155041 807596689 /nfs/dbraw/zinc/59/66/89/807596689.db2.gz WKLJIAONPQTBFQ-FVQHAEBGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155041 807596694 /nfs/dbraw/zinc/59/66/94/807596694.db2.gz WKLJIAONPQTBFQ-FVQHAEBGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155041 807596699 /nfs/dbraw/zinc/59/66/99/807596699.db2.gz WKLJIAONPQTBFQ-FVQHAEBGSA-N 2 1 262.441 3.432 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172308511 808223270 /nfs/dbraw/zinc/22/32/70/808223270.db2.gz KWVZGWCUCXHEEP-INIZCTEOSA-N 2 1 297.446 3.049 20 30 CGEDMP C[C@@H](CCCC#N)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488216 808348754 /nfs/dbraw/zinc/34/87/54/808348754.db2.gz RJZZTKGYNNHFSG-BPUTZDHNSA-N 2 1 263.429 3.051 20 30 CGEDMP C=CCOC1CCC([NH2+]CCC[N@H+](C)CCCC)CC1 ZINC001173313071 808607726 /nfs/dbraw/zinc/60/77/26/808607726.db2.gz RDXDJHXFCOVCGH-UHFFFAOYSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274974674 808896955 /nfs/dbraw/zinc/89/69/55/808896955.db2.gz ORZAYOHJCZPGKL-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274974674 808896957 /nfs/dbraw/zinc/89/69/57/808896957.db2.gz ORZAYOHJCZPGKL-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274974674 808896963 /nfs/dbraw/zinc/89/69/63/808896963.db2.gz ORZAYOHJCZPGKL-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP CCCCCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001275126582 808912048 /nfs/dbraw/zinc/91/20/48/808912048.db2.gz MTRXKZRZOKPJHJ-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001275126582 808912059 /nfs/dbraw/zinc/91/20/59/808912059.db2.gz MTRXKZRZOKPJHJ-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001275126582 808912068 /nfs/dbraw/zinc/91/20/68/808912068.db2.gz MTRXKZRZOKPJHJ-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP Cc1ccc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1C#N ZINC001275374389 808932683 /nfs/dbraw/zinc/93/26/83/808932683.db2.gz XWYICXZJJAULLG-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1C#N ZINC001275374389 808932689 /nfs/dbraw/zinc/93/26/89/808932689.db2.gz XWYICXZJJAULLG-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1C#N ZINC001275374389 808932694 /nfs/dbraw/zinc/93/26/94/808932694.db2.gz XWYICXZJJAULLG-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C#N ZINC001275374389 808932700 /nfs/dbraw/zinc/93/27/00/808932700.db2.gz XWYICXZJJAULLG-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1C#N ZINC001275374389 808932705 /nfs/dbraw/zinc/93/27/05/808932705.db2.gz XWYICXZJJAULLG-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205995757 813157324 /nfs/dbraw/zinc/15/73/24/813157324.db2.gz PXPVFPMMWLMDAZ-DOTOQJQBSA-N 2 1 288.435 3.058 20 30 CGEDMP C#Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1 ZINC001206589982 813366782 /nfs/dbraw/zinc/36/67/82/813366782.db2.gz JZZGVDKHJRYYHD-SFHVURJKSA-N 2 1 270.420 3.020 20 30 CGEDMP C=CC[N@H+](CC1(C[NH+](C)C)CCCC1)C(C)(C)C ZINC001208186930 813734931 /nfs/dbraw/zinc/73/49/31/813734931.db2.gz BAWNQTVJKHVSOG-UHFFFAOYSA-N 2 1 252.446 3.395 20 30 CGEDMP CCCCCCCCC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235008235 818979137 /nfs/dbraw/zinc/97/91/37/818979137.db2.gz SPCZDPZIBUEGHZ-GOSISDBHSA-N 2 1 296.499 3.439 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225306 819039878 /nfs/dbraw/zinc/03/98/78/819039878.db2.gz SASNPCFERUTPOA-KBPBESRZSA-N 2 1 290.373 3.207 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2CC#N)CC1 ZINC001235522235 819114435 /nfs/dbraw/zinc/11/44/35/819114435.db2.gz BHGQYPKWESPHSP-UHFFFAOYSA-N 2 1 299.462 3.305 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001236211080 819372755 /nfs/dbraw/zinc/37/27/55/819372755.db2.gz GXBOAKGXCWGRNL-IKGGRYGDSA-N 2 1 262.441 3.491 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001236211080 819372759 /nfs/dbraw/zinc/37/27/59/819372759.db2.gz GXBOAKGXCWGRNL-IKGGRYGDSA-N 2 1 262.441 3.491 20 30 CGEDMP C=CCCCCCC[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236836315 819615061 /nfs/dbraw/zinc/61/50/61/819615061.db2.gz UUOQUENXAHDLDX-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C[NH+](C)[C@@H]1CCCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC001320878087 934115567 /nfs/dbraw/zinc/11/55/67/934115567.db2.gz ZGSILNYEXVXTKU-QGLXBCBXSA-N 2 1 297.446 3.073 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001333162469 935514776 /nfs/dbraw/zinc/51/47/76/935514776.db2.gz CCZPGOVXBNEOCL-UHFFFAOYSA-N 2 1 297.446 3.141 20 30 CGEDMP C#CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CCCCC1 ZINC001574637221 962314851 /nfs/dbraw/zinc/31/48/51/962314851.db2.gz KDRSVRMCZQGPLB-HNNXBMFYSA-N 2 1 264.457 3.408 20 30 CGEDMP C#CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1CCCCC1 ZINC001574637221 962314868 /nfs/dbraw/zinc/31/48/68/962314868.db2.gz KDRSVRMCZQGPLB-HNNXBMFYSA-N 2 1 264.457 3.408 20 30 CGEDMP C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001574907650 962331966 /nfs/dbraw/zinc/33/19/66/962331966.db2.gz VNMNJWYMWCETEC-GVDBMIGSSA-N 2 1 280.456 3.094 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000651685690 398269141 /nfs/dbraw/zinc/26/91/41/398269141.db2.gz APSSAFKMTJUTCE-OWCLPIDISA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)C[NH+](CC)C/C=C/C[N@H+](CC)CC(=C)C ZINC000114712361 345966633 /nfs/dbraw/zinc/96/66/33/345966633.db2.gz LYNYJPXEALPWNA-MDZDMXLPSA-N 2 1 250.430 3.339 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169445 346160700 /nfs/dbraw/zinc/16/07/00/346160700.db2.gz ZQSMQZPEMABIJN-MRXNPFEDSA-N 2 1 250.430 3.006 20 30 CGEDMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623557 347329601 /nfs/dbraw/zinc/32/96/01/347329601.db2.gz TZWSIBSTHFOKAI-INIZCTEOSA-N 2 1 294.402 3.306 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068610 347713820 /nfs/dbraw/zinc/71/38/20/347713820.db2.gz AEENWWPTIXENEO-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068610 347713822 /nfs/dbraw/zinc/71/38/22/347713822.db2.gz AEENWWPTIXENEO-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602524754 347975984 /nfs/dbraw/zinc/97/59/84/347975984.db2.gz DOCBDQNCSMCWDO-LSDHHAIUSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000602524754 347975988 /nfs/dbraw/zinc/97/59/88/347975988.db2.gz DOCBDQNCSMCWDO-LSDHHAIUSA-N 2 1 265.445 3.026 20 30 CGEDMP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000614168117 348654069 /nfs/dbraw/zinc/65/40/69/348654069.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000614168117 348654072 /nfs/dbraw/zinc/65/40/72/348654072.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000614168117 348654075 /nfs/dbraw/zinc/65/40/75/348654075.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 2 1 299.462 3.261 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933434 188288579 /nfs/dbraw/zinc/28/85/79/188288579.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933434 188288581 /nfs/dbraw/zinc/28/85/81/188288581.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933434 188288582 /nfs/dbraw/zinc/28/85/82/188288582.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933434 188288583 /nfs/dbraw/zinc/28/85/83/188288583.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 2 1 285.435 3.275 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000124883947 370929535 /nfs/dbraw/zinc/92/95/35/370929535.db2.gz RKHZQVKJNZEPKA-UHFFFAOYSA-N 2 1 269.392 3.270 20 30 CGEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000124883947 370929538 /nfs/dbraw/zinc/92/95/38/370929538.db2.gz RKHZQVKJNZEPKA-UHFFFAOYSA-N 2 1 269.392 3.270 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000276389558 193312035 /nfs/dbraw/zinc/31/20/35/193312035.db2.gz BIADKSLJTRDBBU-GDBMZVCRSA-N 2 1 274.408 3.361 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389558 193312037 /nfs/dbraw/zinc/31/20/37/193312037.db2.gz BIADKSLJTRDBBU-GDBMZVCRSA-N 2 1 274.408 3.361 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCC#N)C2)CC1 ZINC000069608395 369765083 /nfs/dbraw/zinc/76/50/83/369765083.db2.gz MYZXZKOORWQAGC-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C[N@@H+](CCCCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110141 369930105 /nfs/dbraw/zinc/93/01/05/369930105.db2.gz ABRDNZHYCOVYCF-SFHVURJKSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+](CCCCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110141 369930111 /nfs/dbraw/zinc/93/01/11/369930111.db2.gz ABRDNZHYCOVYCF-SFHVURJKSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+](CCCCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110141 369930118 /nfs/dbraw/zinc/93/01/18/369930118.db2.gz ABRDNZHYCOVYCF-SFHVURJKSA-N 2 1 285.435 3.134 20 30 CGEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262883 371407710 /nfs/dbraw/zinc/40/77/10/371407710.db2.gz VFDOAUQLSIZLSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262883 371407713 /nfs/dbraw/zinc/40/77/13/371407713.db2.gz VFDOAUQLSIZLSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262883 371407718 /nfs/dbraw/zinc/40/77/18/371407718.db2.gz VFDOAUQLSIZLSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262883 371407722 /nfs/dbraw/zinc/40/77/22/371407722.db2.gz VFDOAUQLSIZLSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423303440 372050122 /nfs/dbraw/zinc/05/01/22/372050122.db2.gz XBWRFNJHFBLWSF-WMZOPIPTSA-N 2 1 285.435 3.433 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442716557 373070045 /nfs/dbraw/zinc/07/00/45/373070045.db2.gz MPXHMLVPQQLNTN-VVLHAWIVSA-N 2 1 277.456 3.026 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705821 375077378 /nfs/dbraw/zinc/07/73/78/375077378.db2.gz CTOZZHCFGUCHFU-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705821 375077385 /nfs/dbraw/zinc/07/73/85/375077385.db2.gz CTOZZHCFGUCHFU-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705821 375077395 /nfs/dbraw/zinc/07/73/95/375077395.db2.gz CTOZZHCFGUCHFU-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705821 375077402 /nfs/dbraw/zinc/07/74/02/375077402.db2.gz CTOZZHCFGUCHFU-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CC(C)[N@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000543395246 376634600 /nfs/dbraw/zinc/63/46/00/376634600.db2.gz WJZKDWJOJQVERM-UHFFFAOYSA-N 2 1 274.393 3.058 20 30 CGEDMP CC(C)[N@@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000543395246 376634607 /nfs/dbraw/zinc/63/46/07/376634607.db2.gz WJZKDWJOJQVERM-UHFFFAOYSA-N 2 1 274.393 3.058 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921168 377429487 /nfs/dbraw/zinc/42/94/87/377429487.db2.gz WRHGDBDJPWCFNW-ZACQAIPSSA-N 2 1 277.456 3.026 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707613 377614282 /nfs/dbraw/zinc/61/42/82/377614282.db2.gz NGQFEDXVEKQCEO-ZOCIIQOWSA-N 2 1 297.446 3.256 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000579915271 378206898 /nfs/dbraw/zinc/20/68/98/378206898.db2.gz PPKVXDBNQBHEML-CVEARBPZSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000579915273 378207110 /nfs/dbraw/zinc/20/71/10/378207110.db2.gz PPKVXDBNQBHEML-HZPDHXFCSA-N 2 1 252.446 3.441 20 30 CGEDMP C#CCCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272717778 378693117 /nfs/dbraw/zinc/69/31/17/378693117.db2.gz DSYVXBXTPIXTBS-IEBWSBKVSA-N 2 1 284.447 3.290 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246454371 804336393 /nfs/dbraw/zinc/33/63/93/804336393.db2.gz RYOFQYTXFHKMPI-MRXNPFEDSA-N 3 1 271.493 3.044 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446498 380036121 /nfs/dbraw/zinc/03/61/21/380036121.db2.gz RUYCTULZXLOSKC-HZPDHXFCSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446498 380036130 /nfs/dbraw/zinc/03/61/30/380036130.db2.gz RUYCTULZXLOSKC-HZPDHXFCSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446498 380036140 /nfs/dbraw/zinc/03/61/40/380036140.db2.gz RUYCTULZXLOSKC-HZPDHXFCSA-N 2 1 279.472 3.369 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414296149 380207943 /nfs/dbraw/zinc/20/79/43/380207943.db2.gz FYHMYVMXBBOVIV-CGTJXYLNSA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414296149 380207948 /nfs/dbraw/zinc/20/79/48/380207948.db2.gz FYHMYVMXBBOVIV-CGTJXYLNSA-N 2 1 272.436 3.246 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204562 380362564 /nfs/dbraw/zinc/36/25/64/380362564.db2.gz FPJLZPRTKJRDSC-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358337020 381306219 /nfs/dbraw/zinc/30/62/19/381306219.db2.gz DWKPNLCRQDCVNC-ZTFGCOKTSA-N 2 1 283.419 3.104 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455751 381753217 /nfs/dbraw/zinc/75/32/17/381753217.db2.gz FNLADNZTVXTSAH-QXCFHYIPSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000361455751 381753223 /nfs/dbraw/zinc/75/32/23/381753223.db2.gz FNLADNZTVXTSAH-QXCFHYIPSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000336806216 262395385 /nfs/dbraw/zinc/39/53/85/262395385.db2.gz LGKYUELFGUKIFX-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000336806216 262395388 /nfs/dbraw/zinc/39/53/88/262395388.db2.gz LGKYUELFGUKIFX-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806216 262395389 /nfs/dbraw/zinc/39/53/89/262395389.db2.gz LGKYUELFGUKIFX-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806216 262395391 /nfs/dbraw/zinc/39/53/91/262395391.db2.gz LGKYUELFGUKIFX-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C=C(CC)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000097191737 392261907 /nfs/dbraw/zinc/26/19/07/392261907.db2.gz HTNBNDJBYHEHDT-UHFFFAOYSA-N 2 1 258.409 3.207 20 30 CGEDMP C[N@@H+](CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000453408156 394236899 /nfs/dbraw/zinc/23/68/99/394236899.db2.gz SIAHFJHAWPSIBG-SFHVURJKSA-N 2 1 283.419 3.010 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189667 171055373 /nfs/dbraw/zinc/05/53/73/171055373.db2.gz VBUINIVXFQXRJR-CQSZACIVSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130639773 264359948 /nfs/dbraw/zinc/35/99/48/264359948.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130639773 264359951 /nfs/dbraw/zinc/35/99/51/264359951.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000130639773 264359953 /nfs/dbraw/zinc/35/99/53/264359953.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000130639773 264359954 /nfs/dbraw/zinc/35/99/54/264359954.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130639568 264360051 /nfs/dbraw/zinc/36/00/51/264360051.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130639568 264360054 /nfs/dbraw/zinc/36/00/54/264360054.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000130639568 264360057 /nfs/dbraw/zinc/36/00/57/264360057.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000130639568 264360059 /nfs/dbraw/zinc/36/00/59/264360059.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000248530671 278344574 /nfs/dbraw/zinc/34/45/74/278344574.db2.gz NPVYJKMFOOYPEE-HZPDHXFCSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414715968 328216550 /nfs/dbraw/zinc/21/65/50/328216550.db2.gz XZSWVHHDLJFSOI-WBVHZDCISA-N 2 1 258.409 3.063 20 30 CGEDMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423266824 330184041 /nfs/dbraw/zinc/18/40/41/330184041.db2.gz SHTGIKIWTHCBIB-XBMUEBEBSA-N 2 1 299.462 3.354 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000527922802 330295919 /nfs/dbraw/zinc/29/59/19/330295919.db2.gz AXPMZZWHAAHRQB-IRXDYDNUSA-N 2 1 296.499 3.315 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424318601 330339949 /nfs/dbraw/zinc/33/99/49/330339949.db2.gz DAJBXPMWTXSQOB-XGXHKWSGSA-N 2 1 297.446 3.179 20 30 CGEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789940 333049357 /nfs/dbraw/zinc/04/93/57/333049357.db2.gz OIUZWQSGKNUJRC-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185776550 333148531 /nfs/dbraw/zinc/14/85/31/333148531.db2.gz KYEUNDGDCLWWIE-RCCFBDPRSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000174363450 335153172 /nfs/dbraw/zinc/15/31/72/335153172.db2.gz ZDYQCNTXIYUEOH-UHFFFAOYSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC(CC)[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000135144953 334117803 /nfs/dbraw/zinc/11/78/03/334117803.db2.gz LBIXQBHQGAIPGF-HNNXBMFYSA-N 2 1 267.461 3.272 20 30 CGEDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581573 528262654 /nfs/dbraw/zinc/26/26/54/528262654.db2.gz YUYKZPJPWKCZER-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581573 528262658 /nfs/dbraw/zinc/26/26/58/528262658.db2.gz YUYKZPJPWKCZER-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902726614 621413841 /nfs/dbraw/zinc/41/38/41/621413841.db2.gz RHRMRZQWVJIRRH-MSOLQXFVSA-N 2 1 294.483 3.354 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902789480 621446501 /nfs/dbraw/zinc/44/65/01/621446501.db2.gz HBTWAASVPANMMW-RDTXWAMCSA-N 2 1 296.418 3.440 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722169 621796252 /nfs/dbraw/zinc/79/62/52/621796252.db2.gz ICUWTFDZVCFCAH-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722169 621796255 /nfs/dbraw/zinc/79/62/55/621796255.db2.gz ICUWTFDZVCFCAH-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP N#CC1(CCCC[N@@H+]2CCCC[C@H]2CC[NH3+])CCC1 ZINC000903749162 621799607 /nfs/dbraw/zinc/79/96/07/621799607.db2.gz GMSOGXKDOVAVTH-HNNXBMFYSA-N 2 1 263.429 3.054 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739960 621800968 /nfs/dbraw/zinc/80/09/68/621800968.db2.gz BRFVZFVIHPUAMA-IRXDYDNUSA-N 2 1 289.467 3.315 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(F)c2)CC1 ZINC000765837425 627274368 /nfs/dbraw/zinc/27/43/68/627274368.db2.gz WNVKYBFBVXXFTI-OAHLLOKOSA-N 2 1 290.426 3.387 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788471529 629056640 /nfs/dbraw/zinc/05/66/40/629056640.db2.gz WRUAVEHWKVYVRI-UHFFFAOYSA-N 2 1 258.409 3.016 20 30 CGEDMP C#C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684417 630779676 /nfs/dbraw/zinc/77/96/76/630779676.db2.gz BEYMDRCHAPJCQL-QRQLOZEOSA-N 2 1 284.447 3.144 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144380 631729888 /nfs/dbraw/zinc/72/98/88/631729888.db2.gz YTEJQWZBDRSUMA-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815144380 631729891 /nfs/dbraw/zinc/72/98/91/631729891.db2.gz YTEJQWZBDRSUMA-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144380 631729895 /nfs/dbraw/zinc/72/98/95/631729895.db2.gz YTEJQWZBDRSUMA-INIZCTEOSA-N 2 1 252.446 3.375 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000815651829 631813812 /nfs/dbraw/zinc/81/38/12/631813812.db2.gz FMOAMBXFLOLBEG-GFCCVEGCSA-N 2 1 284.856 3.397 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000815651829 631813819 /nfs/dbraw/zinc/81/38/19/631813819.db2.gz FMOAMBXFLOLBEG-GFCCVEGCSA-N 2 1 284.856 3.397 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000877020259 634952572 /nfs/dbraw/zinc/95/25/72/634952572.db2.gz NCAHGMNXJZSPDM-KRWDZBQOSA-N 2 1 264.457 3.280 20 30 CGEDMP C[N@H+]1CC[C@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576144 635814184 /nfs/dbraw/zinc/81/41/84/635814184.db2.gz QKNFUMCNTVZMDS-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576144 635814189 /nfs/dbraw/zinc/81/41/89/635814189.db2.gz QKNFUMCNTVZMDS-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576144 635814193 /nfs/dbraw/zinc/81/41/93/635814193.db2.gz QKNFUMCNTVZMDS-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576144 635814195 /nfs/dbraw/zinc/81/41/95/635814195.db2.gz QKNFUMCNTVZMDS-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@H]21 ZINC000879576144 635814197 /nfs/dbraw/zinc/81/41/97/635814197.db2.gz QKNFUMCNTVZMDS-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C=CCCCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848550721 636601995 /nfs/dbraw/zinc/60/19/95/636601995.db2.gz VJWVGFYEJPZHMT-GOSISDBHSA-N 2 1 294.483 3.356 20 30 CGEDMP C=CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000850388697 637044586 /nfs/dbraw/zinc/04/45/86/637044586.db2.gz KBXJJINJJUNXHB-UHFFFAOYSA-N 2 1 279.453 3.183 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721309 800178497 /nfs/dbraw/zinc/17/84/97/800178497.db2.gz ZXZINZVTJHSOKR-OKYOBFRVSA-N 2 1 282.431 3.041 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523552 806909458 /nfs/dbraw/zinc/90/94/58/806909458.db2.gz PVVHOEVZDPOKCD-RDJZCZTQSA-N 2 1 270.420 3.041 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523552 806909461 /nfs/dbraw/zinc/90/94/61/806909461.db2.gz PVVHOEVZDPOKCD-RDJZCZTQSA-N 2 1 270.420 3.041 20 30 CGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172489804 808350759 /nfs/dbraw/zinc/35/07/59/808350759.db2.gz QLLYKXWQGXBXME-OAHLLOKOSA-N 2 1 286.423 3.031 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@H+](CC[NH3+])CCO ZINC001173308545 808604965 /nfs/dbraw/zinc/60/49/65/808604965.db2.gz AVCNTMSIXZBLGL-MRXNPFEDSA-N 2 1 272.477 3.159 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001173308545 808604968 /nfs/dbraw/zinc/60/49/68/808604968.db2.gz AVCNTMSIXZBLGL-MRXNPFEDSA-N 2 1 272.477 3.159 20 30 CGEDMP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256900846 807003223 /nfs/dbraw/zinc/00/32/23/807003223.db2.gz QMRRVQYNNACSLO-GOSISDBHSA-N 2 1 297.446 3.097 20 30 CGEDMP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256900846 807003230 /nfs/dbraw/zinc/00/32/30/807003230.db2.gz QMRRVQYNNACSLO-GOSISDBHSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@]1(CCC)CC[NH2+]1 ZINC001246021164 804099701 /nfs/dbraw/zinc/09/97/01/804099701.db2.gz WAFOCHFYJUTKSR-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246025656 804100819 /nfs/dbraw/zinc/10/08/19/804100819.db2.gz LSRCVWWOLVOJHM-RCCFBDPRSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246025656 804100823 /nfs/dbraw/zinc/10/08/23/804100823.db2.gz LSRCVWWOLVOJHM-RCCFBDPRSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246045507 804104509 /nfs/dbraw/zinc/10/45/09/804104509.db2.gz KTWFXQQKBBMFDR-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246045507 804104514 /nfs/dbraw/zinc/10/45/14/804104514.db2.gz KTWFXQQKBBMFDR-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246267930 804248685 /nfs/dbraw/zinc/24/86/85/804248685.db2.gz UDKDOLWVCQTFFO-PMACEKPBSA-N 2 1 290.410 3.251 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246295900 804264646 /nfs/dbraw/zinc/26/46/46/804264646.db2.gz QEMFEGSNNCBGBM-DLBZAZTESA-N 2 1 284.488 3.220 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001246399660 804321236 /nfs/dbraw/zinc/32/12/36/804321236.db2.gz KVLAJABQNRONHB-RHSMWYFYSA-N 2 1 289.398 3.148 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246486846 804357417 /nfs/dbraw/zinc/35/74/17/804357417.db2.gz FYSOBGZQZDWSOF-SJORKVTESA-N 2 1 283.504 3.057 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246551986 804402325 /nfs/dbraw/zinc/40/23/25/804402325.db2.gz OBJQYUWGQSHGTM-LADIWZGKSA-N 2 1 262.441 3.038 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625252 804456981 /nfs/dbraw/zinc/45/69/81/804456981.db2.gz QETLNPSUHFQGIO-OWCLPIDISA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629286 804460658 /nfs/dbraw/zinc/46/06/58/804460658.db2.gz YMVKZTVJBKAEDX-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246632684 804462441 /nfs/dbraw/zinc/46/24/41/804462441.db2.gz WSFGKAFVWICOIS-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653930 804480328 /nfs/dbraw/zinc/48/03/28/804480328.db2.gz CNPVNVNXDQWTPN-CAOSSQGBSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246660690 804484207 /nfs/dbraw/zinc/48/42/07/804484207.db2.gz IYKJUMQSSRIWAI-LVQVYYBASA-N 2 1 252.446 3.405 20 30 CGEDMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768156 804500448 /nfs/dbraw/zinc/50/04/48/804500448.db2.gz FDTCBKKTZXHKKV-ZWKOTPCHSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246770941 804502161 /nfs/dbraw/zinc/50/21/61/804502161.db2.gz STLRVVWUZWECDT-CQSZACIVSA-N 2 1 270.486 3.126 20 30 CGEDMP CCCC[N@@H+](CCC#N)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246770994 804503581 /nfs/dbraw/zinc/50/35/81/804503581.db2.gz UUCZTDXXCHKHMB-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)CC2)cc1 ZINC001246862752 804566907 /nfs/dbraw/zinc/56/69/07/804566907.db2.gz RCKNZRUIQFBQKF-JWHDQAAXSA-N 2 1 295.430 3.008 20 30 CGEDMP C[NH+]1CCC([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257007573 807025064 /nfs/dbraw/zinc/02/50/64/807025064.db2.gz AWQLSEUAQGKNCC-UHFFFAOYSA-N 2 1 297.446 3.268 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3C[C@H]4C[N@@H+](CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894377 807243787 /nfs/dbraw/zinc/24/37/87/807243787.db2.gz RLLPUDKHPLQFLF-FVGDGBDSSA-N 2 1 274.452 3.005 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894377 807243792 /nfs/dbraw/zinc/24/37/92/807243792.db2.gz RLLPUDKHPLQFLF-FVGDGBDSSA-N 2 1 274.452 3.005 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH+](CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894377 807243796 /nfs/dbraw/zinc/24/37/96/807243796.db2.gz RLLPUDKHPLQFLF-FVGDGBDSSA-N 2 1 274.452 3.005 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001167824321 807256347 /nfs/dbraw/zinc/25/63/47/807256347.db2.gz DJXNXPDZGNWKBB-HZPDHXFCSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258728238 807574631 /nfs/dbraw/zinc/57/46/31/807574631.db2.gz NJODZKABHGWIOL-HZPDHXFCSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)C1CC[NH+](CCCOC)CC1 ZINC001172254011 808209767 /nfs/dbraw/zinc/20/97/67/808209767.db2.gz GTFGRXUILCKVAJ-UHFFFAOYSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CC[NH+](CCCOC)CC1 ZINC001172254011 808209774 /nfs/dbraw/zinc/20/97/74/808209774.db2.gz GTFGRXUILCKVAJ-UHFFFAOYSA-N 2 1 294.483 3.308 20 30 CGEDMP CC[NH+](CC)C1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001173114481 808513705 /nfs/dbraw/zinc/51/37/05/808513705.db2.gz MCGSJFQKGCIPDZ-AOLVMYGFSA-N 2 1 289.467 3.406 20 30 CGEDMP CCc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC001278038281 809112849 /nfs/dbraw/zinc/11/28/49/809112849.db2.gz YFPSHSQPILRLQO-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC001278038281 809112853 /nfs/dbraw/zinc/11/28/53/809112853.db2.gz YFPSHSQPILRLQO-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC001278038281 809112856 /nfs/dbraw/zinc/11/28/56/809112856.db2.gz YFPSHSQPILRLQO-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC001278038281 809112862 /nfs/dbraw/zinc/11/28/62/809112862.db2.gz YFPSHSQPILRLQO-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1C#N ZINC001278037921 809113217 /nfs/dbraw/zinc/11/32/17/809113217.db2.gz UPVFGQRUMWOEMH-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205627644 813033627 /nfs/dbraw/zinc/03/36/27/813033627.db2.gz RFKQQNKPGGXPIT-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@@H]1C[NH3+] ZINC001206003209 813160541 /nfs/dbraw/zinc/16/05/41/813160541.db2.gz FUTQBVQDAXYTNY-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153769 813216150 /nfs/dbraw/zinc/21/61/50/813216150.db2.gz FNGKDBVONFWEIE-OWCLPIDISA-N 2 1 266.404 3.050 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206153769 813216154 /nfs/dbraw/zinc/21/61/54/813216154.db2.gz FNGKDBVONFWEIE-OWCLPIDISA-N 2 1 266.404 3.050 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001208170122 813724545 /nfs/dbraw/zinc/72/45/45/813724545.db2.gz CWFMLBCDTRDKOX-KURKYZTESA-N 2 1 274.452 3.173 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001208170122 813724549 /nfs/dbraw/zinc/72/45/49/813724549.db2.gz CWFMLBCDTRDKOX-KURKYZTESA-N 2 1 274.452 3.173 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001208170122 813724552 /nfs/dbraw/zinc/72/45/52/813724552.db2.gz CWFMLBCDTRDKOX-KURKYZTESA-N 2 1 274.452 3.173 20 30 CGEDMP C[N@H+](C1CC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208864642 813875085 /nfs/dbraw/zinc/87/50/85/813875085.db2.gz PJPAXYUZAWUTEO-UHFFFAOYSA-N 2 1 297.446 3.049 20 30 CGEDMP C[N@@H+](C1CC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208864642 813875096 /nfs/dbraw/zinc/87/50/96/813875096.db2.gz PJPAXYUZAWUTEO-UHFFFAOYSA-N 2 1 297.446 3.049 20 30 CGEDMP N#CCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951088 813906589 /nfs/dbraw/zinc/90/65/89/813906589.db2.gz YLOQEPBLUUMWQY-IBGZPJMESA-N 2 1 297.446 3.134 20 30 CGEDMP C#CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268296 813989685 /nfs/dbraw/zinc/98/96/85/813989685.db2.gz FGRPHDLHYQIGNC-UXHICEINSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268296 813989690 /nfs/dbraw/zinc/98/96/90/813989690.db2.gz FGRPHDLHYQIGNC-UXHICEINSA-N 2 1 296.458 3.244 20 30 CGEDMP C#CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209268296 813989694 /nfs/dbraw/zinc/98/96/94/813989694.db2.gz FGRPHDLHYQIGNC-UXHICEINSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465532 816451405 /nfs/dbraw/zinc/45/14/05/816451405.db2.gz SXKPFMKRNXPJFA-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465532 816451410 /nfs/dbraw/zinc/45/14/10/816451410.db2.gz SXKPFMKRNXPJFA-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422232 819093183 /nfs/dbraw/zinc/09/31/83/819093183.db2.gz AGYGRGGHOQZKOD-HZPDHXFCSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929532 819227810 /nfs/dbraw/zinc/22/78/10/819227810.db2.gz QZEHTSJQXKPIPQ-SJORKVTESA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981086 819256552 /nfs/dbraw/zinc/25/65/52/819256552.db2.gz UKIBBLQVMZNSAA-CVEARBPZSA-N 2 1 250.430 3.326 20 30 CGEDMP CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314451 819421034 /nfs/dbraw/zinc/42/10/34/819421034.db2.gz NBEZQQLURDWIBP-IYBDPMFKSA-N 2 1 252.446 3.278 20 30 CGEDMP C=CCCCC[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457005 819485278 /nfs/dbraw/zinc/48/52/78/819485278.db2.gz IQKPWFFPCPCDFT-UHFFFAOYSA-N 2 1 252.446 3.443 20 30 CGEDMP C#CCCC[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481068 819496499 /nfs/dbraw/zinc/49/64/99/819496499.db2.gz OEEWPHOSKDNLRY-UHFFFAOYSA-N 2 1 288.410 3.102 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462661831 937657746 /nfs/dbraw/zinc/65/77/46/937657746.db2.gz CCDVLSVZWNDLPK-CAOSSQGBSA-N 2 1 250.430 3.051 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001332992418 935503065 /nfs/dbraw/zinc/50/30/65/935503065.db2.gz HBYDVCFSZKILBQ-QGZVFWFLSA-N 2 1 287.451 3.258 20 30 CGEDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505013 936265393 /nfs/dbraw/zinc/26/53/93/936265393.db2.gz YPNFHEJTSUYZPI-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505013 936265396 /nfs/dbraw/zinc/26/53/96/936265396.db2.gz YPNFHEJTSUYZPI-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP C#CCN(C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001561032981 938290662 /nfs/dbraw/zinc/29/06/62/938290662.db2.gz YSMJTGJCGLRQTL-HXUWFJFHSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001561032981 938290663 /nfs/dbraw/zinc/29/06/63/938290663.db2.gz YSMJTGJCGLRQTL-HXUWFJFHSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[N@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001561032981 938290664 /nfs/dbraw/zinc/29/06/64/938290664.db2.gz YSMJTGJCGLRQTL-HXUWFJFHSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001561032981 938290665 /nfs/dbraw/zinc/29/06/65/938290665.db2.gz YSMJTGJCGLRQTL-HXUWFJFHSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001561032981 938290666 /nfs/dbraw/zinc/29/06/66/938290666.db2.gz YSMJTGJCGLRQTL-HXUWFJFHSA-N 2 1 298.474 3.490 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCC)C2)C1 ZINC000651685689 398269006 /nfs/dbraw/zinc/26/90/06/398269006.db2.gz APSSAFKMTJUTCE-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000591582519 346929974 /nfs/dbraw/zinc/92/99/74/346929974.db2.gz YMBPCRCTDTZLPI-ZWKOTPCHSA-N 2 1 283.419 3.043 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623657411 349859670 /nfs/dbraw/zinc/85/96/70/349859670.db2.gz QBDVMVUARQMYRO-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622913 344963946 /nfs/dbraw/zinc/96/39/46/344963946.db2.gz YNYACXIKSFIFBI-MRXNPFEDSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622913 344963948 /nfs/dbraw/zinc/96/39/48/344963948.db2.gz YNYACXIKSFIFBI-MRXNPFEDSA-N 2 1 288.435 3.071 20 30 CGEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202290 /nfs/dbraw/zinc/20/22/90/347202290.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202292 /nfs/dbraw/zinc/20/22/92/347202292.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202300 /nfs/dbraw/zinc/20/23/00/347202300.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202304 /nfs/dbraw/zinc/20/23/04/347202304.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202434 /nfs/dbraw/zinc/20/24/34/347202434.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202436 /nfs/dbraw/zinc/20/24/36/347202436.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202437 /nfs/dbraw/zinc/20/24/37/347202437.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 2 1 299.462 3.260 20 30 CGEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202438 /nfs/dbraw/zinc/20/24/38/347202438.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 2 1 299.462 3.260 20 30 CGEDMP C[N@@H+](CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594507595 347182455 /nfs/dbraw/zinc/18/24/55/347182455.db2.gz OBOFXBOATPNOER-UHFFFAOYSA-N 2 1 299.462 3.452 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514732 347185066 /nfs/dbraw/zinc/18/50/66/347185066.db2.gz LCMOTHRWPMEIHR-WMLDXEAASA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514732 347185070 /nfs/dbraw/zinc/18/50/70/347185070.db2.gz LCMOTHRWPMEIHR-WMLDXEAASA-N 2 1 283.419 3.010 20 30 CGEDMP N#Cc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517215 347186622 /nfs/dbraw/zinc/18/66/22/347186622.db2.gz IHJLMYJJLISFPQ-MSOLQXFVSA-N 2 1 295.430 3.154 20 30 CGEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018499 347528294 /nfs/dbraw/zinc/52/82/94/347528294.db2.gz FKGBLIZBFPWSSO-QGZVFWFLSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018499 347528297 /nfs/dbraw/zinc/52/82/97/347528297.db2.gz FKGBLIZBFPWSSO-QGZVFWFLSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018499 347528300 /nfs/dbraw/zinc/52/83/00/347528300.db2.gz FKGBLIZBFPWSSO-QGZVFWFLSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018499 347528303 /nfs/dbraw/zinc/52/83/03/347528303.db2.gz FKGBLIZBFPWSSO-QGZVFWFLSA-N 2 1 297.446 3.015 20 30 CGEDMP C[N@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971240 347702396 /nfs/dbraw/zinc/70/23/96/347702396.db2.gz SQGGHBSOBJUFBN-IRXDYDNUSA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971240 347702398 /nfs/dbraw/zinc/70/23/98/347702398.db2.gz SQGGHBSOBJUFBN-IRXDYDNUSA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971240 347702400 /nfs/dbraw/zinc/70/24/00/347702400.db2.gz SQGGHBSOBJUFBN-IRXDYDNUSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068611 347714152 /nfs/dbraw/zinc/71/41/52/347714152.db2.gz AEENWWPTIXENEO-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068611 347714153 /nfs/dbraw/zinc/71/41/53/347714153.db2.gz AEENWWPTIXENEO-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000602020095 347933848 /nfs/dbraw/zinc/93/38/48/347933848.db2.gz HYKQWYPEPRNDOW-OCCSQVGLSA-N 2 1 289.398 3.126 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521155 347975325 /nfs/dbraw/zinc/97/53/25/347975325.db2.gz NGKREHFPBLQTDD-DLXPNOHRSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521155 347975327 /nfs/dbraw/zinc/97/53/27/347975327.db2.gz NGKREHFPBLQTDD-DLXPNOHRSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602564638 347983336 /nfs/dbraw/zinc/98/33/36/347983336.db2.gz VJMJYYQYSJXWED-LMMKCTJWSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602564638 347983339 /nfs/dbraw/zinc/98/33/39/347983339.db2.gz VJMJYYQYSJXWED-LMMKCTJWSA-N 2 1 299.462 3.426 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674087 /nfs/dbraw/zinc/67/40/87/348674087.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674089 /nfs/dbraw/zinc/67/40/89/348674089.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674092 /nfs/dbraw/zinc/67/40/92/348674092.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000628212173 350442689 /nfs/dbraw/zinc/44/26/89/350442689.db2.gz QPMPTLAOLAHHKM-HOTGVXAUSA-N 2 1 264.457 3.443 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334231087 283194163 /nfs/dbraw/zinc/19/41/63/283194163.db2.gz KWNNQAKAUSTCEI-IBGZPJMESA-N 2 1 295.430 3.152 20 30 CGEDMP C=CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH2+]CC1 ZINC000178955924 189157236 /nfs/dbraw/zinc/15/72/36/189157236.db2.gz CDLCIRZGUDBPLT-UHFFFAOYSA-N 2 1 284.856 3.389 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000119660558 370696709 /nfs/dbraw/zinc/69/67/09/370696709.db2.gz XLWFIJQUAKBMAJ-QGZVFWFLSA-N 2 1 291.483 3.370 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275639708 193093072 /nfs/dbraw/zinc/09/30/72/193093072.db2.gz SXDVFZGRKPSZFK-GJZGRUSLSA-N 2 1 261.413 3.170 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000067691482 369726102 /nfs/dbraw/zinc/72/61/02/369726102.db2.gz IFPVEMBPYFBNMZ-MRXNPFEDSA-N 2 1 285.435 3.302 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151412 /nfs/dbraw/zinc/15/14/12/370151412.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151415 /nfs/dbraw/zinc/15/14/15/370151415.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151417 /nfs/dbraw/zinc/15/14/17/370151417.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151422 /nfs/dbraw/zinc/15/14/22/370151422.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 2 1 288.435 3.166 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC000106245370 370351179 /nfs/dbraw/zinc/35/11/79/370351179.db2.gz UPAUYIUSRIPYHV-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000153001464 371742475 /nfs/dbraw/zinc/74/24/75/371742475.db2.gz PYHLWHAIWCFOME-OAHLLOKOSA-N 2 1 290.426 3.387 20 30 CGEDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499223 372070186 /nfs/dbraw/zinc/07/01/86/372070186.db2.gz IZKBHECXLHQHOC-DLBZAZTESA-N 2 1 271.408 3.116 20 30 CGEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CC#N)CC1 ZINC000430017203 372381142 /nfs/dbraw/zinc/38/11/42/372381142.db2.gz AGCCEUZOCGYSGX-UHFFFAOYSA-N 2 1 299.462 3.428 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162868434 372428323 /nfs/dbraw/zinc/42/83/23/372428323.db2.gz FVCNEOFYCHCRJT-IXDOHACOSA-N 2 1 282.472 3.210 20 30 CGEDMP C=CCC[C@H](CC)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162868303 372428704 /nfs/dbraw/zinc/42/87/04/372428704.db2.gz FVCNEOFYCHCRJT-BBWFWOEESA-N 2 1 282.472 3.210 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000439093186 372974001 /nfs/dbraw/zinc/97/40/01/372974001.db2.gz ZTFILSKGCKNSPU-SJORKVTESA-N 2 1 264.457 3.441 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442711469 373068224 /nfs/dbraw/zinc/06/82/24/373068224.db2.gz RWJOZGMKRGADCC-QFBILLFUSA-N 2 1 297.446 3.241 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442793832 373083994 /nfs/dbraw/zinc/08/39/94/373083994.db2.gz SDYPMTPWBAWCJC-OWCLPIDISA-N 2 1 277.456 3.169 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442793832 373084006 /nfs/dbraw/zinc/08/40/06/373084006.db2.gz SDYPMTPWBAWCJC-OWCLPIDISA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173398648 373136239 /nfs/dbraw/zinc/13/62/39/373136239.db2.gz FMKWDWKQNIEQDL-HNNXBMFYSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000449604038 373833508 /nfs/dbraw/zinc/83/35/08/373833508.db2.gz IVRFDSQPJUMRLJ-HZPDHXFCSA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185384801 374653855 /nfs/dbraw/zinc/65/38/55/374653855.db2.gz AJRJWERNHKBQRY-HNNXBMFYSA-N 2 1 288.435 3.392 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000193456501 375879349 /nfs/dbraw/zinc/87/93/49/375879349.db2.gz ZVPKHSCFSJVWCY-INIZCTEOSA-N 2 1 275.440 3.421 20 30 CGEDMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162843 /nfs/dbraw/zinc/16/28/43/377162843.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162848 /nfs/dbraw/zinc/16/28/48/377162848.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162852 /nfs/dbraw/zinc/16/28/52/377162852.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985510 377481129 /nfs/dbraw/zinc/48/11/29/377481129.db2.gz ILVVJCLYNHSIPI-SFHVURJKSA-N 2 1 282.431 3.187 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564985510 377481136 /nfs/dbraw/zinc/48/11/36/377481136.db2.gz ILVVJCLYNHSIPI-SFHVURJKSA-N 2 1 282.431 3.187 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249281885 377487013 /nfs/dbraw/zinc/48/70/13/377487013.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000249281885 377487015 /nfs/dbraw/zinc/48/70/15/377487015.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000249281885 377487017 /nfs/dbraw/zinc/48/70/17/377487017.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000249281885 377487022 /nfs/dbraw/zinc/48/70/22/377487022.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000578023111 378032263 /nfs/dbraw/zinc/03/22/63/378032263.db2.gz PNOHYVHSTJCNAZ-SFHVURJKSA-N 2 1 296.418 3.377 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000579915272 378207442 /nfs/dbraw/zinc/20/74/42/378207442.db2.gz PPKVXDBNQBHEML-HOTGVXAUSA-N 2 1 252.446 3.441 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274880000 378913456 /nfs/dbraw/zinc/91/34/56/378913456.db2.gz ZNMLZBMUCSYLGL-NVXWUHKLSA-N 2 1 258.409 3.063 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000414125769 380191576 /nfs/dbraw/zinc/19/15/76/380191576.db2.gz QKXAATINHOSRQR-JKSUJKDBSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354193590 380360059 /nfs/dbraw/zinc/36/00/59/380360059.db2.gz ZWWOMEZGABWLAD-MIGBEJBISA-N 2 1 270.420 3.346 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092565258 392232305 /nfs/dbraw/zinc/23/23/05/392232305.db2.gz ARVJGKNMJFFCNS-HZPDHXFCSA-N 2 1 264.457 3.443 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186245187 392779760 /nfs/dbraw/zinc/77/97/60/392779760.db2.gz BIVRLWDSYOOUTQ-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186245187 392779765 /nfs/dbraw/zinc/77/97/65/392779765.db2.gz BIVRLWDSYOOUTQ-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404581343 392968134 /nfs/dbraw/zinc/96/81/34/392968134.db2.gz GFMRDNDBMALZLH-CJNGLKHVSA-N 2 1 289.398 3.098 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719914 287132057 /nfs/dbraw/zinc/13/20/57/287132057.db2.gz XLMRVEDIVRJCOO-FUHWJXTLSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719914 287132058 /nfs/dbraw/zinc/13/20/58/287132058.db2.gz XLMRVEDIVRJCOO-FUHWJXTLSA-N 2 1 297.446 3.427 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657835871 419379635 /nfs/dbraw/zinc/37/96/35/419379635.db2.gz RNEYCSXAYSTWSD-UXLLHSPISA-N 2 1 262.441 3.195 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174855362 261200196 /nfs/dbraw/zinc/20/01/96/261200196.db2.gz AEJUCLSNTZTVDA-UHFFFAOYSA-N 2 1 265.445 3.123 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361459627 261278852 /nfs/dbraw/zinc/27/88/52/261278852.db2.gz NNTXRFVWSGJVOY-IKGGRYGDSA-N 2 1 277.456 3.313 20 30 CGEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000277340333 328221080 /nfs/dbraw/zinc/22/10/80/328221080.db2.gz WBJRYIRNROAWQY-KRWDZBQOSA-N 2 1 299.462 3.404 20 30 CGEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340292731 328253328 /nfs/dbraw/zinc/25/33/28/328253328.db2.gz YRUSGWSXUQWZPE-SJORKVTESA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340292731 328253329 /nfs/dbraw/zinc/25/33/29/328253329.db2.gz YRUSGWSXUQWZPE-SJORKVTESA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000120987726 328365304 /nfs/dbraw/zinc/36/53/04/328365304.db2.gz NUOQUFYKDRLJKY-XJKSGUPXSA-N 2 1 261.413 3.162 20 30 CGEDMP C[C@H]1CCC[C@](C[NH2+][C@@H]2CCC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000185793505 329332176 /nfs/dbraw/zinc/33/21/76/329332176.db2.gz GTHMGETYNDEVSE-NXOAAHMSSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685372 329249299 /nfs/dbraw/zinc/24/92/99/329249299.db2.gz BJSRBECQEHZRKY-KDOFPFPSSA-N 2 1 299.418 3.158 20 30 CGEDMP C=C(C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000423024010 330165992 /nfs/dbraw/zinc/16/59/92/330165992.db2.gz IKEOWDVYIDAMJB-APWZRJJASA-N 2 1 280.415 3.248 20 30 CGEDMP C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423136658 330172064 /nfs/dbraw/zinc/17/20/64/330172064.db2.gz VNNVFXAIXVJDMA-HYVNUMGLSA-N 2 1 271.408 3.152 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000527922804 330295906 /nfs/dbraw/zinc/29/59/06/330295906.db2.gz AXPMZZWHAAHRQB-SJORKVTESA-N 2 1 296.499 3.315 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185221785 333137056 /nfs/dbraw/zinc/13/70/56/333137056.db2.gz GKWKTBRYTJMXIV-IRXDYDNUSA-N 2 1 294.483 3.209 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234328955 333359614 /nfs/dbraw/zinc/35/96/14/333359614.db2.gz HOXCHZMKYFFQOR-CVEARBPZSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234328955 333359615 /nfs/dbraw/zinc/35/96/15/333359615.db2.gz HOXCHZMKYFFQOR-CVEARBPZSA-N 2 1 277.456 3.123 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000550857464 334230541 /nfs/dbraw/zinc/23/05/41/334230541.db2.gz TYPHFBORXQOQFP-KFWWJZLASA-N 2 1 250.430 3.051 20 30 CGEDMP C=CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249264770 334330644 /nfs/dbraw/zinc/33/06/44/334330644.db2.gz IJXOFUGBPIQVDD-VQFNDLOPSA-N 2 1 272.436 3.309 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859901 526036134 /nfs/dbraw/zinc/03/61/34/526036134.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859901 526036145 /nfs/dbraw/zinc/03/61/45/526036145.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075859901 526036155 /nfs/dbraw/zinc/03/61/55/526036155.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075859901 526036165 /nfs/dbraw/zinc/03/61/65/526036165.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924958241 619461532 /nfs/dbraw/zinc/46/15/32/619461532.db2.gz DMCCAAVKLYLWNN-HUUCEWRRSA-N 2 1 265.445 3.025 20 30 CGEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903476239 621764321 /nfs/dbraw/zinc/76/43/21/621764321.db2.gz RJZKBFWHYLWINP-DQPZFDDXSA-N 2 1 277.456 3.013 20 30 CGEDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713592 621798153 /nfs/dbraw/zinc/79/81/53/621798153.db2.gz XBMWEVNTCXSJKZ-CABCVRRESA-N 2 1 263.429 3.052 20 30 CGEDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713592 621798156 /nfs/dbraw/zinc/79/81/56/621798156.db2.gz XBMWEVNTCXSJKZ-CABCVRRESA-N 2 1 263.429 3.052 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685510 626767763 /nfs/dbraw/zinc/76/77/63/626767763.db2.gz XMDFREPYEDCAGA-QRQLOZEOSA-N 2 1 284.447 3.287 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685510 626767769 /nfs/dbraw/zinc/76/77/69/626767769.db2.gz XMDFREPYEDCAGA-QRQLOZEOSA-N 2 1 284.447 3.287 20 30 CGEDMP c1cnn([NH+]=C2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164621 629487647 /nfs/dbraw/zinc/48/76/47/629487647.db2.gz PYPNSFZXQZTKIE-DLBZAZTESA-N 2 1 294.402 3.019 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000815652488 631814385 /nfs/dbraw/zinc/81/43/85/631814385.db2.gz FKIQZZLBWCDPCV-MOPGFXCFSA-N 2 1 284.447 3.176 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000815652488 631814388 /nfs/dbraw/zinc/81/43/88/631814388.db2.gz FKIQZZLBWCDPCV-MOPGFXCFSA-N 2 1 284.447 3.176 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000817979723 632269891 /nfs/dbraw/zinc/26/98/91/632269891.db2.gz NSLYYNVLSHSYFR-OCCSQVGLSA-N 2 1 282.815 3.206 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834607561 634197232 /nfs/dbraw/zinc/19/72/32/634197232.db2.gz ZBWXMRDGOXOVOZ-XUVXKRRUSA-N 2 1 296.458 3.433 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877070843 634971806 /nfs/dbraw/zinc/97/18/06/634971806.db2.gz XDXZKTKFOYKSPZ-HKUYNNGSSA-N 2 1 282.431 3.358 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877070843 634971812 /nfs/dbraw/zinc/97/18/12/634971812.db2.gz XDXZKTKFOYKSPZ-HKUYNNGSSA-N 2 1 282.431 3.358 20 30 CGEDMP CC(C)(C#N)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950546 635885767 /nfs/dbraw/zinc/88/57/67/635885767.db2.gz URQRFGTXHWEFQD-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CC[N@H+](CCCCCC[NH3+])Cc1cccs1 ZINC000846218575 636160949 /nfs/dbraw/zinc/16/09/49/636160949.db2.gz YVUWXXCYPQERTR-UHFFFAOYSA-N 2 1 252.427 3.255 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883187265 636572477 /nfs/dbraw/zinc/57/24/77/636572477.db2.gz KIUDDZKWMNTRMF-INIZCTEOSA-N 2 1 262.441 3.339 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000929470842 638926914 /nfs/dbraw/zinc/92/69/14/638926914.db2.gz PXVUJNOVTQXTGO-UHFFFAOYSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929778617 638949868 /nfs/dbraw/zinc/94/98/68/638949868.db2.gz JMLVXVZLZZISRW-UHFFFAOYSA-N 2 1 285.435 3.091 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929778617 638949869 /nfs/dbraw/zinc/94/98/69/638949869.db2.gz JMLVXVZLZZISRW-UHFFFAOYSA-N 2 1 285.435 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848344 638957059 /nfs/dbraw/zinc/95/70/59/638957059.db2.gz QYYFJZVXULXCBR-IEBWSBKVSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848344 638957061 /nfs/dbraw/zinc/95/70/61/638957061.db2.gz QYYFJZVXULXCBR-IEBWSBKVSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848344 638957063 /nfs/dbraw/zinc/95/70/63/638957063.db2.gz QYYFJZVXULXCBR-IEBWSBKVSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1CC#N ZINC001156924892 805753542 /nfs/dbraw/zinc/75/35/42/805753542.db2.gz AMEQTCHYVBPYDI-AWEZNQCLSA-N 2 1 286.423 3.133 20 30 CGEDMP Cc1[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)ccc1CC#N ZINC001156924892 805753550 /nfs/dbraw/zinc/75/35/50/805753550.db2.gz AMEQTCHYVBPYDI-AWEZNQCLSA-N 2 1 286.423 3.133 20 30 CGEDMP Cc1[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1CC#N ZINC001156924892 805753555 /nfs/dbraw/zinc/75/35/55/805753555.db2.gz AMEQTCHYVBPYDI-AWEZNQCLSA-N 2 1 286.423 3.133 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254655287 806476618 /nfs/dbraw/zinc/47/66/18/806476618.db2.gz CQICYENHXVJAPK-MUIFIZLQSA-N 2 1 275.440 3.193 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379650053 799352091 /nfs/dbraw/zinc/35/20/91/799352091.db2.gz QOXOXPHPIHJFGC-FUHWJXTLSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379650053 799352102 /nfs/dbraw/zinc/35/21/02/799352102.db2.gz QOXOXPHPIHJFGC-FUHWJXTLSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000392879241 799483104 /nfs/dbraw/zinc/48/31/04/799483104.db2.gz RHTZSXNPMUDVSI-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000392879241 799483108 /nfs/dbraw/zinc/48/31/08/799483108.db2.gz RHTZSXNPMUDVSI-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000695837319 799835464 /nfs/dbraw/zinc/83/54/64/799835464.db2.gz QPKWLIVVJGUAKM-HUUCEWRRSA-N 2 1 265.445 3.169 20 30 CGEDMP CCCCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC000724110330 800355366 /nfs/dbraw/zinc/35/53/66/800355366.db2.gz GBJXWAONQDIGQI-UHFFFAOYSA-N 2 1 252.446 3.422 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH+]1CC(C)(C[NH3+])C1 ZINC001246036247 804101998 /nfs/dbraw/zinc/10/19/98/804101998.db2.gz SDCDNXVGAHQAOL-MRXNPFEDSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246042672 804103036 /nfs/dbraw/zinc/10/30/36/804103036.db2.gz CYEBBLVQJQOXNF-ROUUACIJSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)C1CC[NH2+]CC1 ZINC001246059032 804104227 /nfs/dbraw/zinc/10/42/27/804104227.db2.gz XPOARYZVQDCVPL-QGZVFWFLSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246066809 804106857 /nfs/dbraw/zinc/10/68/57/804106857.db2.gz RSGJRXRMGPKENH-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246066809 804106858 /nfs/dbraw/zinc/10/68/58/804106858.db2.gz RSGJRXRMGPKENH-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246069530 804108708 /nfs/dbraw/zinc/10/87/08/804108708.db2.gz NTBZMNKNPOJIEJ-QZTJIDSGSA-N 2 1 296.499 3.336 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246069530 804108712 /nfs/dbraw/zinc/10/87/12/804108712.db2.gz NTBZMNKNPOJIEJ-QZTJIDSGSA-N 2 1 296.499 3.336 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001246068610 804108784 /nfs/dbraw/zinc/10/87/84/804108784.db2.gz WFIINFKXRBQJSM-BBWFWOEESA-N 2 1 282.472 3.076 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246283417 804257521 /nfs/dbraw/zinc/25/75/21/804257521.db2.gz BQTNKWLHIZIEDR-NVXWUHKLSA-N 2 1 276.399 3.483 20 30 CGEDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246539053 804388581 /nfs/dbraw/zinc/38/85/81/804388581.db2.gz AICMZEIFXVLMOG-BARLLCKDSA-N 2 1 297.446 3.202 20 30 CGEDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246539053 804388588 /nfs/dbraw/zinc/38/85/88/804388588.db2.gz AICMZEIFXVLMOG-BARLLCKDSA-N 2 1 297.446 3.202 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564946 804414086 /nfs/dbraw/zinc/41/40/86/804414086.db2.gz XUMOTVUFWGGFBU-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246564943 804414253 /nfs/dbraw/zinc/41/42/53/804414253.db2.gz XUMOTVUFWGGFBU-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](C[NH3+])[C@H]3C)C[C@H](C1)C2 ZINC001246568149 804415543 /nfs/dbraw/zinc/41/55/43/804415543.db2.gz ZQZPKOCSVQNEPI-VDWCLKJHSA-N 2 1 262.441 3.181 20 30 CGEDMP CCCC[N@@H+](CCC#N)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246768688 804502661 /nfs/dbraw/zinc/50/26/61/804502661.db2.gz GGZFQZCZOPNBGR-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246816661 804531480 /nfs/dbraw/zinc/53/14/80/804531480.db2.gz KVWIYUFNJRMFIA-YZGWKJHDSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246816661 804531484 /nfs/dbraw/zinc/53/14/84/804531484.db2.gz KVWIYUFNJRMFIA-YZGWKJHDSA-N 2 1 296.458 3.386 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839927 804547815 /nfs/dbraw/zinc/54/78/15/804547815.db2.gz LOWBQPSIAVSKJH-MSOLQXFVSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839927 804547822 /nfs/dbraw/zinc/54/78/22/804547822.db2.gz LOWBQPSIAVSKJH-MSOLQXFVSA-N 2 1 272.436 3.451 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@]4([NH3+])C3)CC2)cc1 ZINC001246862749 804566937 /nfs/dbraw/zinc/56/69/37/804566937.db2.gz RCKNZRUIQFBQKF-CHPDAQJUSA-N 2 1 295.430 3.008 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001247015653 804642781 /nfs/dbraw/zinc/64/27/81/804642781.db2.gz PJUCTRRUASINRA-OAHLLOKOSA-N 2 1 270.420 3.436 20 30 CGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430567 805149024 /nfs/dbraw/zinc/14/90/24/805149024.db2.gz YBCIIMZLGJXNFH-UHFFFAOYSA-N 2 1 298.434 3.203 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430567 805149029 /nfs/dbraw/zinc/14/90/29/805149029.db2.gz YBCIIMZLGJXNFH-UHFFFAOYSA-N 2 1 298.434 3.203 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)CC3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257893433 807243765 /nfs/dbraw/zinc/24/37/65/807243765.db2.gz RLKMBBYVLILNDT-JWTNVVGKSA-N 2 1 276.468 3.395 20 30 CGEDMP C=CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022503 807300767 /nfs/dbraw/zinc/30/07/67/807300767.db2.gz SMUZZWGMWMSTII-SCAQPMJSSA-N 2 1 258.409 3.204 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]CC#CC(C)(C)C)CC1(C)C ZINC001171625122 808106243 /nfs/dbraw/zinc/10/62/43/808106243.db2.gz CTZCVFZXSQZJNH-UHFFFAOYSA-N 2 1 264.457 3.277 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979678 808163057 /nfs/dbraw/zinc/16/30/57/808163057.db2.gz QBSRSAKZLBHFCM-DOTOQJQBSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979678 808163058 /nfs/dbraw/zinc/16/30/58/808163058.db2.gz QBSRSAKZLBHFCM-DOTOQJQBSA-N 2 1 270.420 3.041 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172301115 808220986 /nfs/dbraw/zinc/22/09/86/808220986.db2.gz KPDBHUPEYSENBB-DQEVTTJGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172301115 808220991 /nfs/dbraw/zinc/22/09/91/808220991.db2.gz KPDBHUPEYSENBB-DQEVTTJGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325299 808612569 /nfs/dbraw/zinc/61/25/69/808612569.db2.gz GYRBDONBLXMVRW-OQSMONGASA-N 2 1 291.483 3.416 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001177132271 809782345 /nfs/dbraw/zinc/78/23/45/809782345.db2.gz FCLVRFDJYLSWIR-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131380 812880956 /nfs/dbraw/zinc/88/09/56/812880956.db2.gz WSYXCVOXJCGSHQ-DMGQIGSTSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C[NH3+] ZINC001205638985 813038442 /nfs/dbraw/zinc/03/84/42/813038442.db2.gz UGSGTQXHZPBTIO-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012108 813165475 /nfs/dbraw/zinc/16/54/75/813165475.db2.gz IWICWMCCRVQQRZ-WBVHZDCISA-N 2 1 288.435 3.058 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768729 813429871 /nfs/dbraw/zinc/42/98/71/813429871.db2.gz LVGAXQRGZJMZAT-HZPDHXFCSA-N 2 1 288.435 3.201 20 30 CGEDMP C#CC[N@@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001207285766 813535487 /nfs/dbraw/zinc/53/54/87/813535487.db2.gz OACINPOLXAVLGX-GOSISDBHSA-N 2 1 284.447 3.197 20 30 CGEDMP C#CC[N@H+](CC(C)(C)C[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001207285766 813535488 /nfs/dbraw/zinc/53/54/88/813535488.db2.gz OACINPOLXAVLGX-GOSISDBHSA-N 2 1 284.447 3.197 20 30 CGEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001208618020 813776556 /nfs/dbraw/zinc/77/65/56/813776556.db2.gz QFTPBEXEDMQUMB-HXUWFJFHSA-N 2 1 296.458 3.092 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385325 816426427 /nfs/dbraw/zinc/42/64/27/816426427.db2.gz JUZYJLIMPWCUKE-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385325 816426434 /nfs/dbraw/zinc/42/64/34/816426434.db2.gz JUZYJLIMPWCUKE-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422612 816441308 /nfs/dbraw/zinc/44/13/08/816441308.db2.gz VQUSSEMBVSQEED-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422612 816441313 /nfs/dbraw/zinc/44/13/13/816441313.db2.gz VQUSSEMBVSQEED-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001232015145 818233483 /nfs/dbraw/zinc/23/34/83/818233483.db2.gz BPSZAQZSNSSJQM-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033226 818983923 /nfs/dbraw/zinc/98/39/23/818983923.db2.gz VSUQRYPJRSYFHS-INIZCTEOSA-N 2 1 250.430 3.198 20 30 CGEDMP CCCCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038200 818987033 /nfs/dbraw/zinc/98/70/33/818987033.db2.gz USZCKGPMQOWJQH-IAGOWNOFSA-N 2 1 282.472 3.047 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037444 818987085 /nfs/dbraw/zinc/98/70/85/818987085.db2.gz GDWSRWKMHKMODG-IBGZPJMESA-N 2 1 297.446 3.229 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160754 819019714 /nfs/dbraw/zinc/01/97/14/819019714.db2.gz QOHOKPSLQAVQPM-IBGZPJMESA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166810 819021193 /nfs/dbraw/zinc/02/11/93/819021193.db2.gz WBGPSQQWLKAKKS-JKSUJKDBSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166810 819021196 /nfs/dbraw/zinc/02/11/96/819021196.db2.gz WBGPSQQWLKAKKS-JKSUJKDBSA-N 2 1 250.430 3.326 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225913 819040769 /nfs/dbraw/zinc/04/07/69/819040769.db2.gz WDRGYJYGXWFRIC-KBPBESRZSA-N 2 1 292.389 3.431 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423356 819092750 /nfs/dbraw/zinc/09/27/50/819092750.db2.gz GCIVOCKCAYPEDC-PKOBYXMFSA-N 2 1 297.446 3.078 20 30 CGEDMP C[N@@H+](CCC[NH3+])Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001235435409 819097419 /nfs/dbraw/zinc/09/74/19/819097419.db2.gz MRDJGMBDUZCWII-UHFFFAOYSA-N 2 1 295.386 3.131 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC([NH2+]CC)CC2)CC1 ZINC001235723861 819151324 /nfs/dbraw/zinc/15/13/24/819151324.db2.gz DBAOJBVFNGMFJS-MRXNPFEDSA-N 2 1 262.441 3.363 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C[NH3+])c1 ZINC001235963769 819252628 /nfs/dbraw/zinc/25/26/28/819252628.db2.gz ZZUUGLVLTNRZPG-UHFFFAOYSA-N 2 1 266.388 3.334 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001236211078 819372082 /nfs/dbraw/zinc/37/20/82/819372082.db2.gz GXBOAKGXCWGRNL-BRWVUGGUSA-N 2 1 262.441 3.491 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001236211078 819372088 /nfs/dbraw/zinc/37/20/88/819372088.db2.gz GXBOAKGXCWGRNL-BRWVUGGUSA-N 2 1 262.441 3.491 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)CC[C@H]1C[NH2+]CCO1 ZINC001236424664 819471663 /nfs/dbraw/zinc/47/16/63/819471663.db2.gz VISCOYCCFQTHCH-KRWDZBQOSA-N 2 1 284.488 3.437 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001236434767 819478269 /nfs/dbraw/zinc/47/82/69/819478269.db2.gz WWQIXKAJHFSJFC-HNNXBMFYSA-N 2 1 250.430 3.197 20 30 CGEDMP C#CCCC[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236726189 819583549 /nfs/dbraw/zinc/58/35/49/819583549.db2.gz GUTXJXPCWWFDOX-WGSAOQKQSA-N 2 1 284.447 3.480 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)c1 ZINC001236842197 819618061 /nfs/dbraw/zinc/61/80/61/819618061.db2.gz BSSOBZWDFMUBNB-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755500 819837102 /nfs/dbraw/zinc/83/71/02/819837102.db2.gz PZZWCMLWHGSJEC-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755500 819837109 /nfs/dbraw/zinc/83/71/09/819837109.db2.gz PZZWCMLWHGSJEC-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171204428 928200496 /nfs/dbraw/zinc/20/04/96/928200496.db2.gz XRYMRVIFGLNDRI-FRQCXROJSA-N 2 1 299.462 3.198 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC001461614796 937588650 /nfs/dbraw/zinc/58/86/50/937588650.db2.gz BEGJQMOKIHXBNF-CVEARBPZSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC001473993194 937833962 /nfs/dbraw/zinc/83/39/62/937833962.db2.gz WVRZKQAYZZUXMM-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC001473993194 937833964 /nfs/dbraw/zinc/83/39/64/937833964.db2.gz WVRZKQAYZZUXMM-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001574836187 962325800 /nfs/dbraw/zinc/32/58/00/962325800.db2.gz KATLWOQORHDHNQ-DLBZAZTESA-N 2 1 258.409 3.192 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CCC)C2)C1 ZINC000651685688 398269161 /nfs/dbraw/zinc/26/91/61/398269161.db2.gz APSSAFKMTJUTCE-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000651725466 398276300 /nfs/dbraw/zinc/27/63/00/398276300.db2.gz DYOUCOABLBMDDC-DQIHPLBOSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000651725466 398276303 /nfs/dbraw/zinc/27/63/03/398276303.db2.gz DYOUCOABLBMDDC-DQIHPLBOSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000651830084 398295255 /nfs/dbraw/zinc/29/52/55/398295255.db2.gz ZQWHJMAHMRUQJQ-PMPSAXMXSA-N 2 1 250.430 3.053 20 30 CGEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591245151 346911576 /nfs/dbraw/zinc/91/15/76/346911576.db2.gz VHMVEZXHCHSWFC-DNVCBOLYSA-N 2 1 297.446 3.257 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623657412 349859777 /nfs/dbraw/zinc/85/97/77/349859777.db2.gz QBDVMVUARQMYRO-OWCLPIDISA-N 2 1 250.430 3.053 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635601 345716284 /nfs/dbraw/zinc/71/62/84/345716284.db2.gz OTFSAGNPBAERDH-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635601 345716286 /nfs/dbraw/zinc/71/62/86/345716286.db2.gz OTFSAGNPBAERDH-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635601 345716287 /nfs/dbraw/zinc/71/62/87/345716287.db2.gz OTFSAGNPBAERDH-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635601 345716289 /nfs/dbraw/zinc/71/62/89/345716289.db2.gz OTFSAGNPBAERDH-MAUKXSAKSA-N 2 1 297.446 3.283 20 30 CGEDMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000093770290 345886344 /nfs/dbraw/zinc/88/63/44/345886344.db2.gz CDSFXLDHBYJGCP-MRXNPFEDSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000093770290 345886349 /nfs/dbraw/zinc/88/63/49/345886349.db2.gz CDSFXLDHBYJGCP-MRXNPFEDSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770290 345886353 /nfs/dbraw/zinc/88/63/53/345886353.db2.gz CDSFXLDHBYJGCP-MRXNPFEDSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000093770290 345886357 /nfs/dbraw/zinc/88/63/57/345886357.db2.gz CDSFXLDHBYJGCP-MRXNPFEDSA-N 2 1 288.435 3.025 20 30 CGEDMP N#Cc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517217 347186744 /nfs/dbraw/zinc/18/67/44/347186744.db2.gz IHJLMYJJLISFPQ-ROUUACIJSA-N 2 1 295.430 3.154 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000596654274 347499316 /nfs/dbraw/zinc/49/93/16/347499316.db2.gz ZVZFGPQMWWYWTP-BRWVUGGUSA-N 2 1 289.467 3.361 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982836 347703755 /nfs/dbraw/zinc/70/37/55/347703755.db2.gz QDIUJRKJEKGTEZ-FUHWJXTLSA-N 2 1 297.446 3.398 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736702 /nfs/dbraw/zinc/73/67/02/347736702.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736706 /nfs/dbraw/zinc/73/67/06/347736706.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736709 /nfs/dbraw/zinc/73/67/09/347736709.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601289550 347889470 /nfs/dbraw/zinc/88/94/70/347889470.db2.gz OOLYVHQEUKAQSC-OQIJWPOYSA-N 2 1 297.446 3.036 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121043 349978991 /nfs/dbraw/zinc/97/89/91/349978991.db2.gz MNMZJHAEICUMGU-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@@H]1C[C@@H](N(C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933711 188288887 /nfs/dbraw/zinc/28/88/87/188288887.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933711 188288889 /nfs/dbraw/zinc/28/88/89/188288889.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933711 188288891 /nfs/dbraw/zinc/28/88/91/188288891.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933711 188288892 /nfs/dbraw/zinc/28/88/92/188288892.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933711 188288894 /nfs/dbraw/zinc/28/88/94/188288894.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 2 1 285.435 3.275 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699856 189304304 /nfs/dbraw/zinc/30/43/04/189304304.db2.gz MYUFMWTXMDHLHQ-RDJZCZTQSA-N 2 1 285.435 3.329 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000153011374 371744310 /nfs/dbraw/zinc/74/43/10/371744310.db2.gz LTRQXWPRVXQXIH-HUUCEWRRSA-N 2 1 264.457 3.441 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159317321 372130554 /nfs/dbraw/zinc/13/05/54/372130554.db2.gz MJJSCNWTVUFDNU-MOPGFXCFSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159317321 372130562 /nfs/dbraw/zinc/13/05/62/372130562.db2.gz MJJSCNWTVUFDNU-MOPGFXCFSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159317321 372130569 /nfs/dbraw/zinc/13/05/69/372130569.db2.gz MJJSCNWTVUFDNU-MOPGFXCFSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159317321 372130577 /nfs/dbraw/zinc/13/05/77/372130577.db2.gz MJJSCNWTVUFDNU-MOPGFXCFSA-N 2 1 297.446 3.277 20 30 CGEDMP C=CC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000428368964 372184713 /nfs/dbraw/zinc/18/47/13/372184713.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C=CC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000428368964 372184720 /nfs/dbraw/zinc/18/47/20/372184720.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C=CC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000428368964 372184727 /nfs/dbraw/zinc/18/47/27/372184727.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C=CC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000428368964 372184737 /nfs/dbraw/zinc/18/47/37/372184737.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)C1CC1 ZINC000439072886 372972895 /nfs/dbraw/zinc/97/28/95/372972895.db2.gz AIDLGOAWNVPXIH-OAHLLOKOSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000442690093 373064331 /nfs/dbraw/zinc/06/43/31/373064331.db2.gz VKAQRYUFQZZWEY-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000442690093 373064340 /nfs/dbraw/zinc/06/43/40/373064340.db2.gz VKAQRYUFQZZWEY-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000442690093 373064352 /nfs/dbraw/zinc/06/43/52/373064352.db2.gz VKAQRYUFQZZWEY-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690093 373064361 /nfs/dbraw/zinc/06/43/61/373064361.db2.gz VKAQRYUFQZZWEY-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442722663 373069514 /nfs/dbraw/zinc/06/95/14/373069514.db2.gz XXYBOFCHALXAKO-QKPAOTATSA-N 2 1 277.456 3.025 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449077457 373659704 /nfs/dbraw/zinc/65/97/04/373659704.db2.gz RUNJYQKFRSLKAR-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449284179 373677124 /nfs/dbraw/zinc/67/71/24/373677124.db2.gz OGALMDGZZANMTD-DLBZAZTESA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449284179 373677130 /nfs/dbraw/zinc/67/71/30/373677130.db2.gz OGALMDGZZANMTD-DLBZAZTESA-N 2 1 282.472 3.212 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705800 375077697 /nfs/dbraw/zinc/07/76/97/375077697.db2.gz CTOZZHCFGUCHFU-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705800 375077703 /nfs/dbraw/zinc/07/77/03/375077703.db2.gz CTOZZHCFGUCHFU-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705800 375077708 /nfs/dbraw/zinc/07/77/08/375077708.db2.gz CTOZZHCFGUCHFU-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705800 375077714 /nfs/dbraw/zinc/07/77/14/375077714.db2.gz CTOZZHCFGUCHFU-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335052165 375092881 /nfs/dbraw/zinc/09/28/81/375092881.db2.gz IAEVIZYZMYPPEV-LJQANCHMSA-N 2 1 295.430 3.152 20 30 CGEDMP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000562862912 377366786 /nfs/dbraw/zinc/36/67/86/377366786.db2.gz YNPJCAPADWLMPG-QGZVFWFLSA-N 2 1 264.457 3.397 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959287 377481374 /nfs/dbraw/zinc/48/13/74/377481374.db2.gz RQAHTVWASVCGNH-KRWDZBQOSA-N 2 1 283.419 3.077 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959287 377481381 /nfs/dbraw/zinc/48/13/81/377481381.db2.gz RQAHTVWASVCGNH-KRWDZBQOSA-N 2 1 283.419 3.077 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000269407509 378217699 /nfs/dbraw/zinc/21/76/99/378217699.db2.gz IGJPCVKPGICECG-QGZVFWFLSA-N 2 1 269.392 3.489 20 30 CGEDMP C=CCC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106662 378225639 /nfs/dbraw/zinc/22/56/39/378225639.db2.gz AYDDIIXCLWMPHE-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccco1 ZINC000580106662 378225643 /nfs/dbraw/zinc/22/56/43/378225643.db2.gz AYDDIIXCLWMPHE-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000580106662 378225648 /nfs/dbraw/zinc/22/56/48/378225648.db2.gz AYDDIIXCLWMPHE-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106662 378225652 /nfs/dbraw/zinc/22/56/52/378225652.db2.gz AYDDIIXCLWMPHE-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504621 378401592 /nfs/dbraw/zinc/40/15/92/378401592.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504621 378401596 /nfs/dbraw/zinc/40/15/96/378401596.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504621 378401600 /nfs/dbraw/zinc/40/16/00/378401600.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504621 378401604 /nfs/dbraw/zinc/40/16/04/378401604.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)c(F)c1 ZINC000271919642 378517866 /nfs/dbraw/zinc/51/78/66/378517866.db2.gz DJCXKNCSRXTTLA-VBNZEHGJSA-N 2 1 289.398 3.221 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349387381 379263398 /nfs/dbraw/zinc/26/33/98/379263398.db2.gz VFUJBXIIHIFIBN-UHFFFAOYSA-N 2 1 273.424 3.030 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000351435522 379722438 /nfs/dbraw/zinc/72/24/38/379722438.db2.gz YEKVJKWULHGKOP-GVDBMIGSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000351435522 379722443 /nfs/dbraw/zinc/72/24/43/379722443.db2.gz YEKVJKWULHGKOP-GVDBMIGSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000351435522 379722449 /nfs/dbraw/zinc/72/24/49/379722449.db2.gz YEKVJKWULHGKOP-GVDBMIGSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351435522 379722461 /nfs/dbraw/zinc/72/24/61/379722461.db2.gz YEKVJKWULHGKOP-GVDBMIGSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414163948 380196131 /nfs/dbraw/zinc/19/61/31/380196131.db2.gz JNZXJARGHLVSMA-AEFFLSMTSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693922 392990031 /nfs/dbraw/zinc/99/00/31/392990031.db2.gz HQSKJOMEOYNEFJ-MZMPZRCHSA-N 2 1 283.419 3.008 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693922 392990037 /nfs/dbraw/zinc/99/00/37/392990037.db2.gz HQSKJOMEOYNEFJ-MZMPZRCHSA-N 2 1 283.419 3.008 20 30 CGEDMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443989852 393780137 /nfs/dbraw/zinc/78/01/37/393780137.db2.gz RZGBHYAPRHJGFE-INIZCTEOSA-N 2 1 299.462 3.468 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000449605126 393917982 /nfs/dbraw/zinc/91/79/82/393917982.db2.gz MCFMXMKHHMCURA-HOTGVXAUSA-N 2 1 262.441 3.339 20 30 CGEDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419376 394241019 /nfs/dbraw/zinc/24/10/19/394241019.db2.gz YYDSALXZYFXRLC-CYBMUJFWSA-N 2 1 289.398 3.222 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662298325 419388107 /nfs/dbraw/zinc/38/81/07/419388107.db2.gz BFIGGHQCVWCLRP-NVXWUHKLSA-N 2 1 288.435 3.026 20 30 CGEDMP N#CCCCC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000180163593 261843600 /nfs/dbraw/zinc/84/36/00/261843600.db2.gz LBKWXSMZWFVPFN-QRVBRYPASA-N 2 1 297.446 3.180 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088943 262007747 /nfs/dbraw/zinc/00/77/47/262007747.db2.gz DVBORSGEXKXQMJ-VJANTYMQSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088943 262007748 /nfs/dbraw/zinc/00/77/48/262007748.db2.gz DVBORSGEXKXQMJ-VJANTYMQSA-N 2 1 297.446 3.179 20 30 CGEDMP N#C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000185770001 262069698 /nfs/dbraw/zinc/06/96/98/262069698.db2.gz GYGZMEDSXARUOW-QFBILLFUSA-N 2 1 297.446 3.107 20 30 CGEDMP N#C[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000185770001 262069699 /nfs/dbraw/zinc/06/96/99/262069699.db2.gz GYGZMEDSXARUOW-QFBILLFUSA-N 2 1 297.446 3.107 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414687807 263032655 /nfs/dbraw/zinc/03/26/55/263032655.db2.gz IFLXBUHDKLETKW-WMZOPIPTSA-N 2 1 272.436 3.105 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000340226092 263098000 /nfs/dbraw/zinc/09/80/00/263098000.db2.gz BLUBYAHLDIDLPC-IRXDYDNUSA-N 2 1 271.408 3.105 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000340226092 263098001 /nfs/dbraw/zinc/09/80/01/263098001.db2.gz BLUBYAHLDIDLPC-IRXDYDNUSA-N 2 1 271.408 3.105 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Cl ZINC000415061589 263259084 /nfs/dbraw/zinc/25/90/84/263259084.db2.gz YSBPPNIWXIEVQL-OAHLLOKOSA-N 2 1 296.842 3.368 20 30 CGEDMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205648 278348427 /nfs/dbraw/zinc/34/84/27/278348427.db2.gz LOZMUVUEGLFARY-RHSMWYFYSA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C#N)cc1 ZINC000227537146 290030269 /nfs/dbraw/zinc/03/02/69/290030269.db2.gz LLMYSFZEXDTGSE-JBBXEZCESA-N 2 1 277.371 3.354 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292883213 290222131 /nfs/dbraw/zinc/22/21/31/290222131.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292883213 290222134 /nfs/dbraw/zinc/22/21/34/290222134.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292883213 290222136 /nfs/dbraw/zinc/22/21/36/290222136.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292883213 290222138 /nfs/dbraw/zinc/22/21/38/290222138.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336703089 328130050 /nfs/dbraw/zinc/13/00/50/328130050.db2.gz FVFAWITVZXRGLS-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336703089 328130051 /nfs/dbraw/zinc/13/00/51/328130051.db2.gz FVFAWITVZXRGLS-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336703089 328130053 /nfs/dbraw/zinc/13/00/53/328130053.db2.gz FVFAWITVZXRGLS-QZTJIDSGSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449120463 330900052 /nfs/dbraw/zinc/90/00/52/330900052.db2.gz DBQBFTXPMIJUTQ-BFYDXBDKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000491543298 332233752 /nfs/dbraw/zinc/23/37/52/332233752.db2.gz GKZRQMQCTRQTKZ-ZDUSSCGKSA-N 2 1 296.842 3.192 20 30 CGEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789943 333049431 /nfs/dbraw/zinc/04/94/31/333049431.db2.gz OIUZWQSGKNUJRC-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859902 526043997 /nfs/dbraw/zinc/04/39/97/526043997.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859902 526044003 /nfs/dbraw/zinc/04/40/03/526044003.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075859902 526044013 /nfs/dbraw/zinc/04/40/13/526044013.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075859902 526044019 /nfs/dbraw/zinc/04/40/19/526044019.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658335 572330191 /nfs/dbraw/zinc/33/01/91/572330191.db2.gz WBLVADDPHIJDNJ-NVXWUHKLSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379658335 572330195 /nfs/dbraw/zinc/33/01/95/572330195.db2.gz WBLVADDPHIJDNJ-NVXWUHKLSA-N 2 1 258.409 3.205 20 30 CGEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926437986 618676730 /nfs/dbraw/zinc/67/67/30/618676730.db2.gz FQUJWCUQCWVQBH-KGLIPLIRSA-N 2 1 253.434 3.025 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790966 619249958 /nfs/dbraw/zinc/24/99/58/619249958.db2.gz JVEWJJLTXHVKSB-SJORKVTESA-N 2 1 294.483 3.260 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742163 621422000 /nfs/dbraw/zinc/42/20/00/621422000.db2.gz KZFIZTWRVZQUJA-YJBOKZPZSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@]1(C)CCCCO1 ZINC000902819774 621455902 /nfs/dbraw/zinc/45/59/02/621455902.db2.gz WYFRVHQCOQWDAO-BDXSIMOUSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@]1(C)CCCCO1 ZINC000902819774 621455912 /nfs/dbraw/zinc/45/59/12/621455912.db2.gz WYFRVHQCOQWDAO-BDXSIMOUSA-N 2 1 294.483 3.353 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCC1 ZINC000903739957 621801084 /nfs/dbraw/zinc/80/10/84/621801084.db2.gz BRFVZFVIHPUAMA-IAGOWNOFSA-N 2 1 289.467 3.315 20 30 CGEDMP C[C@H]1CC2(C[N@H+]1CCCCC1(C#N)CCC1)CC[NH2+]CC2 ZINC000903765400 621803247 /nfs/dbraw/zinc/80/32/47/621803247.db2.gz ZJLFFPJALSGDAI-INIZCTEOSA-N 2 1 289.467 3.315 20 30 CGEDMP N#CC1(CCCC[N@@H+]2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000903775597 621805657 /nfs/dbraw/zinc/80/56/57/621805657.db2.gz MQBNFZGENGYDFL-OAHLLOKOSA-N 2 1 263.429 3.054 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000876757740 634893698 /nfs/dbraw/zinc/89/36/98/634893698.db2.gz FTNVLQRIVNCAAL-IRXDYDNUSA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000876757740 634893702 /nfs/dbraw/zinc/89/37/02/634893702.db2.gz FTNVLQRIVNCAAL-IRXDYDNUSA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000876757740 634893706 /nfs/dbraw/zinc/89/37/06/634893706.db2.gz FTNVLQRIVNCAAL-IRXDYDNUSA-N 2 1 264.457 3.375 20 30 CGEDMP CCC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CCC)c1 ZINC000878013258 635319438 /nfs/dbraw/zinc/31/94/38/635319438.db2.gz AKNZXFYSOLKJEP-UHFFFAOYSA-N 2 1 273.424 3.242 20 30 CGEDMP C=CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151055 635379693 /nfs/dbraw/zinc/37/96/93/635379693.db2.gz UEAZQNIRTKIYBY-SJLPKXTDSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151055 635379701 /nfs/dbraw/zinc/37/97/01/635379701.db2.gz UEAZQNIRTKIYBY-SJLPKXTDSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151055 635379707 /nfs/dbraw/zinc/37/97/07/635379707.db2.gz UEAZQNIRTKIYBY-SJLPKXTDSA-N 2 1 272.436 3.405 20 30 CGEDMP C=C(C)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704014 635835597 /nfs/dbraw/zinc/83/55/97/635835597.db2.gz IESGZQDPDWWTBO-UHFFFAOYSA-N 2 1 252.446 3.252 20 30 CGEDMP Cc1[nH]c(C2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH+]c1C ZINC000886660943 637638476 /nfs/dbraw/zinc/63/84/76/637638476.db2.gz IULRCNAHVZTOAH-UHFFFAOYSA-N 2 1 294.402 3.278 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667330 638386104 /nfs/dbraw/zinc/38/61/04/638386104.db2.gz KZXPFYPFRWENOQ-ILXRZTDVSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667330 638386106 /nfs/dbraw/zinc/38/61/06/638386106.db2.gz KZXPFYPFRWENOQ-ILXRZTDVSA-N 2 1 265.445 3.025 20 30 CGEDMP C=CCC[C@@H](CCC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750556 638596682 /nfs/dbraw/zinc/59/66/82/638596682.db2.gz JFWZPHCQWQWGRV-GFCCVEGCSA-N 2 1 279.453 3.095 20 30 CGEDMP C=C1CCC(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000926927168 638826859 /nfs/dbraw/zinc/82/68/59/638826859.db2.gz OXUGYNLELWCOQW-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950118 /nfs/dbraw/zinc/95/01/18/638950118.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950120 /nfs/dbraw/zinc/95/01/20/638950120.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950122 /nfs/dbraw/zinc/95/01/22/638950122.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 2 1 299.462 3.480 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000930578319 639030487 /nfs/dbraw/zinc/03/04/87/639030487.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930578319 639030492 /nfs/dbraw/zinc/03/04/92/639030492.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000930578319 639030497 /nfs/dbraw/zinc/03/04/97/639030497.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001252141957 806025954 /nfs/dbraw/zinc/02/59/54/806025954.db2.gz QTROEQFTWMQMIB-IXDOHACOSA-N 2 1 284.488 3.028 20 30 CGEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252604102 806083429 /nfs/dbraw/zinc/08/34/29/806083429.db2.gz MWSYRHVZERBRBG-SFHVURJKSA-N 2 1 294.483 3.042 20 30 CGEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001254532164 806445278 /nfs/dbraw/zinc/44/52/78/806445278.db2.gz QRCKJAJTSYUPDM-HXUWFJFHSA-N 2 1 296.458 3.234 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381375513 799378581 /nfs/dbraw/zinc/37/85/81/799378581.db2.gz JRSZJQQEQRXHAF-INIZCTEOSA-N 2 1 262.441 3.034 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381375513 799378588 /nfs/dbraw/zinc/37/85/88/799378588.db2.gz JRSZJQQEQRXHAF-INIZCTEOSA-N 2 1 262.441 3.034 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000695862734 799835603 /nfs/dbraw/zinc/83/56/03/799835603.db2.gz GJNVBTVRUFOVGO-FUHWJXTLSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000695837316 799836202 /nfs/dbraw/zinc/83/62/02/799836202.db2.gz QPKWLIVVJGUAKM-GJZGRUSLSA-N 2 1 265.445 3.169 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001255945911 806792632 /nfs/dbraw/zinc/79/26/32/806792632.db2.gz PIDMMOHYGBNXRI-CABCVRRESA-N 2 1 273.424 3.329 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709788603 800018620 /nfs/dbraw/zinc/01/86/20/800018620.db2.gz FGUMEJNZKVEKMM-INIZCTEOSA-N 2 1 252.446 3.422 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721311 800178778 /nfs/dbraw/zinc/17/87/78/800178778.db2.gz ZXZINZVTJHSOKR-RDGPPVDQSA-N 2 1 282.431 3.041 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716063 800179413 /nfs/dbraw/zinc/17/94/13/800179413.db2.gz ZHCDCGBIPNOUDN-SPUZQDLCSA-N 2 1 270.420 3.204 20 30 CGEDMP C=CCc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c1O ZINC001138628778 803985529 /nfs/dbraw/zinc/98/55/29/803985529.db2.gz DSPOWHZIPIEFDT-UHFFFAOYSA-N 2 1 288.435 3.037 20 30 CGEDMP C=CCc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)c1O ZINC001138628778 803985535 /nfs/dbraw/zinc/98/55/35/803985535.db2.gz DSPOWHZIPIEFDT-UHFFFAOYSA-N 2 1 288.435 3.037 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCCCCC ZINC001246306007 804270312 /nfs/dbraw/zinc/27/03/12/804270312.db2.gz SSMCFHLYXVNROK-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246585503 804429499 /nfs/dbraw/zinc/42/94/99/804429499.db2.gz XNMUXGLVDBYKSJ-VPSFDDGASA-N 2 1 262.441 3.182 20 30 CGEDMP CCCCCCCCC[C@H](C)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246623798 804456759 /nfs/dbraw/zinc/45/67/59/804456759.db2.gz LBRSGXQZBKLBLS-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640634 804467525 /nfs/dbraw/zinc/46/75/25/804467525.db2.gz AIEDKYGPYWQKPA-MRXNPFEDSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640634 804467527 /nfs/dbraw/zinc/46/75/27/804467527.db2.gz AIEDKYGPYWQKPA-MRXNPFEDSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246647708 804475423 /nfs/dbraw/zinc/47/54/23/804475423.db2.gz VERLSZZJTUNFAX-ROUUACIJSA-N 2 1 296.499 3.437 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC([NH2+]C)CC1 ZINC001246815942 804531740 /nfs/dbraw/zinc/53/17/40/804531740.db2.gz FHZMPSUMYSTEPK-FAFZWHIHSA-N 2 1 282.431 3.140 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863558 804567809 /nfs/dbraw/zinc/56/78/09/804567809.db2.gz YOLOLODQTCTLGD-LVYZTWJOSA-N 2 1 282.472 3.031 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246871975 804572924 /nfs/dbraw/zinc/57/29/24/804572924.db2.gz SIVWOOSGCBVUJL-HZPDHXFCSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCC[C@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246948016 804614209 /nfs/dbraw/zinc/61/42/09/804614209.db2.gz ZOGQUUXPCBWFOR-AWEZNQCLSA-N 2 1 252.446 3.441 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001167824322 807255694 /nfs/dbraw/zinc/25/56/94/807255694.db2.gz DJXNXPDZGNWKBB-JKSUJKDBSA-N 2 1 265.445 3.123 20 30 CGEDMP CC[NH+]1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001169261860 807617682 /nfs/dbraw/zinc/61/76/82/807617682.db2.gz PARMKBGUZNDEIV-UHFFFAOYSA-N 2 1 296.458 3.234 20 30 CGEDMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](C#N)CC2)CC1(C)C ZINC001171640018 808111455 /nfs/dbraw/zinc/11/14/55/808111455.db2.gz ZEXYNSDPZGTJJI-CQSZACIVSA-N 2 1 277.456 3.263 20 30 CGEDMP CC(C)[N@@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488600 808349374 /nfs/dbraw/zinc/34/93/74/808349374.db2.gz VBTNMZNOWHRZHC-KKUMJFAQSA-N 2 1 251.418 3.049 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCO ZINC001172505926 808362347 /nfs/dbraw/zinc/36/23/47/808362347.db2.gz XLMILMNVMZCEDU-KRWDZBQOSA-N 2 1 286.504 3.419 20 30 CGEDMP N#CCCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277947927 809108776 /nfs/dbraw/zinc/10/87/76/809108776.db2.gz AQSCZKQBVMGMPU-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277947927 809108781 /nfs/dbraw/zinc/10/87/81/809108781.db2.gz AQSCZKQBVMGMPU-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277947927 809108782 /nfs/dbraw/zinc/10/87/82/809108782.db2.gz AQSCZKQBVMGMPU-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP CCCCCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727955 812718722 /nfs/dbraw/zinc/71/87/22/812718722.db2.gz YDXWECKRYJZNFJ-UHFFFAOYSA-N 2 1 252.446 3.422 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@H]1C[NH3+] ZINC001205626808 813033319 /nfs/dbraw/zinc/03/33/19/813033319.db2.gz JKBSZSLYSJVDRI-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C=CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC001208619597 813776474 /nfs/dbraw/zinc/77/64/74/813776474.db2.gz YHHBIPHBZHGZTD-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC001208619597 813776481 /nfs/dbraw/zinc/77/64/81/813776481.db2.gz YHHBIPHBZHGZTD-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC001208619597 813776482 /nfs/dbraw/zinc/77/64/82/813776482.db2.gz YHHBIPHBZHGZTD-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC001208619597 813776487 /nfs/dbraw/zinc/77/64/87/813776487.db2.gz YHHBIPHBZHGZTD-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001232146220 818264428 /nfs/dbraw/zinc/26/44/28/818264428.db2.gz MGVCEVAXOCQBBV-AWEZNQCLSA-N 2 1 289.398 3.013 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001232146220 818264431 /nfs/dbraw/zinc/26/44/31/818264431.db2.gz MGVCEVAXOCQBBV-AWEZNQCLSA-N 2 1 289.398 3.013 20 30 CGEDMP C=CCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377885 819081728 /nfs/dbraw/zinc/08/17/28/819081728.db2.gz FTVKLSPPBAPDIF-MSOLQXFVSA-N 2 1 270.420 3.032 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235928860 819227572 /nfs/dbraw/zinc/22/75/72/819227572.db2.gz DKWCUKXDSFFWFM-IBHATUTGSA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411740 819459094 /nfs/dbraw/zinc/45/90/94/819459094.db2.gz PAVUPLBRWVLHDL-OQHRXXSJSA-N 2 1 250.430 3.053 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411740 819459099 /nfs/dbraw/zinc/45/90/99/819459099.db2.gz PAVUPLBRWVLHDL-OQHRXXSJSA-N 2 1 250.430 3.053 20 30 CGEDMP C#Cc1cccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552964 819535079 /nfs/dbraw/zinc/53/50/79/819535079.db2.gz LDWKWYYLJDHVCD-WGSAOQKQSA-N 2 1 282.431 3.150 20 30 CGEDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096297 933999816 /nfs/dbraw/zinc/99/98/16/933999816.db2.gz RHQNUFMYVVZKSB-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096297 933999823 /nfs/dbraw/zinc/99/98/23/933999823.db2.gz RHQNUFMYVVZKSB-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001332992416 935503182 /nfs/dbraw/zinc/50/31/82/935503182.db2.gz HBYDVCFSZKILBQ-KRWDZBQOSA-N 2 1 287.451 3.258 20 30 CGEDMP C=CCCC[N@H+](CC)Cc1cccc2c1CC[NH2+]C2 ZINC001574922072 962335253 /nfs/dbraw/zinc/33/52/53/962335253.db2.gz RNFRATVCKZWPRQ-UHFFFAOYSA-N 2 1 258.409 3.120 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000651672933 398266403 /nfs/dbraw/zinc/26/64/03/398266403.db2.gz PUOKFXSSXMNYRK-FVQBIDKESA-N 2 1 261.413 3.162 20 30 CGEDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000338014193 214361069 /nfs/dbraw/zinc/36/10/69/214361069.db2.gz RLFMVAVRARTPJV-QGZVFWFLSA-N 2 1 282.391 3.194 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622916 344963966 /nfs/dbraw/zinc/96/39/66/344963966.db2.gz YNYACXIKSFIFBI-INIZCTEOSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622916 344963967 /nfs/dbraw/zinc/96/39/67/344963967.db2.gz YNYACXIKSFIFBI-INIZCTEOSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622227 344964135 /nfs/dbraw/zinc/96/41/35/344964135.db2.gz AJXHASVUKMTNPO-QGZVFWFLSA-N 2 1 288.435 3.071 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000174363108 346241277 /nfs/dbraw/zinc/24/12/77/346241277.db2.gz ZAGQNMKZMYYGTE-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033374 347141182 /nfs/dbraw/zinc/14/11/82/347141182.db2.gz OEHQPDXGLDEPSB-KRWDZBQOSA-N 2 1 283.419 3.011 20 30 CGEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602468421 347964360 /nfs/dbraw/zinc/96/43/60/347964360.db2.gz NSIDBUZXWCRQGZ-PKOBYXMFSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H](CCC#N)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602468421 347964363 /nfs/dbraw/zinc/96/43/63/347964363.db2.gz NSIDBUZXWCRQGZ-PKOBYXMFSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H](CCC#N)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602468421 347964365 /nfs/dbraw/zinc/96/43/65/347964365.db2.gz NSIDBUZXWCRQGZ-PKOBYXMFSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602595897 347991180 /nfs/dbraw/zinc/99/11/80/347991180.db2.gz GDYZVLIBVJVPSC-GYXIZQIFSA-N 2 1 289.467 3.311 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000611390990 348444271 /nfs/dbraw/zinc/44/42/71/348444271.db2.gz YZVQOPIMAKNVBF-BEFAXECRSA-N 2 1 295.430 3.010 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000613254691 348581431 /nfs/dbraw/zinc/58/14/31/348581431.db2.gz RAAIMIYNDMUOOQ-IXDOHACOSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000613254691 348581433 /nfs/dbraw/zinc/58/14/33/348581433.db2.gz RAAIMIYNDMUOOQ-IXDOHACOSA-N 2 1 277.456 3.313 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755564 349282443 /nfs/dbraw/zinc/28/24/43/349282443.db2.gz ZRYAYFFEUVKADC-LRDDRELGSA-N 2 1 291.826 3.032 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755564 349282445 /nfs/dbraw/zinc/28/24/45/349282445.db2.gz ZRYAYFFEUVKADC-LRDDRELGSA-N 2 1 291.826 3.032 20 30 CGEDMP C#CC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000271712132 191287038 /nfs/dbraw/zinc/28/70/38/191287038.db2.gz OOTSHMZBYMVFOQ-SFHVURJKSA-N 2 1 270.420 3.215 20 30 CGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000179670312 189211633 /nfs/dbraw/zinc/21/16/33/189211633.db2.gz NBMSKULJOSDXDA-KBPBESRZSA-N 2 1 282.391 3.050 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000124986172 370929291 /nfs/dbraw/zinc/92/92/91/370929291.db2.gz IJLJVEBCNPBPFA-UHFFFAOYSA-N 2 1 287.382 3.409 20 30 CGEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1F ZINC000124986172 370929296 /nfs/dbraw/zinc/92/92/96/370929296.db2.gz IJLJVEBCNPBPFA-UHFFFAOYSA-N 2 1 287.382 3.409 20 30 CGEDMP C=C(C)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821214 370103634 /nfs/dbraw/zinc/10/36/34/370103634.db2.gz SXIJJSPKFUWVKH-UHFFFAOYSA-N 2 1 273.424 3.196 20 30 CGEDMP CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCC1 ZINC000135144715 371394277 /nfs/dbraw/zinc/39/42/77/371394277.db2.gz RADNLWJRBFOGNK-HNNXBMFYSA-N 2 1 265.445 3.026 20 30 CGEDMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335947 /nfs/dbraw/zinc/33/59/47/372335947.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 2 1 285.435 3.253 20 30 CGEDMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335952 /nfs/dbraw/zinc/33/59/52/372335952.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 2 1 285.435 3.253 20 30 CGEDMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335961 /nfs/dbraw/zinc/33/59/61/372335961.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 2 1 285.435 3.253 20 30 CGEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163335005 372461740 /nfs/dbraw/zinc/46/17/40/372461740.db2.gz FZGKBPWTUCLODN-MRXNPFEDSA-N 2 1 272.436 3.248 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353412323 220069306 /nfs/dbraw/zinc/06/93/06/220069306.db2.gz LSWODKLTWNGFRC-DNVCBOLYSA-N 2 1 297.446 3.400 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430340 220077568 /nfs/dbraw/zinc/07/75/68/220077568.db2.gz WIXQGEQWKACWAD-APWZRJJASA-N 2 1 297.446 3.256 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062553 373659562 /nfs/dbraw/zinc/65/95/62/373659562.db2.gz MGGUBKGTMIAUKR-GTPINHCMSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480704032 375160551 /nfs/dbraw/zinc/16/05/51/375160551.db2.gz YVGXXVBTZHSOTG-XHSDSOJGSA-N 2 1 252.446 3.441 20 30 CGEDMP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1C#N ZINC000487858178 375278406 /nfs/dbraw/zinc/27/84/06/375278406.db2.gz JMLPCGAIVYGQBW-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1C#N ZINC000487858178 375278411 /nfs/dbraw/zinc/27/84/11/375278411.db2.gz JMLPCGAIVYGQBW-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000502985844 375648076 /nfs/dbraw/zinc/64/80/76/375648076.db2.gz GDXGKBQBCDWXGH-MJGOQNOKSA-N 2 1 284.447 3.420 20 30 CGEDMP C=CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246238082 376995276 /nfs/dbraw/zinc/99/52/76/376995276.db2.gz UIKLBNTXNABWIZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246238082 376995284 /nfs/dbraw/zinc/99/52/84/376995284.db2.gz UIKLBNTXNABWIZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246238082 376995291 /nfs/dbraw/zinc/99/52/91/376995291.db2.gz UIKLBNTXNABWIZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000248012436 377258797 /nfs/dbraw/zinc/25/87/97/377258797.db2.gz LKQXFZMWMOTOAR-ZMSDIMECSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000248012436 377258803 /nfs/dbraw/zinc/25/88/03/377258803.db2.gz LKQXFZMWMOTOAR-ZMSDIMECSA-N 2 1 288.435 3.070 20 30 CGEDMP C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248742939 377394351 /nfs/dbraw/zinc/39/43/51/377394351.db2.gz ALTDIPCUSNCUAG-LDLYASANSA-N 2 1 282.431 3.185 20 30 CGEDMP N#CCc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000343538090 378012408 /nfs/dbraw/zinc/01/24/08/378012408.db2.gz SAYIINRMDIEPGM-LJQANCHMSA-N 2 1 297.446 3.203 20 30 CGEDMP N#CCc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000343538090 378012412 /nfs/dbraw/zinc/01/24/12/378012412.db2.gz SAYIINRMDIEPGM-LJQANCHMSA-N 2 1 297.446 3.203 20 30 CGEDMP Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1C#N ZINC000578272407 378053109 /nfs/dbraw/zinc/05/31/09/378053109.db2.gz KLYPJDLANMCUOS-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP CCC(CC)C[N@@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000270712112 378391738 /nfs/dbraw/zinc/39/17/38/378391738.db2.gz ZVTWUNAMNHIYAI-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP CCC(CC)C[N@H+](CCC#N)CCCn1cc[nH+]c1C ZINC000270712112 378391740 /nfs/dbraw/zinc/39/17/40/378391740.db2.gz ZVTWUNAMNHIYAI-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000638523347 378824101 /nfs/dbraw/zinc/82/41/01/378824101.db2.gz AGMGHEFVPJFTGF-OALUTQOASA-N 2 1 284.447 3.420 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348250538 378864335 /nfs/dbraw/zinc/86/43/35/378864335.db2.gz WWJLZIWQMCQJRI-SJLPKXTDSA-N 2 1 270.420 3.030 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000371769816 379174253 /nfs/dbraw/zinc/17/42/53/379174253.db2.gz NGDLZXRLMMDQGK-UHFFFAOYSA-N 2 1 297.446 3.073 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204560 380362475 /nfs/dbraw/zinc/36/24/75/380362475.db2.gz FPJLZPRTKJRDSC-BBRMVZONSA-N 2 1 289.398 3.002 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351329043 393182185 /nfs/dbraw/zinc/18/21/85/393182185.db2.gz OBNMRPJKXGYHKS-IAGOWNOFSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351329043 393182190 /nfs/dbraw/zinc/18/21/90/393182190.db2.gz OBNMRPJKXGYHKS-IAGOWNOFSA-N 2 1 277.456 3.267 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191481 393377641 /nfs/dbraw/zinc/37/76/41/393377641.db2.gz QMDZGYYTUHKVOJ-WBVHZDCISA-N 2 1 270.420 3.348 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191481 393377647 /nfs/dbraw/zinc/37/76/47/393377647.db2.gz QMDZGYYTUHKVOJ-WBVHZDCISA-N 2 1 270.420 3.348 20 30 CGEDMP C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683843523 543948060 /nfs/dbraw/zinc/94/80/60/543948060.db2.gz HEWQFTJTXZDNHV-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000661378490 419255105 /nfs/dbraw/zinc/25/51/05/419255105.db2.gz HOIVLLDTUHMYOD-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661378490 419255107 /nfs/dbraw/zinc/25/51/07/419255107.db2.gz HOIVLLDTUHMYOD-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661378490 419255109 /nfs/dbraw/zinc/25/51/09/419255109.db2.gz HOIVLLDTUHMYOD-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000657844214 419386275 /nfs/dbraw/zinc/38/62/75/419386275.db2.gz HNXVDJBCYLTRDC-GVDBMIGSSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccco1 ZINC000514092383 263264074 /nfs/dbraw/zinc/26/40/74/263264074.db2.gz FCMKERITDGHSBD-CQSZACIVSA-N 2 1 264.413 3.464 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000132211571 264386019 /nfs/dbraw/zinc/38/60/19/264386019.db2.gz KGRAFCPXGPSZJB-UHFFFAOYSA-N 2 1 288.435 3.025 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C#N)cc1 ZINC000157327566 290031575 /nfs/dbraw/zinc/03/15/75/290031575.db2.gz LLMYSFZEXDTGSE-UYHISHBKSA-N 2 1 277.371 3.354 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453353090 331121051 /nfs/dbraw/zinc/12/10/51/331121051.db2.gz HJAMOIRETBVLFM-ARFHVFGLSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459791725 331301261 /nfs/dbraw/zinc/30/12/61/331301261.db2.gz RQPAMEPHXNHQGY-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000252696099 334385600 /nfs/dbraw/zinc/38/56/00/334385600.db2.gz LTRQXWPRVXQXIH-QLPKVWCKSA-N 2 1 264.457 3.441 20 30 CGEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423272902 528520139 /nfs/dbraw/zinc/52/01/39/528520139.db2.gz ZPPMOZJNRJKSIV-SJLPKXTDSA-N 2 1 285.435 3.289 20 30 CGEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926437985 618676581 /nfs/dbraw/zinc/67/65/81/618676581.db2.gz FQUJWCUQCWVQBH-KBPBESRZSA-N 2 1 253.434 3.025 20 30 CGEDMP C=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903083966 621564687 /nfs/dbraw/zinc/56/46/87/621564687.db2.gz RODKVZBMQCVQRU-JLYLLQBASA-N 2 1 282.431 3.447 20 30 CGEDMP C[C@@H]1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C[NH3+] ZINC000903761593 621802684 /nfs/dbraw/zinc/80/26/84/621802684.db2.gz WUNIMUOKNXOUDJ-PMPSAXMXSA-N 2 1 277.456 3.156 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903883233 621826354 /nfs/dbraw/zinc/82/63/54/621826354.db2.gz FZFLGWNNHKJOSY-AYHJJNSGSA-N 2 1 270.420 3.205 20 30 CGEDMP C#CCC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773732218 627908608 /nfs/dbraw/zinc/90/86/08/627908608.db2.gz QQGIJILIUSDAMC-UHFFFAOYSA-N 2 1 264.457 3.090 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685512 630780822 /nfs/dbraw/zinc/78/08/22/630780822.db2.gz XMDFREPYEDCAGA-WDSOQIARSA-N 2 1 284.447 3.287 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685512 630780823 /nfs/dbraw/zinc/78/08/23/630780823.db2.gz XMDFREPYEDCAGA-WDSOQIARSA-N 2 1 284.447 3.287 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000815652656 631813894 /nfs/dbraw/zinc/81/38/94/631813894.db2.gz LPYWWGUNNJONCX-OAHLLOKOSA-N 2 1 278.465 3.380 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000815652656 631813899 /nfs/dbraw/zinc/81/38/99/631813899.db2.gz LPYWWGUNNJONCX-OAHLLOKOSA-N 2 1 278.465 3.380 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000820846929 632687129 /nfs/dbraw/zinc/68/71/29/632687129.db2.gz NLNPVHGAGGMDOF-GOSISDBHSA-N 2 1 272.436 3.115 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000820846929 632687131 /nfs/dbraw/zinc/68/71/31/632687131.db2.gz NLNPVHGAGGMDOF-GOSISDBHSA-N 2 1 272.436 3.115 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866260433 633049007 /nfs/dbraw/zinc/04/90/07/633049007.db2.gz GWMOMVBLMPNPBX-MRXNPFEDSA-N 2 1 287.451 3.033 20 30 CGEDMP C#CC[C@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806003 633791488 /nfs/dbraw/zinc/79/14/88/633791488.db2.gz YYPUFWRFIPVAEO-VGIQHARFSA-N 2 1 298.474 3.013 20 30 CGEDMP C#CC[C@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806003 633791491 /nfs/dbraw/zinc/79/14/91/633791491.db2.gz YYPUFWRFIPVAEO-VGIQHARFSA-N 2 1 298.474 3.013 20 30 CGEDMP C#CC[C@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806003 633791500 /nfs/dbraw/zinc/79/15/00/633791500.db2.gz YYPUFWRFIPVAEO-VGIQHARFSA-N 2 1 298.474 3.013 20 30 CGEDMP C=C(Br)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516860 636013408 /nfs/dbraw/zinc/01/34/08/636013408.db2.gz AXPQUEQNCUCHBA-UHFFFAOYSA-N 2 1 289.261 3.093 20 30 CGEDMP C=C(Br)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516860 636013410 /nfs/dbraw/zinc/01/34/10/636013410.db2.gz AXPQUEQNCUCHBA-UHFFFAOYSA-N 2 1 289.261 3.093 20 30 CGEDMP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000883192927 636577120 /nfs/dbraw/zinc/57/71/20/636577120.db2.gz KSTOUNACCGNENK-IRXDYDNUSA-N 2 1 291.439 3.075 20 30 CGEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000883210667 636587648 /nfs/dbraw/zinc/58/76/48/636587648.db2.gz XHBNISGBFXMDET-IBGZPJMESA-N 2 1 284.447 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885973724 637339058 /nfs/dbraw/zinc/33/90/58/637339058.db2.gz ZGSZLMXWIMRTFK-GQCTYLIASA-N 2 1 288.410 3.469 20 30 CGEDMP CC(C)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254506858 806428724 /nfs/dbraw/zinc/42/87/24/806428724.db2.gz BRMWHHHJDQCPCC-QZTJIDSGSA-N 2 1 285.435 3.329 20 30 CGEDMP CC[C@@H](CC#N)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255161256 806559395 /nfs/dbraw/zinc/55/93/95/806559395.db2.gz XCAYASHLILOXGX-BZSNNMDCSA-N 2 1 285.435 3.451 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872103032 800536735 /nfs/dbraw/zinc/53/67/35/800536735.db2.gz WPALYJIBVKQUQC-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP N#CC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCCC1 ZINC000925705248 800632467 /nfs/dbraw/zinc/63/24/67/800632467.db2.gz HKLZTPGSRWGBSI-IRXDYDNUSA-N 2 1 289.467 3.218 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523551 806909384 /nfs/dbraw/zinc/90/93/84/806909384.db2.gz PVVHOEVZDPOKCD-NVXWUHKLSA-N 2 1 270.420 3.041 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523551 806909387 /nfs/dbraw/zinc/90/93/87/806909387.db2.gz PVVHOEVZDPOKCD-NVXWUHKLSA-N 2 1 270.420 3.041 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001245995090 804096457 /nfs/dbraw/zinc/09/64/57/804096457.db2.gz SPACQGHZQYKDNO-IKGGRYGDSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001246048209 804105271 /nfs/dbraw/zinc/10/52/71/804105271.db2.gz YPKYTAFZPVOLDY-IAGOWNOFSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246287678 804260657 /nfs/dbraw/zinc/26/06/57/804260657.db2.gz KGZIGYLUNUBFMR-SJORKVTESA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)N[C@@H]([NH3+])CCC[NH3+] ZINC001246302376 804268537 /nfs/dbraw/zinc/26/85/37/804268537.db2.gz XYAPNVRPFHEKAU-HZPDHXFCSA-N 2 1 271.493 3.375 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246302376 804268543 /nfs/dbraw/zinc/26/85/43/804268543.db2.gz XYAPNVRPFHEKAU-HZPDHXFCSA-N 3 1 271.493 3.375 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246327539 804284488 /nfs/dbraw/zinc/28/44/88/804284488.db2.gz OICZWAIQKPOEEF-FZKCQIBNSA-N 2 1 288.435 3.431 20 30 CGEDMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768153 804500476 /nfs/dbraw/zinc/50/04/76/804500476.db2.gz FDTCBKKTZXHKKV-ROUUACIJSA-N 2 1 285.435 3.301 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246816659 804531900 /nfs/dbraw/zinc/53/19/00/804531900.db2.gz KVWIYUFNJRMFIA-MISYRCLQSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246816659 804531905 /nfs/dbraw/zinc/53/19/05/804531905.db2.gz KVWIYUFNJRMFIA-MISYRCLQSA-N 2 1 296.458 3.386 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246825174 804537183 /nfs/dbraw/zinc/53/71/83/804537183.db2.gz RJPHVQFDMYAKPP-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246825174 804537189 /nfs/dbraw/zinc/53/71/89/804537189.db2.gz RJPHVQFDMYAKPP-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840707 804550026 /nfs/dbraw/zinc/55/00/26/804550026.db2.gz JKDKOJUFIRYFIG-JONQDZQNSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246847864 804558056 /nfs/dbraw/zinc/55/80/56/804558056.db2.gz SXEHVDLDTHNJLH-XHSDSOJGSA-N 2 1 252.446 3.277 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006046 804637002 /nfs/dbraw/zinc/63/70/02/804637002.db2.gz RZNQSRLKRPNDKE-INIZCTEOSA-N 2 1 284.447 3.478 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022483 807301500 /nfs/dbraw/zinc/30/15/00/807301500.db2.gz SEMWDYWJYOAZBB-XLMAVXFVSA-N 2 1 270.420 3.039 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022483 807301506 /nfs/dbraw/zinc/30/15/06/807301506.db2.gz SEMWDYWJYOAZBB-XLMAVXFVSA-N 2 1 270.420 3.039 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001258720042 807568440 /nfs/dbraw/zinc/56/84/40/807568440.db2.gz QBESLXJVSAGAAA-HNNXBMFYSA-N 2 1 273.424 3.303 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258722110 807569956 /nfs/dbraw/zinc/56/99/56/807569956.db2.gz CIHGZXIVLCVLHV-OAHLLOKOSA-N 2 1 288.435 3.301 20 30 CGEDMP C=C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001169122820 807583443 /nfs/dbraw/zinc/58/34/43/807583443.db2.gz FGRRAXZWWNQLOV-WCXIOVBPSA-N 2 1 256.393 3.129 20 30 CGEDMP C=C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169122820 807583448 /nfs/dbraw/zinc/58/34/48/807583448.db2.gz FGRRAXZWWNQLOV-WCXIOVBPSA-N 2 1 256.393 3.129 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001171182048 808001995 /nfs/dbraw/zinc/00/19/95/808001995.db2.gz RZUMCSGUBDTUBA-SJORKVTESA-N 2 1 299.462 3.343 20 30 CGEDMP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220699 808010491 /nfs/dbraw/zinc/01/04/91/808010491.db2.gz DQMZZSOJABNZMY-MRXNPFEDSA-N 2 1 299.462 3.295 20 30 CGEDMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](CC#N)C2)CC1(C)C ZINC001171639539 808110742 /nfs/dbraw/zinc/11/07/42/808110742.db2.gz ODRPLFGPSKTIBU-CQSZACIVSA-N 2 1 277.456 3.263 20 30 CGEDMP CC1(C)C[C@H]([NH2+]C2CC(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975058 808163703 /nfs/dbraw/zinc/16/37/03/808163703.db2.gz BYWLCOXDHYJRHM-LXPRWKDFSA-N 2 1 297.446 3.321 20 30 CGEDMP CC1(C)C[C@@H]([NH2+]CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171984934 808165286 /nfs/dbraw/zinc/16/52/86/808165286.db2.gz YXQYHRUVBJOQSL-KRWDZBQOSA-N 2 1 285.435 3.323 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077288 808170125 /nfs/dbraw/zinc/17/01/25/808170125.db2.gz QSXNXBWNSYATCN-OQIJWPOYSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077288 808170130 /nfs/dbraw/zinc/17/01/30/808170130.db2.gz QSXNXBWNSYATCN-OQIJWPOYSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077286 808170599 /nfs/dbraw/zinc/17/05/99/808170599.db2.gz QSXNXBWNSYATCN-DSLXNQLJSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077286 808170606 /nfs/dbraw/zinc/17/06/06/808170606.db2.gz QSXNXBWNSYATCN-DSLXNQLJSA-N 2 1 282.431 3.183 20 30 CGEDMP CC(C)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300602 808220956 /nfs/dbraw/zinc/22/09/56/808220956.db2.gz YDUYJUBZUVBAPZ-SNRMKQJTSA-N 2 1 299.462 3.470 20 30 CGEDMP CC(C)[NH+](CC[NH2+]C1CCC(CC#N)CC1)C(C)C ZINC001173326292 808613269 /nfs/dbraw/zinc/61/32/69/808613269.db2.gz WLDWLXSDVVDCAV-UHFFFAOYSA-N 2 1 265.445 3.167 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432092 /nfs/dbraw/zinc/43/20/92/811432092.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432098 /nfs/dbraw/zinc/43/20/98/811432098.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432105 /nfs/dbraw/zinc/43/21/05/811432105.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432110 /nfs/dbraw/zinc/43/21/10/811432110.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748301 812725902 /nfs/dbraw/zinc/72/59/02/812725902.db2.gz ISCIPOMHTWMMPG-INIZCTEOSA-N 2 1 270.461 3.177 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210579 812909101 /nfs/dbraw/zinc/90/91/01/812909101.db2.gz QAKPATIDYQOPSD-KRWDZBQOSA-N 2 1 282.472 3.079 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211939 812909483 /nfs/dbraw/zinc/90/94/83/812909483.db2.gz WYMZCFJNUPFKPC-GOSISDBHSA-N 2 1 296.499 3.469 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C[NH3+] ZINC001205652954 813041391 /nfs/dbraw/zinc/04/13/91/813041391.db2.gz RMHNTGSUWKQNKK-WFASDCNBSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651646 813042186 /nfs/dbraw/zinc/04/21/86/813042186.db2.gz HVVCGQMDINWCNO-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])CC1 ZINC001205803347 813084367 /nfs/dbraw/zinc/08/43/67/813084367.db2.gz GKACAWKWWQHQQQ-OIISXLGYSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])CC1 ZINC001205803347 813084376 /nfs/dbraw/zinc/08/43/76/813084376.db2.gz GKACAWKWWQHQQQ-OIISXLGYSA-N 2 1 262.441 3.348 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206025429 813170640 /nfs/dbraw/zinc/17/06/40/813170640.db2.gz OAFRMBDFKYXELS-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001206311347 813284538 /nfs/dbraw/zinc/28/45/38/813284538.db2.gz MWXSBHPDHPRBSS-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206564440 813354239 /nfs/dbraw/zinc/35/42/39/813354239.db2.gz NQRLQMQGLFQZAV-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001206801466 813439609 /nfs/dbraw/zinc/43/96/09/813439609.db2.gz WNUHMTUCZDLMOO-APWZRJJASA-N 2 1 299.462 3.419 20 30 CGEDMP CC1(C#N)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954594 813910666 /nfs/dbraw/zinc/91/06/66/813910666.db2.gz WNIZDLFCUIQEBR-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP CC1(C#N)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954594 813910672 /nfs/dbraw/zinc/91/06/72/813910672.db2.gz WNIZDLFCUIQEBR-GOSISDBHSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344866 816414378 /nfs/dbraw/zinc/41/43/78/816414378.db2.gz FGYKJDOVVWESDF-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222344866 816414382 /nfs/dbraw/zinc/41/43/82/816414382.db2.gz FGYKJDOVVWESDF-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](CCC)CCC[NH+](C)C)c1 ZINC001231624230 818139425 /nfs/dbraw/zinc/13/94/25/818139425.db2.gz JZIDOVWNCMHKJI-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402864 819086379 /nfs/dbraw/zinc/08/63/79/819086379.db2.gz KBIWSMOLWKREHB-JKSUJKDBSA-N 2 1 268.420 3.146 20 30 CGEDMP N#CCC[N@H+](CC1(F)CC[NH2+]CC1)C1CCCCCCC1 ZINC001235662912 819132036 /nfs/dbraw/zinc/13/20/36/819132036.db2.gz DSIZBLYULHSMAD-UHFFFAOYSA-N 2 1 295.446 3.407 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929528 819227319 /nfs/dbraw/zinc/22/73/19/819227319.db2.gz QZEHTSJQXKPIPQ-IAGOWNOFSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC001235962170 819251760 /nfs/dbraw/zinc/25/17/60/819251760.db2.gz LRXZDVFVGDMSMU-UHFFFAOYSA-N 2 1 266.388 3.334 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073826 819302277 /nfs/dbraw/zinc/30/22/77/819302277.db2.gz RYRISSHMHIVQLJ-GOSISDBHSA-N 2 1 295.515 3.234 20 30 CGEDMP C=CCCCCCCC[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409118 819455458 /nfs/dbraw/zinc/45/54/58/819455458.db2.gz XPKROBQELKPNJU-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC001308792778 933178142 /nfs/dbraw/zinc/17/81/42/933178142.db2.gz KPSSCZIJCKLMBZ-MRXNPFEDSA-N 2 1 297.446 3.034 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC001308792778 933178145 /nfs/dbraw/zinc/17/81/45/933178145.db2.gz KPSSCZIJCKLMBZ-MRXNPFEDSA-N 2 1 297.446 3.034 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)CCCC)C1 ZINC001308796360 933178700 /nfs/dbraw/zinc/17/87/00/933178700.db2.gz PNCDBAAVPGUPBI-PMPSAXMXSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)CCCC)C1 ZINC001308796360 933178702 /nfs/dbraw/zinc/17/87/02/933178702.db2.gz PNCDBAAVPGUPBI-PMPSAXMXSA-N 2 1 252.446 3.441 20 30 CGEDMP CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193124 937796481 /nfs/dbraw/zinc/79/64/81/937796481.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193124 937796484 /nfs/dbraw/zinc/79/64/84/937796484.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473193124 937796486 /nfs/dbraw/zinc/79/64/86/937796486.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193124 937796487 /nfs/dbraw/zinc/79/64/87/937796487.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 2 1 284.447 3.242 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC001560488752 938260406 /nfs/dbraw/zinc/26/04/06/938260406.db2.gz QPMDFOKKPLVQDV-DLBZAZTESA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC001560488752 938260407 /nfs/dbraw/zinc/26/04/07/938260407.db2.gz QPMDFOKKPLVQDV-DLBZAZTESA-N 2 1 264.457 3.136 20 30 CGEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822771 /nfs/dbraw/zinc/82/27/71/346822771.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822774 /nfs/dbraw/zinc/82/27/74/346822774.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822778 /nfs/dbraw/zinc/82/27/78/346822778.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 2 1 297.446 3.015 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000651830083 398295416 /nfs/dbraw/zinc/29/54/16/398295416.db2.gz ZQWHJMAHMRUQJQ-OWCLPIDISA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000172629874 346227908 /nfs/dbraw/zinc/22/79/08/346227908.db2.gz ISCVEPWQCOBEOU-UHFFFAOYSA-N 2 1 289.467 3.274 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000174363080 346241264 /nfs/dbraw/zinc/24/12/64/346241264.db2.gz ZAGQNMKZMYYGTE-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496857 347178606 /nfs/dbraw/zinc/17/86/06/347178606.db2.gz XUXXWVDPWMKLKG-KRWDZBQOSA-N 2 1 299.462 3.309 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639533 347330923 /nfs/dbraw/zinc/33/09/23/347330923.db2.gz LSRJXVFBYBMQPD-UHFFFAOYSA-N 2 1 296.418 3.368 20 30 CGEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCC(C)(C)C#N)C2 ZINC000595503987 347312896 /nfs/dbraw/zinc/31/28/96/347312896.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000595503987 347312897 /nfs/dbraw/zinc/31/28/97/347312897.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000595503987 347312898 /nfs/dbraw/zinc/31/28/98/347312898.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097502 347383164 /nfs/dbraw/zinc/38/31/64/347383164.db2.gz YHCUQXDUACGOMI-MAUKXSAKSA-N 2 1 297.446 3.331 20 30 CGEDMP C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711118 347829619 /nfs/dbraw/zinc/82/96/19/347829619.db2.gz RCWJIWFORNYZBU-IZIZEDOESA-N 2 1 297.446 3.121 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602524752 347975664 /nfs/dbraw/zinc/97/56/64/347975664.db2.gz DOCBDQNCSMCWDO-HUUCEWRRSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000602524752 347975667 /nfs/dbraw/zinc/97/56/67/347975667.db2.gz DOCBDQNCSMCWDO-HUUCEWRRSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](CC[NH2+]C[C@@H](C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000602572747 347985659 /nfs/dbraw/zinc/98/56/59/347985659.db2.gz MAQKKCNPEKTGGW-DLBZAZTESA-N 2 1 287.451 3.426 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674206 /nfs/dbraw/zinc/67/42/06/348674206.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674208 /nfs/dbraw/zinc/67/42/08/348674208.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674211 /nfs/dbraw/zinc/67/42/11/348674211.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000336482163 283058805 /nfs/dbraw/zinc/05/88/05/283058805.db2.gz HUHSRDLRZGIYLX-ZBFHGGJFSA-N 2 1 298.434 3.091 20 30 CGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423016333 283213693 /nfs/dbraw/zinc/21/36/93/283213693.db2.gz MGAMSFZVWDSAKL-OALUTQOASA-N 2 1 291.398 3.195 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000425532146 236257607 /nfs/dbraw/zinc/25/76/07/236257607.db2.gz ILMANBACUUYNFI-MRXNPFEDSA-N 2 1 285.435 3.427 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000425532146 236257608 /nfs/dbraw/zinc/25/76/08/236257608.db2.gz ILMANBACUUYNFI-MRXNPFEDSA-N 2 1 285.435 3.427 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000037786475 369113576 /nfs/dbraw/zinc/11/35/76/369113576.db2.gz KETVOAPCOJBQGS-AWEZNQCLSA-N 2 1 285.435 3.472 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249119 371406290 /nfs/dbraw/zinc/40/62/90/371406290.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249119 371406298 /nfs/dbraw/zinc/40/62/98/371406298.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249119 371406305 /nfs/dbraw/zinc/40/63/05/371406305.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249119 371406313 /nfs/dbraw/zinc/40/63/13/371406313.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 2 1 299.462 3.402 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccco1 ZINC000293752770 372470693 /nfs/dbraw/zinc/47/06/93/372470693.db2.gz RLPZLECJEFDZBL-KBPBESRZSA-N 2 1 250.386 3.074 20 30 CGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442794401 373087342 /nfs/dbraw/zinc/08/73/42/373087342.db2.gz SZFXMTMPEZNQFX-MDZRGWNJSA-N 2 1 297.446 3.494 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449120465 373664183 /nfs/dbraw/zinc/66/41/83/373664183.db2.gz DBQBFTXPMIJUTQ-YQQAZPJKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449698579 373844459 /nfs/dbraw/zinc/84/44/59/373844459.db2.gz OCLQQZGOWGOGNW-WMLDXEAASA-N 2 1 299.418 3.158 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348250536 378864381 /nfs/dbraw/zinc/86/43/81/378864381.db2.gz WWJLZIWQMCQJRI-AEFFLSMTSA-N 2 1 270.420 3.030 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000375713404 379506388 /nfs/dbraw/zinc/50/63/88/379506388.db2.gz YJJSPRLYBQTXEI-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CCN(Cc1c(C)cc(C)nc1C)[C@H](C)COC ZINC000639784857 379583522 /nfs/dbraw/zinc/58/35/22/379583522.db2.gz PGXRFSDOGHGKOF-CQSZACIVSA-N 2 1 262.397 3.030 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755471 379569739 /nfs/dbraw/zinc/56/97/39/379569739.db2.gz MBDXHTCIPHBAEE-UHFFFAOYSA-N 2 1 250.430 3.151 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411396253 380142519 /nfs/dbraw/zinc/14/25/19/380142519.db2.gz FOLXNNLNRFFDIL-UHFFFAOYSA-N 2 1 288.439 3.378 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411396253 380142528 /nfs/dbraw/zinc/14/25/28/380142528.db2.gz FOLXNNLNRFFDIL-UHFFFAOYSA-N 2 1 288.439 3.378 20 30 CGEDMP C=CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738215 380764590 /nfs/dbraw/zinc/76/45/90/380764590.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738215 380764593 /nfs/dbraw/zinc/76/45/93/380764593.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355738215 380764597 /nfs/dbraw/zinc/76/45/97/380764597.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282512446 392292490 /nfs/dbraw/zinc/29/24/90/392292490.db2.gz OSSJRZWMCLRCDD-QGZVFWFLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282512446 392292493 /nfs/dbraw/zinc/29/24/93/392292493.db2.gz OSSJRZWMCLRCDD-QGZVFWFLSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[N@@H+](CCC[NH+]1CCCC1)CC(C)(C)CCC#N ZINC000349407302 393146668 /nfs/dbraw/zinc/14/66/68/393146668.db2.gz NIULMKZCAAKUFX-UHFFFAOYSA-N 2 1 265.445 3.124 20 30 CGEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(C)c2)CC1 ZINC000488453939 393521231 /nfs/dbraw/zinc/52/12/31/393521231.db2.gz XMLRYEBVPULGDR-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(C)c2)CC1 ZINC000488453939 393521237 /nfs/dbraw/zinc/52/12/37/393521237.db2.gz XMLRYEBVPULGDR-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189081 171054529 /nfs/dbraw/zinc/05/45/29/171054529.db2.gz YYRLRTHXUAXLCP-AWEZNQCLSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000037233737 173052950 /nfs/dbraw/zinc/05/29/50/173052950.db2.gz IIUSCPHTVLSQOF-MRXNPFEDSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830180 419376442 /nfs/dbraw/zinc/37/64/42/419376442.db2.gz MTFXPGGLIJTKNF-RHSMWYFYSA-N 2 1 262.441 3.338 20 30 CGEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658114935 419588279 /nfs/dbraw/zinc/58/82/79/419588279.db2.gz SKTDYOFJMSABFP-GBESFXJTSA-N 2 1 284.447 3.453 20 30 CGEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305511 263107696 /nfs/dbraw/zinc/10/76/96/263107696.db2.gz LHXNYXWLZSEIHF-MSOLQXFVSA-N 2 1 288.435 3.004 20 30 CGEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305511 263107697 /nfs/dbraw/zinc/10/76/97/263107697.db2.gz LHXNYXWLZSEIHF-MSOLQXFVSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000161510551 264288331 /nfs/dbraw/zinc/28/83/31/264288331.db2.gz LKQXFZMWMOTOAR-VYDXJSESSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000161510551 264288333 /nfs/dbraw/zinc/28/83/33/264288333.db2.gz LKQXFZMWMOTOAR-VYDXJSESSA-N 2 1 288.435 3.070 20 30 CGEDMP C[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335750575 277031531 /nfs/dbraw/zinc/03/15/31/277031531.db2.gz IGKAPSHHVGWRTN-SFHVURJKSA-N 2 1 283.419 3.010 20 30 CGEDMP N#Cc1cccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000551816603 289135334 /nfs/dbraw/zinc/13/53/34/289135334.db2.gz BKSZAAOWDCIDNR-UHFFFAOYSA-N 2 1 295.430 3.011 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414715965 328216492 /nfs/dbraw/zinc/21/64/92/328216492.db2.gz XZSWVHHDLJFSOI-RDJZCZTQSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414694440 328214479 /nfs/dbraw/zinc/21/44/79/328214479.db2.gz SVQXVDIOBZNIEI-DOTOQJQBSA-N 2 1 288.435 3.071 20 30 CGEDMP C[C@H](CCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276361001 328218106 /nfs/dbraw/zinc/21/81/06/328218106.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276361001 328218107 /nfs/dbraw/zinc/21/81/07/328218107.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276361001 328218108 /nfs/dbraw/zinc/21/81/08/328218108.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 2 1 285.435 3.133 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000277340338 328221139 /nfs/dbraw/zinc/22/11/39/328221139.db2.gz WBJRYIRNROAWQY-QGZVFWFLSA-N 2 1 299.462 3.404 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000535082261 328385597 /nfs/dbraw/zinc/38/55/97/328385597.db2.gz VUJHJPHREJHJLW-UHFFFAOYSA-N 2 1 279.472 3.369 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146216 330121740 /nfs/dbraw/zinc/12/17/40/330121740.db2.gz ZORLFDVCKZOYOH-APWZRJJASA-N 2 1 296.458 3.411 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647732 330145242 /nfs/dbraw/zinc/14/52/42/330145242.db2.gz KWGAYKKUYYSTNY-JQHSSLGASA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647732 330145243 /nfs/dbraw/zinc/14/52/43/330145243.db2.gz KWGAYKKUYYSTNY-JQHSSLGASA-N 2 1 270.420 3.041 20 30 CGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330460 330342113 /nfs/dbraw/zinc/34/21/13/330342113.db2.gz QRCJZSSKHZLWKA-KANFNMMFSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330460 330342114 /nfs/dbraw/zinc/34/21/14/330342114.db2.gz QRCJZSSKHZLWKA-KANFNMMFSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CCCC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000117883408 330366290 /nfs/dbraw/zinc/36/62/90/330366290.db2.gz JSKBVVKBBJPRNR-UHFFFAOYSA-N 2 1 252.446 3.397 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449382313 330921057 /nfs/dbraw/zinc/92/10/57/330921057.db2.gz BYODHDNDMUUOBW-BBWFWOEESA-N 2 1 277.456 3.169 20 30 CGEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000490874725 332123582 /nfs/dbraw/zinc/12/35/82/332123582.db2.gz NUTGOLXBDWKPOX-UHFFFAOYSA-N 2 1 273.424 3.240 20 30 CGEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000490874725 332123583 /nfs/dbraw/zinc/12/35/83/332123583.db2.gz NUTGOLXBDWKPOX-UHFFFAOYSA-N 2 1 273.424 3.240 20 30 CGEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309789941 333049422 /nfs/dbraw/zinc/04/94/22/333049422.db2.gz OIUZWQSGKNUJRC-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184348899 333127311 /nfs/dbraw/zinc/12/73/11/333127311.db2.gz FEKMPKYXWFBDSB-OAHLLOKOSA-N 2 1 273.424 3.081 20 30 CGEDMP CCN1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135114954 334115972 /nfs/dbraw/zinc/11/59/72/334115972.db2.gz DBZACSUZZXWHKQ-UHFFFAOYSA-N 2 1 299.462 3.404 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135114954 334115973 /nfs/dbraw/zinc/11/59/73/334115973.db2.gz DBZACSUZZXWHKQ-UHFFFAOYSA-N 2 1 299.462 3.404 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912236 334321814 /nfs/dbraw/zinc/32/18/14/334321814.db2.gz VNLBSKPJSNWHLK-CVEARBPZSA-N 2 1 277.456 3.313 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000152939058 334527735 /nfs/dbraw/zinc/52/77/35/334527735.db2.gz QCNAOPLPSUGPHY-AWEZNQCLSA-N 2 1 278.465 3.309 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000152967293 334532429 /nfs/dbraw/zinc/53/24/29/334532429.db2.gz VAIUFUFXOZPHIW-LJQANCHMSA-N 2 1 284.447 3.174 20 30 CGEDMP C=CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931394 527233921 /nfs/dbraw/zinc/23/39/21/527233921.db2.gz LSVPNURILPFCEE-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000924765368 620731340 /nfs/dbraw/zinc/73/13/40/620731340.db2.gz LTODGBKCCLPHIS-KFWWJZLASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000924765368 620731341 /nfs/dbraw/zinc/73/13/41/620731341.db2.gz LTODGBKCCLPHIS-KFWWJZLASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380030 619817493 /nfs/dbraw/zinc/81/74/93/619817493.db2.gz XCIBOXLKRHMLEA-QAPCUYQASA-N 2 1 285.435 3.110 20 30 CGEDMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902725721 621412596 /nfs/dbraw/zinc/41/25/96/621412596.db2.gz GADMITPISLOKLX-QGZVFWFLSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@]1(C)CCCCO1 ZINC000902783187 621439783 /nfs/dbraw/zinc/43/97/83/621439783.db2.gz ZYQSSDLRGGMITI-DLBZAZTESA-N 2 1 291.439 3.075 20 30 CGEDMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1C#N ZINC000903223938 621634861 /nfs/dbraw/zinc/63/48/61/621634861.db2.gz NBDOOLAGHOJUSY-JLYLLQBASA-N 2 1 295.430 3.114 20 30 CGEDMP C#C[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839583771 626763178 /nfs/dbraw/zinc/76/31/78/626763178.db2.gz NNUOMYIKQXAVQD-INIZCTEOSA-N 2 1 270.420 3.126 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000768548077 627485943 /nfs/dbraw/zinc/48/59/43/627485943.db2.gz VXSLOIKSXHJCSF-UHFFFAOYSA-N 2 1 276.424 3.023 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000793546185 629481110 /nfs/dbraw/zinc/48/11/10/629481110.db2.gz LBXOOYWFCGHAAW-HNNXBMFYSA-N 2 1 250.430 3.363 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000815652737 631814075 /nfs/dbraw/zinc/81/40/75/631814075.db2.gz PTMJEKDKOLIXKT-ZWKOTPCHSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000815652737 631814079 /nfs/dbraw/zinc/81/40/79/631814079.db2.gz PTMJEKDKOLIXKT-ZWKOTPCHSA-N 2 1 288.410 3.007 20 30 CGEDMP C=CCC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256669 635958791 /nfs/dbraw/zinc/95/87/91/635958791.db2.gz LYKHMQFZJROAOX-QGZVFWFLSA-N 2 1 294.483 3.044 20 30 CGEDMP C#CCCCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412547 635496213 /nfs/dbraw/zinc/49/62/13/635496213.db2.gz VUDROGUJQROQIM-SJORKVTESA-N 2 1 276.468 3.423 20 30 CGEDMP C#CCCCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412545 635496836 /nfs/dbraw/zinc/49/68/36/635496836.db2.gz VUDROGUJQROQIM-IAGOWNOFSA-N 2 1 276.468 3.423 20 30 CGEDMP C#CC[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000886363735 637514311 /nfs/dbraw/zinc/51/43/11/637514311.db2.gz AIUYIUBKNNRRHE-INIZCTEOSA-N 2 1 279.387 3.026 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926781815 638811055 /nfs/dbraw/zinc/81/10/55/638811055.db2.gz ULCICPAAPJNNFV-ALOPSCKCSA-N 2 1 294.483 3.210 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929505377 638929209 /nfs/dbraw/zinc/92/92/09/638929209.db2.gz IRJXYJKEDVGIRD-UHFFFAOYSA-N 2 1 291.483 3.369 20 30 CGEDMP CCC1([NH+](C)C)CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000931472579 639158150 /nfs/dbraw/zinc/15/81/50/639158150.db2.gz VCPVOFOSWOTZLR-UHFFFAOYSA-N 2 1 299.462 3.481 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252133624 806020602 /nfs/dbraw/zinc/02/06/02/806020602.db2.gz KDMXRGHCAJRKKM-IAGOWNOFSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252136106 806022672 /nfs/dbraw/zinc/02/26/72/806022672.db2.gz MNGRVQGHHGGFOZ-MHORFTMASA-N 2 1 296.499 3.313 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382587 806630893 /nfs/dbraw/zinc/63/08/93/806630893.db2.gz WFHCAFONRIHSFF-GOSISDBHSA-N 2 1 297.446 3.325 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382587 806630898 /nfs/dbraw/zinc/63/08/98/806630898.db2.gz WFHCAFONRIHSFF-GOSISDBHSA-N 2 1 297.446 3.325 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255385093 806631183 /nfs/dbraw/zinc/63/11/83/806631183.db2.gz DSJRDVZUKPTORB-GOSISDBHSA-N 2 1 285.435 3.325 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001255971241 806801987 /nfs/dbraw/zinc/80/19/87/806801987.db2.gz HHJXFFPAGRDQLH-OAHLLOKOSA-N 2 1 273.424 3.110 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255971241 806801996 /nfs/dbraw/zinc/80/19/96/806801996.db2.gz HHJXFFPAGRDQLH-OAHLLOKOSA-N 2 1 273.424 3.110 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026380 806806751 /nfs/dbraw/zinc/80/67/51/806806751.db2.gz SKGKJAVWLNNRFA-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872103033 800536648 /nfs/dbraw/zinc/53/66/48/800536648.db2.gz WPALYJIBVKQUQC-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001256620843 806928641 /nfs/dbraw/zinc/92/86/41/806928641.db2.gz FGRRAXZWWNQLOV-NPYXIHBLSA-N 2 1 256.393 3.129 20 30 CGEDMP C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001256620843 806928644 /nfs/dbraw/zinc/92/86/44/806928644.db2.gz FGRRAXZWWNQLOV-NPYXIHBLSA-N 2 1 256.393 3.129 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC001138547145 803963876 /nfs/dbraw/zinc/96/38/76/803963876.db2.gz FXNVBLQIPFBQMD-UHFFFAOYSA-N 2 1 294.402 3.306 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[NH2+][C@@H]1C ZINC001245981094 804094044 /nfs/dbraw/zinc/09/40/44/804094044.db2.gz FSAHRENFFYDNSA-IXDOHACOSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246014750 804098239 /nfs/dbraw/zinc/09/82/39/804098239.db2.gz CUVNQLVKBPBSGP-DLBZAZTESA-N 2 1 284.488 3.029 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023622 804100151 /nfs/dbraw/zinc/10/01/51/804100151.db2.gz SHJVUVQPYHTKIZ-IRXDYDNUSA-N 2 1 282.472 3.077 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001246048207 804105011 /nfs/dbraw/zinc/10/50/11/804105011.db2.gz YPKYTAFZPVOLDY-DLBZAZTESA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CCC([NH2+]CC)CC1 ZINC001246055691 804105104 /nfs/dbraw/zinc/10/51/04/804105104.db2.gz NJTXJVODPKPZGX-KRWDZBQOSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246302028 804267837 /nfs/dbraw/zinc/26/78/37/804267837.db2.gz ZVECQYXXCOELFC-YESZJQIVSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](CC)CCCCC ZINC001246306380 804269932 /nfs/dbraw/zinc/26/99/32/804269932.db2.gz WLKNJXKOJPWFJU-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](CC)CCCCC ZINC001246311744 804273641 /nfs/dbraw/zinc/27/36/41/804273641.db2.gz LYUZQJMBDMNENR-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C[C@]1([NH3+])CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528981 804380909 /nfs/dbraw/zinc/38/09/09/804380909.db2.gz IUNWBQLTNQUIMS-ABHNRTSZSA-N 2 1 283.419 3.008 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC4(C3)CC[NH2+]CC4)C[C@H](C1)C2 ZINC001246641433 804469251 /nfs/dbraw/zinc/46/92/51/804469251.db2.gz ZVTHYIXATXPMBQ-SJPCQFCGSA-N 2 1 274.452 3.197 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643552 804470320 /nfs/dbraw/zinc/47/03/20/804470320.db2.gz PCJNRTZLBGXOMW-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246665168 804486613 /nfs/dbraw/zinc/48/66/13/804486613.db2.gz SZPSLEYJGMNFFW-JONQDZQNSA-N 2 1 252.446 3.405 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)C[C@@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246843035 804551576 /nfs/dbraw/zinc/55/15/76/804551576.db2.gz SPXHAYQYVNCNDP-VPSFDDGASA-N 2 1 262.441 3.053 20 30 CGEDMP CC[C@@H]1CC([N@@H+](C)Cc2cccc(C#N)c2)C[C@@H](CC)[NH2+]1 ZINC001246907204 804592131 /nfs/dbraw/zinc/59/21/31/804592131.db2.gz IPIDIYFQQOOPMB-IAGOWNOFSA-N 2 1 285.435 3.299 20 30 CGEDMP CCCC[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908767 804593680 /nfs/dbraw/zinc/59/36/80/804593680.db2.gz MNEMSEIOTBMEFR-MSOLQXFVSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908767 804593683 /nfs/dbraw/zinc/59/36/83/804593683.db2.gz MNEMSEIOTBMEFR-MSOLQXFVSA-N 2 1 285.435 3.301 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246949346 804616916 /nfs/dbraw/zinc/61/69/16/804616916.db2.gz OSSMGXQZSXKAPN-KBPBESRZSA-N 2 1 250.430 3.336 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CCC)C[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246976509 804624198 /nfs/dbraw/zinc/62/41/98/804624198.db2.gz QWFYVBRKXVRWBH-HRBLRVMOSA-N 2 1 276.468 3.443 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001258727570 807574518 /nfs/dbraw/zinc/57/45/18/807574518.db2.gz GUIOMTFGJAYOPX-CQSZACIVSA-N 2 1 273.424 3.284 20 30 CGEDMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@H](C#N)CC2)CC1(C)C ZINC001171640017 808111250 /nfs/dbraw/zinc/11/12/50/808111250.db2.gz ZEXYNSDPZGTJJI-AWEZNQCLSA-N 2 1 277.456 3.263 20 30 CGEDMP N#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074056 808170841 /nfs/dbraw/zinc/17/08/41/808170841.db2.gz TVWBDBSUMJHMAP-LDLYASANSA-N 2 1 297.446 3.465 20 30 CGEDMP C=CCOC1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC001173311957 808606138 /nfs/dbraw/zinc/60/61/38/808606138.db2.gz SMWBZCSKJKYFER-UHFFFAOYSA-N 2 1 282.472 3.209 20 30 CGEDMP CC1(C#N)CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001173593847 808650285 /nfs/dbraw/zinc/65/02/85/808650285.db2.gz WROPNWPYHKGSOW-KLAILNCOSA-N 2 1 277.456 3.300 20 30 CGEDMP N#CCC[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001277939084 809107374 /nfs/dbraw/zinc/10/73/74/809107374.db2.gz MTTSNTOKPRYYNK-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277939084 809107376 /nfs/dbraw/zinc/10/73/76/809107376.db2.gz MTTSNTOKPRYYNK-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC001202602580 812132831 /nfs/dbraw/zinc/13/28/31/812132831.db2.gz GVAFVBOKDSNFHE-UHFFFAOYSA-N 2 1 298.352 3.059 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC001202602580 812132835 /nfs/dbraw/zinc/13/28/35/812132835.db2.gz GVAFVBOKDSNFHE-UHFFFAOYSA-N 2 1 298.352 3.059 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203760551 812456966 /nfs/dbraw/zinc/45/69/66/812456966.db2.gz LZEZZFITELNUEQ-IBGZPJMESA-N 2 1 297.446 3.399 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203760551 812456972 /nfs/dbraw/zinc/45/69/72/812456972.db2.gz LZEZZFITELNUEQ-IBGZPJMESA-N 2 1 297.446 3.399 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603366 813019433 /nfs/dbraw/zinc/01/94/33/813019433.db2.gz ORHSMGBVXBABIQ-DOTOQJQBSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206022855 813168610 /nfs/dbraw/zinc/16/86/10/813168610.db2.gz DELQCMRJQPOOBW-DOMZBBRYSA-N 2 1 291.826 3.018 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC001206047269 813180997 /nfs/dbraw/zinc/18/09/97/813180997.db2.gz FSRNFMQXYJSNED-SJORKVTESA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC001206047269 813181002 /nfs/dbraw/zinc/18/10/02/813181002.db2.gz FSRNFMQXYJSNED-SJORKVTESA-N 2 1 264.457 3.136 20 30 CGEDMP C[NH+]1CCC(C)(C[N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001208099830 813693240 /nfs/dbraw/zinc/69/32/40/813693240.db2.gz AWMTUTMPUYUYSP-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+]1CCC(C)(C[N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001208099830 813693243 /nfs/dbraw/zinc/69/32/43/813693243.db2.gz AWMTUTMPUYUYSP-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164179 813953610 /nfs/dbraw/zinc/95/36/10/813953610.db2.gz UINCKMVOFJTCSV-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164179 813953612 /nfs/dbraw/zinc/95/36/12/813953612.db2.gz UINCKMVOFJTCSV-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164179 813953617 /nfs/dbraw/zinc/95/36/17/813953617.db2.gz UINCKMVOFJTCSV-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222141724 816358318 /nfs/dbraw/zinc/35/83/18/816358318.db2.gz RFBNFOWMEVZTCX-INIZCTEOSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235255176 819051570 /nfs/dbraw/zinc/05/15/70/819051570.db2.gz CZDGMESBVJWNPA-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225694 819391510 /nfs/dbraw/zinc/39/15/10/819391510.db2.gz CANMYVVIHZAILI-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](C)C1(C)CC[NH2+]CC1 ZINC001236225694 819391513 /nfs/dbraw/zinc/39/15/13/819391513.db2.gz CANMYVVIHZAILI-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP CCc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1C#N ZINC001236605440 819550536 /nfs/dbraw/zinc/55/05/36/819550536.db2.gz NNQPFDRJIPWVHN-MRXNPFEDSA-N 2 1 297.446 3.085 20 30 CGEDMP CCc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1C#N ZINC001238774933 820115301 /nfs/dbraw/zinc/11/53/01/820115301.db2.gz NPMWCNOZKYUBMM-UHFFFAOYSA-N 2 1 285.435 3.038 20 30 CGEDMP CCc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1C#N ZINC001238774933 820115306 /nfs/dbraw/zinc/11/53/06/820115306.db2.gz NPMWCNOZKYUBMM-UHFFFAOYSA-N 2 1 285.435 3.038 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307476955 932957858 /nfs/dbraw/zinc/95/78/58/932957858.db2.gz IKYZLDVCXNBKEN-BZSNNMDCSA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307476955 932957862 /nfs/dbraw/zinc/95/78/62/932957862.db2.gz IKYZLDVCXNBKEN-BZSNNMDCSA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001307476955 932957867 /nfs/dbraw/zinc/95/78/67/932957867.db2.gz IKYZLDVCXNBKEN-BZSNNMDCSA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001307476955 932957872 /nfs/dbraw/zinc/95/78/72/932957872.db2.gz IKYZLDVCXNBKEN-BZSNNMDCSA-N 2 1 276.468 3.375 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC001308792777 933178036 /nfs/dbraw/zinc/17/80/36/933178036.db2.gz KPSSCZIJCKLMBZ-INIZCTEOSA-N 2 1 297.446 3.034 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC001308792777 933178040 /nfs/dbraw/zinc/17/80/40/933178040.db2.gz KPSSCZIJCKLMBZ-INIZCTEOSA-N 2 1 297.446 3.034 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001474622074 937871036 /nfs/dbraw/zinc/87/10/36/937871036.db2.gz NSFLXBTUPGRSAN-OAHLLOKOSA-N 2 1 250.430 3.006 20 30 CGEDMP C=C(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244631 /nfs/dbraw/zinc/24/46/31/938244631.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244632 /nfs/dbraw/zinc/24/46/32/938244632.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244633 /nfs/dbraw/zinc/24/46/33/938244633.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244634 /nfs/dbraw/zinc/24/46/34/938244634.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC001560245880 938249138 /nfs/dbraw/zinc/24/91/38/938249138.db2.gz VZYNQCIDJMSIBE-JKSUJKDBSA-N 2 1 252.446 3.440 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651700584 398271175 /nfs/dbraw/zinc/27/11/75/398271175.db2.gz LJXUPYYQBCPEMW-UHFFFAOYSA-N 2 1 284.447 3.305 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000091593658 345818819 /nfs/dbraw/zinc/81/88/19/345818819.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000091593658 345818821 /nfs/dbraw/zinc/81/88/21/345818821.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000091593658 345818825 /nfs/dbraw/zinc/81/88/25/345818825.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 2 1 250.430 3.147 20 30 CGEDMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661275 347102017 /nfs/dbraw/zinc/10/20/17/347102017.db2.gz VXLZHNGMSLSZNJ-HZPDHXFCSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000561983379 346659709 /nfs/dbraw/zinc/65/97/09/346659709.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000561983379 346659711 /nfs/dbraw/zinc/65/97/11/346659711.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000561983379 346659712 /nfs/dbraw/zinc/65/97/12/346659712.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000561983379 346659714 /nfs/dbraw/zinc/65/97/14/346659714.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000593714872 347106817 /nfs/dbraw/zinc/10/68/17/347106817.db2.gz FEJNWWGAWIRDRB-GOSISDBHSA-N 2 1 285.435 3.113 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000593714872 347106820 /nfs/dbraw/zinc/10/68/20/347106820.db2.gz FEJNWWGAWIRDRB-GOSISDBHSA-N 2 1 285.435 3.113 20 30 CGEDMP N#Cc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000595330118 347293356 /nfs/dbraw/zinc/29/33/56/347293356.db2.gz ZFWUXOVXMXIUDD-LJQANCHMSA-N 2 1 297.446 3.051 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C#N ZINC000599303352 347733445 /nfs/dbraw/zinc/73/34/45/347733445.db2.gz BKAIBVRUFXQJGQ-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000599303352 347733451 /nfs/dbraw/zinc/73/34/51/347733451.db2.gz BKAIBVRUFXQJGQ-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000599303352 347733456 /nfs/dbraw/zinc/73/34/56/347733456.db2.gz BKAIBVRUFXQJGQ-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C#N ZINC000599303352 347733459 /nfs/dbraw/zinc/73/34/59/347733459.db2.gz BKAIBVRUFXQJGQ-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP CCCn1ccnc1CCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602661008 348003601 /nfs/dbraw/zinc/00/36/01/348003601.db2.gz AROJFKMDEIOPPG-OAHLLOKOSA-N 2 1 276.428 3.097 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C)CCC#N ZINC000602661008 348003602 /nfs/dbraw/zinc/00/36/02/348003602.db2.gz AROJFKMDEIOPPG-OAHLLOKOSA-N 2 1 276.428 3.097 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602661008 348003604 /nfs/dbraw/zinc/00/36/04/348003604.db2.gz AROJFKMDEIOPPG-OAHLLOKOSA-N 2 1 276.428 3.097 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602727644 348019292 /nfs/dbraw/zinc/01/92/92/348019292.db2.gz FWDBRJKPYPSNLX-ZHALLVOQSA-N 2 1 299.462 3.284 20 30 CGEDMP C=CC[C@H]1CC[NH+](CCC[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703075 350200184 /nfs/dbraw/zinc/20/01/84/350200184.db2.gz QALVPJBJDFEZNY-IRXDYDNUSA-N 2 1 262.441 3.173 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631685137 351118953 /nfs/dbraw/zinc/11/89/53/351118953.db2.gz WTPWDEBQHSWIQR-KRWDZBQOSA-N 2 1 294.483 3.212 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000425530424 236257784 /nfs/dbraw/zinc/25/77/84/236257784.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000425530424 236257787 /nfs/dbraw/zinc/25/77/87/236257787.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000425530424 236257789 /nfs/dbraw/zinc/25/77/89/236257789.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948372 189016063 /nfs/dbraw/zinc/01/60/63/189016063.db2.gz BQYHAIWGDPYDIW-CQSZACIVSA-N 2 1 291.464 3.221 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037236963 369079126 /nfs/dbraw/zinc/07/91/26/369079126.db2.gz RCUDEBWCTJLWIG-AWEZNQCLSA-N 2 1 271.408 3.083 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076000675 369925322 /nfs/dbraw/zinc/92/53/22/369925322.db2.gz QZIOHLYQDFGTMT-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076000675 369925326 /nfs/dbraw/zinc/92/53/26/369925326.db2.gz QZIOHLYQDFGTMT-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP C=C(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109705 369931110 /nfs/dbraw/zinc/93/11/10/369931110.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=C(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109705 369931113 /nfs/dbraw/zinc/93/11/13/369931113.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=C(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109705 369931117 /nfs/dbraw/zinc/93/11/17/369931117.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000423205078 372029251 /nfs/dbraw/zinc/02/92/51/372029251.db2.gz VGARUKKSGUJIHU-ZDUSSCGKSA-N 2 1 289.398 3.400 20 30 CGEDMP C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426565597 372164890 /nfs/dbraw/zinc/16/48/90/372164890.db2.gz BQTXTAPDSZXVOQ-MRXNPFEDSA-N 2 1 282.391 3.116 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161562962 372336828 /nfs/dbraw/zinc/33/68/28/372336828.db2.gz ZGHNCDYOZQHISE-UHFFFAOYSA-N 2 1 296.418 3.364 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161562962 372336837 /nfs/dbraw/zinc/33/68/37/372336837.db2.gz ZGHNCDYOZQHISE-UHFFFAOYSA-N 2 1 296.418 3.364 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177094 /nfs/dbraw/zinc/17/70/94/217177094.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177095 /nfs/dbraw/zinc/17/70/95/217177095.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177097 /nfs/dbraw/zinc/17/70/97/217177097.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177099 /nfs/dbraw/zinc/17/70/99/217177099.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432789343 372572807 /nfs/dbraw/zinc/57/28/07/372572807.db2.gz RJGZNMQOCJIZTH-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432789343 372572815 /nfs/dbraw/zinc/57/28/15/372572815.db2.gz RJGZNMQOCJIZTH-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442773368 373075670 /nfs/dbraw/zinc/07/56/70/373075670.db2.gz CJDCJZAXHJGYCI-CRAIPNDOSA-N 2 1 285.435 3.309 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000334397085 374713452 /nfs/dbraw/zinc/71/34/52/374713452.db2.gz WMEQRTKYANIZBL-HNNXBMFYSA-N 2 1 283.419 3.179 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000510735433 375787810 /nfs/dbraw/zinc/78/78/10/375787810.db2.gz ORJLJSHVUVTIAH-DLBZAZTESA-N 2 1 262.441 3.195 20 30 CGEDMP CCC(CC)C[N@@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000570055334 377532998 /nfs/dbraw/zinc/53/29/98/377532998.db2.gz MWKUMHFDAQOUGG-UHFFFAOYSA-N 2 1 276.428 3.005 20 30 CGEDMP CCC(CC)C[N@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000570055334 377533001 /nfs/dbraw/zinc/53/30/01/377533001.db2.gz MWKUMHFDAQOUGG-UHFFFAOYSA-N 2 1 276.428 3.005 20 30 CGEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000421357037 249126241 /nfs/dbraw/zinc/12/62/41/249126241.db2.gz MSOBAGRNTRRDGC-UHFFFAOYSA-N 2 1 289.398 3.005 20 30 CGEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000421357037 249126245 /nfs/dbraw/zinc/12/62/45/249126245.db2.gz MSOBAGRNTRRDGC-UHFFFAOYSA-N 2 1 289.398 3.005 20 30 CGEDMP C=CCC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106665 378225455 /nfs/dbraw/zinc/22/54/55/378225455.db2.gz AYDDIIXCLWMPHE-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccco1 ZINC000580106665 378225459 /nfs/dbraw/zinc/22/54/59/378225459.db2.gz AYDDIIXCLWMPHE-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000580106665 378225467 /nfs/dbraw/zinc/22/54/67/378225467.db2.gz AYDDIIXCLWMPHE-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106665 378225476 /nfs/dbraw/zinc/22/54/76/378225476.db2.gz AYDDIIXCLWMPHE-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCOCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348056193 378769970 /nfs/dbraw/zinc/76/99/70/378769970.db2.gz NVYCECKIPOKUJT-OAHLLOKOSA-N 2 1 299.418 3.424 20 30 CGEDMP C[N@@H+](CCCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375761683 379509406 /nfs/dbraw/zinc/50/94/06/379509406.db2.gz IJUFFZYGGCHBHN-XYPWUTKMSA-N 2 1 277.456 3.263 20 30 CGEDMP C[NH+](CCCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375761683 379509411 /nfs/dbraw/zinc/50/94/11/379509411.db2.gz IJUFFZYGGCHBHN-XYPWUTKMSA-N 2 1 277.456 3.263 20 30 CGEDMP C[NH+](CCCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375761683 379509415 /nfs/dbraw/zinc/50/94/15/379509415.db2.gz IJUFFZYGGCHBHN-XYPWUTKMSA-N 2 1 277.456 3.263 20 30 CGEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000290482640 392447416 /nfs/dbraw/zinc/44/74/16/392447416.db2.gz VKHSTEFCCAYIER-UHFFFAOYSA-N 2 1 282.431 3.165 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078522 392946026 /nfs/dbraw/zinc/94/60/26/392946026.db2.gz DAJBXPMWTXSQOB-GDAAHCPNSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499224 393672276 /nfs/dbraw/zinc/67/22/76/393672276.db2.gz IZKBHECXLHQHOC-IAGOWNOFSA-N 2 1 271.408 3.116 20 30 CGEDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000453415195 394240395 /nfs/dbraw/zinc/24/03/95/394240395.db2.gz XGDCBAYZZDPRKT-AWEZNQCLSA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000078453711 165133245 /nfs/dbraw/zinc/13/32/45/165133245.db2.gz LZNZMVIWNCRFLO-HOTGVXAUSA-N 2 1 285.435 3.016 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877967 225171187 /nfs/dbraw/zinc/17/11/87/225171187.db2.gz CRTSFKWTVFFYMR-MRXNPFEDSA-N 2 1 297.446 3.427 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000106246152 260095019 /nfs/dbraw/zinc/09/50/19/260095019.db2.gz RGTLVZNLKLNTIL-UHFFFAOYSA-N 2 1 258.409 3.125 20 30 CGEDMP C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1CCCC[NH+]1C ZINC000174877317 261201345 /nfs/dbraw/zinc/20/13/45/261201345.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CCCC(C)(C)C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000174877317 261201347 /nfs/dbraw/zinc/20/13/47/261201347.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CCCC(C)(C)C#N)CC[C@H]1CCCC[N@H+]1C ZINC000174877317 261201349 /nfs/dbraw/zinc/20/13/49/261201349.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414691085 263032871 /nfs/dbraw/zinc/03/28/71/263032871.db2.gz NZSHZMWDQHFQHL-CABCVRRESA-N 2 1 276.399 3.202 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246252068 278306091 /nfs/dbraw/zinc/30/60/91/278306091.db2.gz WICICPABVSRVRC-WBVHZDCISA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246252068 278306092 /nfs/dbraw/zinc/30/60/92/278306092.db2.gz WICICPABVSRVRC-WBVHZDCISA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926769 290245679 /nfs/dbraw/zinc/24/56/79/290245679.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926769 290245682 /nfs/dbraw/zinc/24/56/82/290245682.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292926769 290245683 /nfs/dbraw/zinc/24/56/83/290245683.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926769 290245685 /nfs/dbraw/zinc/24/56/85/290245685.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 2 1 283.419 3.037 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567088118 322149885 /nfs/dbraw/zinc/14/98/85/322149885.db2.gz YKPLSHOCOLDRBV-LJQANCHMSA-N 2 1 297.446 3.400 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000562041402 327441927 /nfs/dbraw/zinc/44/19/27/327441927.db2.gz LTZPXKHEIRVMNF-CVEARBPZSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990901 330163018 /nfs/dbraw/zinc/16/30/18/330163018.db2.gz AIZIYRLHRNHNIL-BHYGNILZSA-N 2 1 258.409 3.424 20 30 CGEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595056 330386594 /nfs/dbraw/zinc/38/65/94/330386594.db2.gz BVSVUJLSOLOAOD-SJORKVTESA-N 2 1 294.483 3.212 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459730524 331296328 /nfs/dbraw/zinc/29/63/28/331296328.db2.gz KMRKIXAAJUXKIR-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184348912 333127244 /nfs/dbraw/zinc/12/72/44/333127244.db2.gz FEKMPKYXWFBDSB-HNNXBMFYSA-N 2 1 273.424 3.081 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391940 334299781 /nfs/dbraw/zinc/29/97/81/334299781.db2.gz DVBORSGEXKXQMJ-WJFTUGDTSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391940 334299782 /nfs/dbraw/zinc/29/97/82/334299782.db2.gz DVBORSGEXKXQMJ-WJFTUGDTSA-N 2 1 297.446 3.179 20 30 CGEDMP C#CC[NH+]1CCC(Nc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000895812198 619889729 /nfs/dbraw/zinc/88/97/29/619889729.db2.gz OAQYOJVLHOYDHK-UHFFFAOYSA-N 2 1 279.387 3.053 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687655 620562992 /nfs/dbraw/zinc/56/29/92/620562992.db2.gz XPUYMFIFILKQEI-OWCLPIDISA-N 2 1 279.472 3.272 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@]1(C)CCCCO1 ZINC000902753657 621425903 /nfs/dbraw/zinc/42/59/03/621425903.db2.gz RPNUASOPEHLLLV-OKZBNKHCSA-N 2 1 294.483 3.212 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761551 621430000 /nfs/dbraw/zinc/43/00/00/621430000.db2.gz SJGMDLVAMZDDRB-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CCC1 ZINC000903752062 621800435 /nfs/dbraw/zinc/80/04/35/621800435.db2.gz QMFYJUMBWBQDDP-IAGOWNOFSA-N 2 1 289.467 3.315 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535698 625653790 /nfs/dbraw/zinc/65/37/90/625653790.db2.gz LCQGDTLQKMQLCT-AWEZNQCLSA-N 2 1 291.464 3.221 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921538131 625656883 /nfs/dbraw/zinc/65/68/83/625656883.db2.gz UIZMWYPRIKGXFV-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921538131 625656895 /nfs/dbraw/zinc/65/68/95/625656895.db2.gz UIZMWYPRIKGXFV-OKILXGFUSA-N 2 1 291.464 3.077 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1 ZINC000809626041 630766605 /nfs/dbraw/zinc/76/66/05/630766605.db2.gz WLJGWTDHGOXZLY-UHFFFAOYSA-N 2 1 272.436 3.266 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000817964691 632259898 /nfs/dbraw/zinc/25/98/98/632259898.db2.gz FFUDZXPEGKKNJU-LRDDRELGSA-N 2 1 294.826 3.206 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866260428 633048892 /nfs/dbraw/zinc/04/88/92/633048892.db2.gz GWMOMVBLMPNPBX-INIZCTEOSA-N 2 1 287.451 3.033 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834607559 634197196 /nfs/dbraw/zinc/19/71/96/634197196.db2.gz ZBWXMRDGOXOVOZ-AQNXPRMDSA-N 2 1 296.458 3.433 20 30 CGEDMP C[N@H+]1CC[C@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576146 635814286 /nfs/dbraw/zinc/81/42/86/635814286.db2.gz QKNFUMCNTVZMDS-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576146 635814292 /nfs/dbraw/zinc/81/42/92/635814292.db2.gz QKNFUMCNTVZMDS-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576146 635814298 /nfs/dbraw/zinc/81/42/98/635814298.db2.gz QKNFUMCNTVZMDS-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576146 635814301 /nfs/dbraw/zinc/81/43/01/635814301.db2.gz QKNFUMCNTVZMDS-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576146 635814308 /nfs/dbraw/zinc/81/43/08/635814308.db2.gz QKNFUMCNTVZMDS-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000883167508 636563727 /nfs/dbraw/zinc/56/37/27/636563727.db2.gz ZQYGWCNOPMZVKP-GOSISDBHSA-N 2 1 272.436 3.248 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848346 638956788 /nfs/dbraw/zinc/95/67/88/638956788.db2.gz QYYFJZVXULXCBR-PKOBYXMFSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848346 638956791 /nfs/dbraw/zinc/95/67/91/638956791.db2.gz QYYFJZVXULXCBR-PKOBYXMFSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000929848346 638956794 /nfs/dbraw/zinc/95/67/94/638956794.db2.gz QYYFJZVXULXCBR-PKOBYXMFSA-N 2 1 297.446 3.091 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001252141596 806025720 /nfs/dbraw/zinc/02/57/20/806025720.db2.gz MNCWNPMTPINIDU-OAHLLOKOSA-N 2 1 281.444 3.043 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001253248100 806195116 /nfs/dbraw/zinc/19/51/16/806195116.db2.gz QFNKUMMAWMGOKC-ROUUACIJSA-N 2 1 296.499 3.195 20 30 CGEDMP CCCCCCCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253390762 806214403 /nfs/dbraw/zinc/21/44/03/806214403.db2.gz AXWCFSQQUQWJFS-OAHLLOKOSA-N 2 1 272.477 3.028 20 30 CGEDMP N#C[C@H]1CC[C@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254655289 806476703 /nfs/dbraw/zinc/47/67/03/806476703.db2.gz CQICYENHXVJAPK-OTRWWLKZSA-N 2 1 275.440 3.193 20 30 CGEDMP C=CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144070 806553317 /nfs/dbraw/zinc/55/33/17/806553317.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144070 806553320 /nfs/dbraw/zinc/55/33/20/806553320.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144070 806553323 /nfs/dbraw/zinc/55/33/23/806553323.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000380750480 799366765 /nfs/dbraw/zinc/36/67/65/799366765.db2.gz BCCNTALTOLOGIN-UHFFFAOYSA-N 2 1 278.465 3.090 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000380750480 799366773 /nfs/dbraw/zinc/36/67/73/799366773.db2.gz BCCNTALTOLOGIN-UHFFFAOYSA-N 2 1 278.465 3.090 20 30 CGEDMP Cc1ccc(C(=[NH2+])N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1C ZINC001256910273 807006799 /nfs/dbraw/zinc/00/67/99/807006799.db2.gz XDTOUWXYUBSMGK-KRWDZBQOSA-N 2 1 299.462 3.416 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246013339 804097621 /nfs/dbraw/zinc/09/76/21/804097621.db2.gz FQOLQYMFTJKTLH-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246013339 804097632 /nfs/dbraw/zinc/09/76/32/804097632.db2.gz FQOLQYMFTJKTLH-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246024382 804099670 /nfs/dbraw/zinc/09/96/70/804099670.db2.gz FNRDVQZGDSXAOI-QZTJIDSGSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@]1(CC)CCC[NH2+]1 ZINC001246017654 804100851 /nfs/dbraw/zinc/10/08/51/804100851.db2.gz KCZZTOTXNIWBCV-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246025270 804100857 /nfs/dbraw/zinc/10/08/57/804100857.db2.gz HCHWBPLMGSGMEM-FGTMMUONSA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052776 804104052 /nfs/dbraw/zinc/10/40/52/804104052.db2.gz OGIOXSVWBIJPRN-FGTMMUONSA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246048851 804105048 /nfs/dbraw/zinc/10/50/48/804105048.db2.gz NZXKEMXXJYRRFT-MSOLQXFVSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246068619 804108493 /nfs/dbraw/zinc/10/84/93/804108493.db2.gz WFIINFKXRBQJSM-YESZJQIVSA-N 2 1 282.472 3.076 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246086492 804120733 /nfs/dbraw/zinc/12/07/33/804120733.db2.gz CIYGNNWXWMGOQO-QGZVFWFLSA-N 2 1 283.504 3.010 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H]([NH3+])COC ZINC001246238102 804231008 /nfs/dbraw/zinc/23/10/08/804231008.db2.gz DJWZADKOXNPKGT-HOTGVXAUSA-N 2 1 272.477 3.325 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139706637 804260747 /nfs/dbraw/zinc/26/07/47/804260747.db2.gz CILYCCDETIDFEO-UHFFFAOYSA-N 2 1 298.434 3.203 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](CC)C[C@@H](C)CC ZINC001246313095 804276052 /nfs/dbraw/zinc/27/60/52/804276052.db2.gz RNXOBOFMUIMQBC-JYJNAYRXSA-N 2 1 298.471 3.018 20 30 CGEDMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246500697 804362069 /nfs/dbraw/zinc/36/20/69/804362069.db2.gz YCWGKCPMQWPDIQ-UJPJLTBQSA-N 2 1 297.446 3.172 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@H](C[NH3+])CC(C)C)C[C@H](C1)C2 ZINC001246503321 804363793 /nfs/dbraw/zinc/36/37/93/804363793.db2.gz KRWZXKHUPBSIHS-QXULXFAOSA-N 2 1 250.430 3.084 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246556193 804406518 /nfs/dbraw/zinc/40/65/18/804406518.db2.gz BLHJNDFYTZXOIW-GVDBMIGSSA-N 2 1 284.488 3.156 20 30 CGEDMP CC[C@H]1CC([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594499 804435313 /nfs/dbraw/zinc/43/53/13/804435313.db2.gz WCLLSYOZXCMEFJ-ROUUACIJSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@H]1CC([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594499 804435315 /nfs/dbraw/zinc/43/53/15/804435315.db2.gz WCLLSYOZXCMEFJ-ROUUACIJSA-N 2 1 297.446 3.226 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652451 804479225 /nfs/dbraw/zinc/47/92/25/804479225.db2.gz OYBBBZJLLVIGNX-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652451 804479229 /nfs/dbraw/zinc/47/92/29/804479229.db2.gz OYBBBZJLLVIGNX-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246656144 804480974 /nfs/dbraw/zinc/48/09/74/804480974.db2.gz IYKJUMQSSRIWAI-CAOSSQGBSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246767263 804500854 /nfs/dbraw/zinc/50/08/54/804500854.db2.gz BCZGLPQJJGOQKL-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP C#CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022952 807300343 /nfs/dbraw/zinc/30/03/43/807300343.db2.gz UDPRTRGKXMYWKR-ALXJQNPVSA-N 2 1 270.420 3.041 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258907119 807672119 /nfs/dbraw/zinc/67/21/19/807672119.db2.gz FWGNOKCBJYEQTA-MRXNPFEDSA-N 2 1 299.462 3.427 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171178915 808001400 /nfs/dbraw/zinc/00/14/00/808001400.db2.gz LXYYPCBLTKKOCH-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171178915 808001405 /nfs/dbraw/zinc/00/14/05/808001405.db2.gz LXYYPCBLTKKOCH-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171232717 808015354 /nfs/dbraw/zinc/01/53/54/808015354.db2.gz VXCURTSKRNDMHK-INIZCTEOSA-N 2 1 287.451 3.153 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2csc(C#N)c2)CC1(C)C ZINC001171627496 808107873 /nfs/dbraw/zinc/10/78/73/808107873.db2.gz SIIKIKDGVXNKQP-UHFFFAOYSA-N 2 1 291.464 3.361 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103136 808175040 /nfs/dbraw/zinc/17/50/40/808175040.db2.gz SIQOWAYYWUJDGY-NNZMDNLPSA-N 2 1 297.446 3.398 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001172103136 808175043 /nfs/dbraw/zinc/17/50/43/808175043.db2.gz SIQOWAYYWUJDGY-NNZMDNLPSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001172497373 808353182 /nfs/dbraw/zinc/35/31/82/808353182.db2.gz BJJJRMRHNGYKRG-IXDOHACOSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001172497373 808353189 /nfs/dbraw/zinc/35/31/89/808353189.db2.gz BJJJRMRHNGYKRG-IXDOHACOSA-N 2 1 277.456 3.408 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001172497373 808353197 /nfs/dbraw/zinc/35/31/97/808353197.db2.gz BJJJRMRHNGYKRG-IXDOHACOSA-N 2 1 277.456 3.408 20 30 CGEDMP C=CCOC1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001173326784 808613128 /nfs/dbraw/zinc/61/31/28/808613128.db2.gz QOZIGHKEXFLVTD-UHFFFAOYSA-N 2 1 289.423 3.036 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001205255503 812919472 /nfs/dbraw/zinc/91/94/72/812919472.db2.gz JPIOCCDDRRYXMK-SJORKVTESA-N 2 1 262.441 3.492 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205627642 813034484 /nfs/dbraw/zinc/03/44/84/813034484.db2.gz RFKQQNKPGGXPIT-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205638984 813039071 /nfs/dbraw/zinc/03/90/71/813039071.db2.gz UGSGTQXHZPBTIO-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012105 813165382 /nfs/dbraw/zinc/16/53/82/813165382.db2.gz IWICWMCCRVQQRZ-DOTOQJQBSA-N 2 1 288.435 3.058 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC001206047266 813180449 /nfs/dbraw/zinc/18/04/49/813180449.db2.gz FSRNFMQXYJSNED-DLBZAZTESA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC001206047266 813180452 /nfs/dbraw/zinc/18/04/52/813180452.db2.gz FSRNFMQXYJSNED-DLBZAZTESA-N 2 1 264.457 3.136 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001206326471 813290065 /nfs/dbraw/zinc/29/00/65/813290065.db2.gz OABURDPPKUTMEC-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C#Cc1cccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206590407 813367280 /nfs/dbraw/zinc/36/72/80/813367280.db2.gz LFTMSPSOFRAAIO-SFHVURJKSA-N 2 1 270.420 3.020 20 30 CGEDMP C[C@]1(C#N)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293916 813537854 /nfs/dbraw/zinc/53/78/54/813537854.db2.gz NCPIYEXVUKCBKU-LJQANCHMSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609886 813773330 /nfs/dbraw/zinc/77/33/30/813773330.db2.gz XHIDUXPAZUQRFV-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208609886 813773334 /nfs/dbraw/zinc/77/33/34/813773334.db2.gz XHIDUXPAZUQRFV-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609886 813773337 /nfs/dbraw/zinc/77/33/37/813773337.db2.gz XHIDUXPAZUQRFV-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208609886 813773343 /nfs/dbraw/zinc/77/33/43/813773343.db2.gz XHIDUXPAZUQRFV-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C#CCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001209268031 813989948 /nfs/dbraw/zinc/98/99/48/813989948.db2.gz QDDAWDLDFMVDTI-UHFFFAOYSA-N 2 1 288.410 3.135 20 30 CGEDMP C#CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001209268031 813989951 /nfs/dbraw/zinc/98/99/51/813989951.db2.gz QDDAWDLDFMVDTI-UHFFFAOYSA-N 2 1 288.410 3.135 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209440668 814040422 /nfs/dbraw/zinc/04/04/22/814040422.db2.gz NSNWHXHNAZZNMQ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCCCCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001209446043 814044690 /nfs/dbraw/zinc/04/46/90/814044690.db2.gz PLUQIAAKOHNECA-UHFFFAOYSA-N 2 1 295.515 3.082 20 30 CGEDMP C=CCCCC[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595536 816474329 /nfs/dbraw/zinc/47/43/29/816474329.db2.gz CDQRFTLFHWROJG-QGZVFWFLSA-N 2 1 270.420 3.032 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1C ZINC001233083222 818520459 /nfs/dbraw/zinc/52/04/59/818520459.db2.gz AWDJVCIFFOUWBW-UHFFFAOYSA-N 2 1 273.424 3.030 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001234994742 818971473 /nfs/dbraw/zinc/97/14/73/818971473.db2.gz SSJHRXVCUFIERJ-MSOLQXFVSA-N 2 1 274.452 3.365 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042256 818988299 /nfs/dbraw/zinc/98/82/99/818988299.db2.gz XASIJKTVUKZURB-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235161483 819019139 /nfs/dbraw/zinc/01/91/39/819019139.db2.gz RWUKZTPOEPALAC-LJQANCHMSA-N 2 1 282.431 3.022 20 30 CGEDMP C=CCCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174531 819024320 /nfs/dbraw/zinc/02/43/20/819024320.db2.gz UCRXYTLDGZOZDC-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338620 819071074 /nfs/dbraw/zinc/07/10/74/819071074.db2.gz BLDKRFOWKRPSRD-MRXNPFEDSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713472 819148314 /nfs/dbraw/zinc/14/83/14/819148314.db2.gz FGGCUCXIDIZMKW-UHFFFAOYSA-N 2 1 252.446 3.444 20 30 CGEDMP C#CC[N@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235833540 819179655 /nfs/dbraw/zinc/17/96/55/819179655.db2.gz GOQCJFHBCDXFBC-PKOBYXMFSA-N 2 1 282.431 3.141 20 30 CGEDMP C#CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235833540 819179661 /nfs/dbraw/zinc/17/96/61/819179661.db2.gz GOQCJFHBCDXFBC-PKOBYXMFSA-N 2 1 282.431 3.141 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235962630 819251187 /nfs/dbraw/zinc/25/11/87/819251187.db2.gz OECZLZUVTOPMJB-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235962630 819251193 /nfs/dbraw/zinc/25/11/93/819251193.db2.gz OECZLZUVTOPMJB-KRWDZBQOSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@@H+](CC1CC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001236307860 819418601 /nfs/dbraw/zinc/41/86/01/819418601.db2.gz FGDGRTJPVQUTDJ-UHFFFAOYSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240671759 821232993 /nfs/dbraw/zinc/23/29/93/821232993.db2.gz XTTHBXPMJUIPLB-GOSISDBHSA-N 2 1 268.404 3.386 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC001308420653 933108698 /nfs/dbraw/zinc/10/86/98/933108698.db2.gz ISEAMIQYHKPCBD-UHFFFAOYSA-N 2 1 298.455 3.460 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccs2)cc1 ZINC001308420653 933108701 /nfs/dbraw/zinc/10/87/01/933108701.db2.gz ISEAMIQYHKPCBD-UHFFFAOYSA-N 2 1 298.455 3.460 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)CCCC)C1 ZINC001308796357 933179284 /nfs/dbraw/zinc/17/92/84/933179284.db2.gz PNCDBAAVPGUPBI-BZUAXINKSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)CCCC)C1 ZINC001308796357 933179288 /nfs/dbraw/zinc/17/92/88/933179288.db2.gz PNCDBAAVPGUPBI-BZUAXINKSA-N 2 1 252.446 3.441 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132798 937793720 /nfs/dbraw/zinc/79/37/20/937793720.db2.gz LPDWBQIQHNLAGR-QZTJIDSGSA-N 2 1 276.468 3.232 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132798 937793721 /nfs/dbraw/zinc/79/37/21/937793721.db2.gz LPDWBQIQHNLAGR-QZTJIDSGSA-N 2 1 276.468 3.232 20 30 CGEDMP C=C(C)[C@H]([NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001574831600 962321944 /nfs/dbraw/zinc/32/19/44/962321944.db2.gz UBSHVHFCHKBYSH-HOTGVXAUSA-N 2 1 280.362 3.171 20 30 CGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001574859807 962326356 /nfs/dbraw/zinc/32/63/56/962326356.db2.gz IZDYQRJYVMPZGJ-UKRRQHHQSA-N 2 1 270.848 3.359 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623654535 349856380 /nfs/dbraw/zinc/85/63/80/349856380.db2.gz BVMRKYJNBDFULG-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654546 349856920 /nfs/dbraw/zinc/85/69/20/349856920.db2.gz CEOLKQYWGIFPSR-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP CC[N@@H+](CCC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661277 347102139 /nfs/dbraw/zinc/10/21/39/347102139.db2.gz VXLZHNGMSLSZNJ-JKSUJKDBSA-N 2 1 277.456 3.313 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594494819 347177449 /nfs/dbraw/zinc/17/74/49/347177449.db2.gz IFJCUMVBZFADOO-INIZCTEOSA-N 2 1 297.446 3.062 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594496413 347178623 /nfs/dbraw/zinc/17/86/23/347178623.db2.gz ZSBPUGTXHJLMJN-ZWKOTPCHSA-N 2 1 297.446 3.204 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308586 347734373 /nfs/dbraw/zinc/73/43/73/347734373.db2.gz UVTLAXHXZRCAMY-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308586 347734377 /nfs/dbraw/zinc/73/43/77/347734377.db2.gz UVTLAXHXZRCAMY-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308586 347734380 /nfs/dbraw/zinc/73/43/80/347734380.db2.gz UVTLAXHXZRCAMY-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308586 347734383 /nfs/dbraw/zinc/73/43/83/347734383.db2.gz UVTLAXHXZRCAMY-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1C#N ZINC000600711644 347829237 /nfs/dbraw/zinc/82/92/37/347829237.db2.gz UEOSJWNMUSBEER-CRAIPNDOSA-N 2 1 285.435 3.206 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000602645515 347999862 /nfs/dbraw/zinc/99/98/62/347999862.db2.gz JNEUPNLKQZKPOJ-RDJZCZTQSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602545347 347979096 /nfs/dbraw/zinc/97/90/96/347979096.db2.gz POIXMRJLWZFQEF-HOTGVXAUSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602545347 347979098 /nfs/dbraw/zinc/97/90/98/347979098.db2.gz POIXMRJLWZFQEF-HOTGVXAUSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100423 189347106 /nfs/dbraw/zinc/34/71/06/189347106.db2.gz SDNDBMDEEYEZDF-MAUKXSAKSA-N 2 1 297.446 3.301 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000133114232 371227297 /nfs/dbraw/zinc/22/72/97/371227297.db2.gz UIKLBNTXNABWIZ-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000442694747 373065486 /nfs/dbraw/zinc/06/54/86/373065486.db2.gz UBIAOXHFUCUARW-OAHLLOKOSA-N 2 1 273.424 3.283 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000442694747 373065489 /nfs/dbraw/zinc/06/54/89/373065489.db2.gz UBIAOXHFUCUARW-OAHLLOKOSA-N 2 1 273.424 3.283 20 30 CGEDMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099057 373661116 /nfs/dbraw/zinc/66/11/16/373661116.db2.gz SEJWOSHBZXBMRX-UZROPOIGSA-N 2 1 291.483 3.415 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449084306 373661977 /nfs/dbraw/zinc/66/19/77/373661977.db2.gz XLIYFLQDTMYJRH-JYJNAYRXSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449084306 373661979 /nfs/dbraw/zinc/66/19/79/373661979.db2.gz XLIYFLQDTMYJRH-JYJNAYRXSA-N 2 1 250.430 3.338 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221581 375630950 /nfs/dbraw/zinc/63/09/50/375630950.db2.gz ZWWOMEZGABWLAD-NRSFXHEJSA-N 2 1 270.420 3.346 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247502065 377214803 /nfs/dbraw/zinc/21/48/03/377214803.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247502065 377214809 /nfs/dbraw/zinc/21/48/09/377214809.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247502065 377214817 /nfs/dbraw/zinc/21/48/17/377214817.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247502065 377214826 /nfs/dbraw/zinc/21/48/26/377214826.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248867782 377416330 /nfs/dbraw/zinc/41/63/30/377416330.db2.gz QHLOVRYTKBWRIU-BQJWPVKWSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248867782 377416333 /nfs/dbraw/zinc/41/63/33/377416333.db2.gz QHLOVRYTKBWRIU-BQJWPVKWSA-N 2 1 277.456 3.025 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346059492 378452391 /nfs/dbraw/zinc/45/23/91/378452391.db2.gz CLSYGGAMOZTBBL-ZDUSSCGKSA-N 2 1 289.398 3.222 20 30 CGEDMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271934259 378522358 /nfs/dbraw/zinc/52/23/58/378522358.db2.gz MLHFIDOMSNDTPV-CYBMUJFWSA-N 2 1 277.387 3.080 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346681988 378674266 /nfs/dbraw/zinc/67/42/66/378674266.db2.gz OUDDIOJCGIXEEW-MRXNPFEDSA-N 2 1 276.424 3.057 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346681988 378674272 /nfs/dbraw/zinc/67/42/72/378674272.db2.gz OUDDIOJCGIXEEW-MRXNPFEDSA-N 2 1 276.424 3.057 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348223539 378847284 /nfs/dbraw/zinc/84/72/84/378847284.db2.gz TXMQGWXTLQRRHY-RDJZCZTQSA-N 2 1 285.435 3.036 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223539 378847289 /nfs/dbraw/zinc/84/72/89/378847289.db2.gz TXMQGWXTLQRRHY-RDJZCZTQSA-N 2 1 285.435 3.036 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620564 382352653 /nfs/dbraw/zinc/35/26/53/382352653.db2.gz YHGDTLPIFYJDQW-KURKYZTESA-N 2 1 270.420 3.162 20 30 CGEDMP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282489656 392292235 /nfs/dbraw/zinc/29/22/35/392292235.db2.gz MJQNSQVSJFMTEA-INIZCTEOSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282489656 392292239 /nfs/dbraw/zinc/29/22/39/392292239.db2.gz MJQNSQVSJFMTEA-INIZCTEOSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339025268 392941672 /nfs/dbraw/zinc/94/16/72/392941672.db2.gz CVKLJWPJBSTDKY-QGZVFWFLSA-N 2 1 294.483 3.166 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693924 392989936 /nfs/dbraw/zinc/98/99/36/392989936.db2.gz HQSKJOMEOYNEFJ-RPVQJOFSSA-N 2 1 283.419 3.008 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693924 392989939 /nfs/dbraw/zinc/98/99/39/392989939.db2.gz HQSKJOMEOYNEFJ-RPVQJOFSSA-N 2 1 283.419 3.008 20 30 CGEDMP C=CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1 ZINC000349386392 393146085 /nfs/dbraw/zinc/14/60/85/393146085.db2.gz SIVZFNAHXIATBY-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC000349386392 393146094 /nfs/dbraw/zinc/14/60/94/393146094.db2.gz SIVZFNAHXIATBY-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000351717365 393194686 /nfs/dbraw/zinc/19/46/86/393194686.db2.gz DJAKHHYYJYBHNE-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477496 543450170 /nfs/dbraw/zinc/45/01/70/543450170.db2.gz IOIPKPKYXNLOJY-MRXNPFEDSA-N 2 1 264.457 3.232 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657875150 419399131 /nfs/dbraw/zinc/39/91/31/419399131.db2.gz HBDFDKLPRDIDEK-LBPRGKRZSA-N 2 1 274.399 3.296 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCC#N)CC1 ZINC000285907535 263096238 /nfs/dbraw/zinc/09/62/38/263096238.db2.gz BQNXVXNUERYFPG-UHFFFAOYSA-N 2 1 285.435 3.323 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340298763 263106538 /nfs/dbraw/zinc/10/65/38/263106538.db2.gz OKWRTFGCTSKAAS-BHYGNILZSA-N 2 1 258.409 3.376 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340298763 263106539 /nfs/dbraw/zinc/10/65/39/263106539.db2.gz OKWRTFGCTSKAAS-BHYGNILZSA-N 2 1 258.409 3.376 20 30 CGEDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335680426 277023576 /nfs/dbraw/zinc/02/35/76/277023576.db2.gz YQUIBNXTDOINKR-IBGZPJMESA-N 2 1 295.430 3.177 20 30 CGEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385672 288104475 /nfs/dbraw/zinc/10/44/75/288104475.db2.gz MEYRCDVRWLKVKH-QZCPTFHJSA-N 2 1 297.446 3.254 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C#N)cc1 ZINC000227537162 290061290 /nfs/dbraw/zinc/06/12/90/290061290.db2.gz LLMYSFZEXDTGSE-RZAIGCCYSA-N 2 1 277.371 3.354 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@@H+]1C ZINC000340450986 328279177 /nfs/dbraw/zinc/27/91/77/328279177.db2.gz YVTCCMPBABQLLI-KBAYOESNSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000340450986 328279178 /nfs/dbraw/zinc/27/91/78/328279178.db2.gz YVTCCMPBABQLLI-KBAYOESNSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895745 329334791 /nfs/dbraw/zinc/33/47/91/329334791.db2.gz WLHWAMKJPGBLSG-LUKYLMHMSA-N 2 1 289.467 3.311 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647731 330145207 /nfs/dbraw/zinc/14/52/07/330145207.db2.gz KWGAYKKUYYSTNY-CGTJXYLNSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647731 330145208 /nfs/dbraw/zinc/14/52/08/330145208.db2.gz KWGAYKKUYYSTNY-CGTJXYLNSA-N 2 1 270.420 3.041 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423317839 330189978 /nfs/dbraw/zinc/18/99/78/330189978.db2.gz BBMVXPIIYQYTIO-WBAXXEDZSA-N 2 1 288.435 3.085 20 30 CGEDMP C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449698578 330944523 /nfs/dbraw/zinc/94/45/23/330944523.db2.gz OCLQQZGOWGOGNW-RHSMWYFYSA-N 2 1 299.418 3.158 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488469318 332012186 /nfs/dbraw/zinc/01/21/86/332012186.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000488469318 332012188 /nfs/dbraw/zinc/01/21/88/332012188.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 2 1 264.457 3.397 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185780648 333148689 /nfs/dbraw/zinc/14/86/89/333148689.db2.gz KNLOEBAGJGQFSA-XWTMOSNGSA-N 2 1 291.483 3.416 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174352163 335153300 /nfs/dbraw/zinc/15/33/00/335153300.db2.gz GZJZMJAYDCVKMR-HNNXBMFYSA-N 2 1 265.445 3.026 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000245967429 334225975 /nfs/dbraw/zinc/22/59/75/334225975.db2.gz USRMPAAPLPQQIB-DOTOQJQBSA-N 2 1 264.457 3.441 20 30 CGEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200305 618590404 /nfs/dbraw/zinc/59/04/04/618590404.db2.gz DLSQZPWGJZCUJP-RTBURBONSA-N 2 1 297.446 3.100 20 30 CGEDMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903425072 621751307 /nfs/dbraw/zinc/75/13/07/621751307.db2.gz QNDMEOMYPBSWQJ-OAHLLOKOSA-N 2 1 279.815 3.017 20 30 CGEDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903425072 621751313 /nfs/dbraw/zinc/75/13/13/621751313.db2.gz QNDMEOMYPBSWQJ-OAHLLOKOSA-N 2 1 279.815 3.017 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)C1CCC([NH3+])CC1 ZINC000903716692 621795718 /nfs/dbraw/zinc/79/57/18/621795718.db2.gz BUDDALUMPMLTNW-UHFFFAOYSA-N 2 1 263.429 3.052 20 30 CGEDMP N#CC1(CCCC[NH2+][C@@H](C[NH3+])C2CCCCC2)CCC1 ZINC000903751093 621800343 /nfs/dbraw/zinc/80/03/43/621800343.db2.gz AEFXRXZQFPYZAF-INIZCTEOSA-N 2 1 277.456 3.348 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cccc(C#N)c1 ZINC000904386282 621917380 /nfs/dbraw/zinc/91/73/80/621917380.db2.gz VMCRLSOLSJNVFN-CJNGLKHVSA-N 2 1 273.424 3.362 20 30 CGEDMP C#CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000766940076 627371938 /nfs/dbraw/zinc/37/19/38/627371938.db2.gz JHWQTWLMLJOGFW-UHFFFAOYSA-N 2 1 296.458 3.388 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000793520699 629471861 /nfs/dbraw/zinc/47/18/61/629471861.db2.gz HJVSYEVJEUMBQJ-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000817959492 632254396 /nfs/dbraw/zinc/25/43/96/632254396.db2.gz GQLYQNXMVQNJEY-MLGOLLRUSA-N 2 1 294.826 3.206 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880255772 635958569 /nfs/dbraw/zinc/95/85/69/635958569.db2.gz XSVJAIXZUVDMKT-SJORKVTESA-N 2 1 289.467 3.409 20 30 CGEDMP C#CC[N@H+](CCCn1ccnc1C)[C@@H]1CCc2ccccc21 ZINC000127313842 635619901 /nfs/dbraw/zinc/61/99/01/635619901.db2.gz DJEPYADXTCKWGC-LJQANCHMSA-N 2 1 293.414 3.204 20 30 CGEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000127313842 635619908 /nfs/dbraw/zinc/61/99/08/635619908.db2.gz DJEPYADXTCKWGC-LJQANCHMSA-N 2 1 293.414 3.204 20 30 CGEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000127313842 635619910 /nfs/dbraw/zinc/61/99/10/635619910.db2.gz DJEPYADXTCKWGC-LJQANCHMSA-N 2 1 293.414 3.204 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000845929599 636120148 /nfs/dbraw/zinc/12/01/48/636120148.db2.gz WIDUOGBNIHGSCR-NVXWUHKLSA-N 2 1 296.418 3.410 20 30 CGEDMP CCCCCCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708088 637698049 /nfs/dbraw/zinc/69/80/49/637698049.db2.gz QHGWOMCOQIMKCN-GOSISDBHSA-N 2 1 296.499 3.268 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929777012 638949585 /nfs/dbraw/zinc/94/95/85/638949585.db2.gz FKNPTUZHVXHMMY-UHFFFAOYSA-N 2 1 299.462 3.481 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252122756 806009328 /nfs/dbraw/zinc/00/93/28/806009328.db2.gz ZIECMCMHGNTMHU-KRWDZBQOSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252122756 806009337 /nfs/dbraw/zinc/00/93/37/806009337.db2.gz ZIECMCMHGNTMHU-KRWDZBQOSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252135665 806022188 /nfs/dbraw/zinc/02/21/88/806022188.db2.gz HIVWNMYBGSCBKS-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001252135973 806021812 /nfs/dbraw/zinc/02/18/12/806021812.db2.gz KDMXRGHCAJRKKM-IRXDYDNUSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001252983331 806146724 /nfs/dbraw/zinc/14/67/24/806146724.db2.gz VEJXPIYZIRCYPN-MSOLQXFVSA-N 2 1 298.515 3.419 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481396 /nfs/dbraw/zinc/48/13/96/806481396.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481403 /nfs/dbraw/zinc/48/14/03/806481403.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254672052 806481409 /nfs/dbraw/zinc/48/14/09/806481409.db2.gz WWXJTBGBHSWAOV-LTIDMASMSA-N 2 1 275.440 3.017 20 30 CGEDMP C[C@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(CC#N)c2)c1 ZINC001162909861 806684559 /nfs/dbraw/zinc/68/45/59/806684559.db2.gz ZQZQOVJIUQVPBO-LBPRGKRZSA-N 2 1 276.343 3.111 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386566541 799437781 /nfs/dbraw/zinc/43/77/81/799437781.db2.gz WNINDIIZGPTNIV-HZPDHXFCSA-N 2 1 252.446 3.421 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000392749883 799482702 /nfs/dbraw/zinc/48/27/02/799482702.db2.gz CFRPZMRRMNRHRA-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000392749883 799482705 /nfs/dbraw/zinc/48/27/05/799482705.db2.gz CFRPZMRRMNRHRA-CYBMUJFWSA-N 2 1 298.352 3.311 20 30 CGEDMP C#C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624118 800177267 /nfs/dbraw/zinc/17/72/67/800177267.db2.gz DKFIAUDUOLTHJC-LWYYNNOASA-N 2 1 296.458 3.287 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553521 806915307 /nfs/dbraw/zinc/91/53/07/806915307.db2.gz HXVPDIPFWPWXLD-GGPKGHCWSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553521 806915310 /nfs/dbraw/zinc/91/53/10/806915310.db2.gz HXVPDIPFWPWXLD-GGPKGHCWSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553521 806915316 /nfs/dbraw/zinc/91/53/16/806915316.db2.gz HXVPDIPFWPWXLD-GGPKGHCWSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553521 806915323 /nfs/dbraw/zinc/91/53/23/806915323.db2.gz HXVPDIPFWPWXLD-GGPKGHCWSA-N 2 1 296.458 3.385 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016605 804096998 /nfs/dbraw/zinc/09/69/98/804096998.db2.gz MFDXFRXORHXMJO-KSZLIROESA-N 2 1 298.515 3.405 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246023629 804100208 /nfs/dbraw/zinc/10/02/08/804100208.db2.gz SHJVUVQPYHTKIZ-SJORKVTESA-N 2 1 282.472 3.077 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246029842 804102839 /nfs/dbraw/zinc/10/28/39/804102839.db2.gz WMSVYLBLVSHCSM-KRWDZBQOSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246062842 804104946 /nfs/dbraw/zinc/10/49/46/804104946.db2.gz JTUPNRDHUKMDKH-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246062842 804104952 /nfs/dbraw/zinc/10/49/52/804104952.db2.gz JTUPNRDHUKMDKH-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](N)C[C@H]1C ZINC001246066087 804106879 /nfs/dbraw/zinc/10/68/79/804106879.db2.gz RAJYTTYBDSWHJO-IXDOHACOSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246066087 804106880 /nfs/dbraw/zinc/10/68/80/804106880.db2.gz RAJYTTYBDSWHJO-IXDOHACOSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246066087 804106884 /nfs/dbraw/zinc/10/68/84/804106884.db2.gz RAJYTTYBDSWHJO-IXDOHACOSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063547 804107316 /nfs/dbraw/zinc/10/73/16/804107316.db2.gz KNRMEIUYYSVFCT-ULQDDVLXSA-N 2 1 284.488 3.300 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC001246071629 804110152 /nfs/dbraw/zinc/11/01/52/804110152.db2.gz SDNYWQABRSXECC-GOSISDBHSA-N 2 1 296.499 3.338 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246090423 804122163 /nfs/dbraw/zinc/12/21/63/804122163.db2.gz XKLLARXCMGWYPZ-GOSISDBHSA-N 2 1 297.531 3.401 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@@H](N)CCC[NH3+] ZINC001246299376 804265783 /nfs/dbraw/zinc/26/57/83/804265783.db2.gz HQSWBBTUNASOQI-HUUCEWRRSA-N 3 1 257.466 3.129 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]C[C@@H]([NH3+])Cc3ccccc3)C[C@H](C1)C2 ZINC001246300082 804266294 /nfs/dbraw/zinc/26/62/94/804266294.db2.gz ONFQRYNHBQJBSG-TUVJXNFZSA-N 2 1 284.447 3.281 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)N[C@@H]([NH3+])CCC[NH3+] ZINC001246302377 804268311 /nfs/dbraw/zinc/26/83/11/804268311.db2.gz XYAPNVRPFHEKAU-JKSUJKDBSA-N 2 1 271.493 3.375 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246302377 804268318 /nfs/dbraw/zinc/26/83/18/804268318.db2.gz XYAPNVRPFHEKAU-JKSUJKDBSA-N 3 1 271.493 3.375 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246317860 804277801 /nfs/dbraw/zinc/27/78/01/804277801.db2.gz OICZWAIQKPOEEF-RBSFLKMASA-N 2 1 288.435 3.431 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001246600964 804438957 /nfs/dbraw/zinc/43/89/57/804438957.db2.gz FOGHIYMPONUQIX-UJJTZGENSA-N 2 1 274.452 3.197 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)C[C@H](C1)C2 ZINC001246600965 804439018 /nfs/dbraw/zinc/43/90/18/804439018.db2.gz FOGHIYMPONUQIX-WFFDWFOESA-N 2 1 274.452 3.197 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001246647854 804475088 /nfs/dbraw/zinc/47/50/88/804475088.db2.gz UKLRGFNSVKIDDE-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684962 804496160 /nfs/dbraw/zinc/49/61/60/804496160.db2.gz YSOZCMFAQYTHOG-BHIYHBOVSA-N 2 1 284.447 3.420 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246799403 804521941 /nfs/dbraw/zinc/52/19/41/804521941.db2.gz ZDCMARMIRKNDGL-DOTOQJQBSA-N 2 1 258.409 3.205 20 30 CGEDMP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(C#N)cc1 ZINC001140803742 804523883 /nfs/dbraw/zinc/52/38/83/804523883.db2.gz VBMXVLGOTGMMBD-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(C#N)cc1 ZINC001140803742 804523888 /nfs/dbraw/zinc/52/38/88/804523888.db2.gz VBMXVLGOTGMMBD-UHFFFAOYSA-N 2 1 276.343 3.067 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838630 804546109 /nfs/dbraw/zinc/54/61/09/804546109.db2.gz ZDWMJDBIEPFAEJ-MRXNPFEDSA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246866663 804570250 /nfs/dbraw/zinc/57/02/50/804570250.db2.gz DYUJPFMGQQUMEU-MSOLQXFVSA-N 2 1 295.515 3.233 20 30 CGEDMP CCCC[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908768 804593185 /nfs/dbraw/zinc/59/31/85/804593185.db2.gz MNEMSEIOTBMEFR-QZTJIDSGSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908768 804593189 /nfs/dbraw/zinc/59/31/89/804593189.db2.gz MNEMSEIOTBMEFR-QZTJIDSGSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927156 804603894 /nfs/dbraw/zinc/60/38/94/804603894.db2.gz GOHRUPIMLMREMP-IRXDYDNUSA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001246927156 804603896 /nfs/dbraw/zinc/60/38/96/804603896.db2.gz GOHRUPIMLMREMP-IRXDYDNUSA-N 2 1 284.488 3.436 20 30 CGEDMP CC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257435603 807154846 /nfs/dbraw/zinc/15/48/46/807154846.db2.gz INKLWSRSEMSTNN-ZTFGCOKTSA-N 2 1 285.435 3.429 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cccc2C[NH3+])cc1 ZINC001167600407 807212329 /nfs/dbraw/zinc/21/23/29/807212329.db2.gz XMVMDZULZFLVMI-SFHVURJKSA-N 2 1 281.403 3.259 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001167837440 807259304 /nfs/dbraw/zinc/25/93/04/807259304.db2.gz KDEYJQBYUVOYFJ-JKSUJKDBSA-N 2 1 265.445 3.123 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258050954 807277104 /nfs/dbraw/zinc/27/71/04/807277104.db2.gz ZYKDPINNLWBECL-OAHLLOKOSA-N 2 1 263.429 3.490 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258050954 807277111 /nfs/dbraw/zinc/27/71/11/807277111.db2.gz ZYKDPINNLWBECL-OAHLLOKOSA-N 2 1 263.429 3.490 20 30 CGEDMP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959042 807287020 /nfs/dbraw/zinc/28/70/20/807287020.db2.gz NPRBVEBEFBIEDJ-YQQQUEKLSA-N 2 1 295.430 3.053 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258908525 807672300 /nfs/dbraw/zinc/67/23/00/807672300.db2.gz WSQCBFZDUTVFGK-INIZCTEOSA-N 2 1 299.462 3.427 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001171182042 808001697 /nfs/dbraw/zinc/00/16/97/808001697.db2.gz RZUMCSGUBDTUBA-DLBZAZTESA-N 2 1 299.462 3.343 20 30 CGEDMP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171982350 808165479 /nfs/dbraw/zinc/16/54/79/808165479.db2.gz HOCGTDQNWHPCPP-MRXNPFEDSA-N 2 1 258.409 3.205 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172296139 808218735 /nfs/dbraw/zinc/21/87/35/808218735.db2.gz XJSASHWXQAWQNU-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172350741 808248234 /nfs/dbraw/zinc/24/82/34/808248234.db2.gz PLTKXXUQWGENMK-SFHVURJKSA-N 2 1 297.531 3.353 20 30 CGEDMP C=CCCCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001274974801 808896826 /nfs/dbraw/zinc/89/68/26/808896826.db2.gz RUYWOAXASSIEJD-UHFFFAOYSA-N 2 1 250.430 3.151 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276857112 809038060 /nfs/dbraw/zinc/03/80/60/809038060.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276857112 809038066 /nfs/dbraw/zinc/03/80/66/809038066.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001276857112 809038072 /nfs/dbraw/zinc/03/80/72/809038072.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 2 1 297.446 3.175 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351351 809372948 /nfs/dbraw/zinc/37/29/48/809372948.db2.gz LDBVKYPPTWBNBP-ROUUACIJSA-N 2 1 276.468 3.375 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205666067 813047866 /nfs/dbraw/zinc/04/78/66/813047866.db2.gz ZIKRPVLGBSJJSZ-GOSISDBHSA-N 2 1 296.499 3.469 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205665702 813048119 /nfs/dbraw/zinc/04/81/19/813048119.db2.gz UAXBBGZNQBBLBF-SYJIQKIWSA-N 2 1 282.472 3.079 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CC1 ZINC001205904927 813128278 /nfs/dbraw/zinc/12/82/78/813128278.db2.gz YPVACVSCGNKNIG-UAGQMJEPSA-N 2 1 262.441 3.348 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206012107 813165010 /nfs/dbraw/zinc/16/50/10/813165010.db2.gz IWICWMCCRVQQRZ-RDJZCZTQSA-N 2 1 288.435 3.058 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC001206047268 813181075 /nfs/dbraw/zinc/18/10/75/813181075.db2.gz FSRNFMQXYJSNED-IRXDYDNUSA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC001206047268 813181081 /nfs/dbraw/zinc/18/10/81/813181081.db2.gz FSRNFMQXYJSNED-IRXDYDNUSA-N 2 1 264.457 3.136 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269410 813264268 /nfs/dbraw/zinc/26/42/68/813264268.db2.gz LXSPKHLISRNAHO-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269409 813265084 /nfs/dbraw/zinc/26/50/84/813265084.db2.gz LXSPKHLISRNAHO-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206542392 813344200 /nfs/dbraw/zinc/34/42/00/813344200.db2.gz ZXYXTSJUHYDWOC-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC1 ZINC001206760420 813426614 /nfs/dbraw/zinc/42/66/14/813426614.db2.gz FXSIOMXWOPDQOL-DJIMGWMZSA-N 2 1 262.441 3.348 20 30 CGEDMP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001206801469 813440049 /nfs/dbraw/zinc/44/00/49/813440049.db2.gz WNUHMTUCZDLMOO-LPHOPBHVSA-N 2 1 299.462 3.419 20 30 CGEDMP C=CCCCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209202201 813964223 /nfs/dbraw/zinc/96/42/23/813964223.db2.gz BXOICKLUVCKTAA-CALCHBBNSA-N 2 1 288.435 3.390 20 30 CGEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209202201 813964232 /nfs/dbraw/zinc/96/42/32/813964232.db2.gz BXOICKLUVCKTAA-CALCHBBNSA-N 2 1 288.435 3.390 20 30 CGEDMP C=CCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001209202201 813964237 /nfs/dbraw/zinc/96/42/37/813964237.db2.gz BXOICKLUVCKTAA-CALCHBBNSA-N 2 1 288.435 3.390 20 30 CGEDMP C=CCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001209202201 813964243 /nfs/dbraw/zinc/96/42/43/813964243.db2.gz BXOICKLUVCKTAA-CALCHBBNSA-N 2 1 288.435 3.390 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234969640 818968386 /nfs/dbraw/zinc/96/83/86/818968386.db2.gz AKGBOTIHIAYBEW-IAGOWNOFSA-N 2 1 282.472 3.047 20 30 CGEDMP CCCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234990031 818969943 /nfs/dbraw/zinc/96/99/43/818969943.db2.gz BUNYEOGSJZUNRA-MRXNPFEDSA-N 2 1 252.446 3.422 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093130 818999991 /nfs/dbraw/zinc/99/99/91/818999991.db2.gz POJMFICMSCRXLH-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194528 819031447 /nfs/dbraw/zinc/03/14/47/819031447.db2.gz YCPOGAXQAFPVDW-PIIXRYACSA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194528 819031453 /nfs/dbraw/zinc/03/14/53/819031453.db2.gz YCPOGAXQAFPVDW-PIIXRYACSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235256730 819054070 /nfs/dbraw/zinc/05/40/70/819054070.db2.gz SVBKXWDAVVONPB-HZPDHXFCSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC001235703026 819147011 /nfs/dbraw/zinc/14/70/11/819147011.db2.gz ORKRDSJQPQXMQD-KRWDZBQOSA-N 2 1 258.409 3.064 20 30 CGEDMP C[N@@H+](CCCC[NH3+])Cc1ccccc1C#Cc1ccccc1 ZINC001236141510 819343068 /nfs/dbraw/zinc/34/30/68/819343068.db2.gz HNBRCLBPGHUKDS-UHFFFAOYSA-N 2 1 292.426 3.257 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001236211083 819371868 /nfs/dbraw/zinc/37/18/68/819371868.db2.gz GXBOAKGXCWGRNL-ZACQAIPSSA-N 2 1 262.441 3.491 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001236211083 819371871 /nfs/dbraw/zinc/37/18/71/819371871.db2.gz GXBOAKGXCWGRNL-ZACQAIPSSA-N 2 1 262.441 3.491 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236834918 819615526 /nfs/dbraw/zinc/61/55/26/819615526.db2.gz KFFZYNDDZQGEQS-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC001473993196 937834166 /nfs/dbraw/zinc/83/41/66/937834166.db2.gz WVRZKQAYZZUXMM-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC001473993196 937834167 /nfs/dbraw/zinc/83/41/67/937834167.db2.gz WVRZKQAYZZUXMM-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CCCCC1 ZINC001574637222 962309416 /nfs/dbraw/zinc/30/94/16/962309416.db2.gz KDRSVRMCZQGPLB-OAHLLOKOSA-N 2 1 264.457 3.408 20 30 CGEDMP C#CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1CCCCC1 ZINC001574637222 962309429 /nfs/dbraw/zinc/30/94/29/962309429.db2.gz KDRSVRMCZQGPLB-OAHLLOKOSA-N 2 1 264.457 3.408 20 30 CGEDMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001577109597 962505904 /nfs/dbraw/zinc/50/59/04/962505904.db2.gz MNWVELNBHKTNTK-UHFFFAOYSA-N 2 1 273.424 3.095 20 30 CGEDMP N#CC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC001580038722 962685850 /nfs/dbraw/zinc/68/58/50/962685850.db2.gz RAVBCQFPXIGQSX-OAHLLOKOSA-N 2 1 275.440 3.115 20 30 CGEDMP N#Cc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000595330117 347292825 /nfs/dbraw/zinc/29/28/25/347292825.db2.gz ZFWUXOVXMXIUDD-IBGZPJMESA-N 2 1 297.446 3.051 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596059289 347378125 /nfs/dbraw/zinc/37/81/25/347378125.db2.gz OKKCIBOQIVWFHA-INIZCTEOSA-N 2 1 277.456 3.028 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121045 349978801 /nfs/dbraw/zinc/97/88/01/349978801.db2.gz MNMZJHAEICUMGU-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783999 348028009 /nfs/dbraw/zinc/02/80/09/348028009.db2.gz GHQUKZMUEFVBMP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783999 348028012 /nfs/dbraw/zinc/02/80/12/348028012.db2.gz GHQUKZMUEFVBMP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602783999 348028016 /nfs/dbraw/zinc/02/80/16/348028016.db2.gz GHQUKZMUEFVBMP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602783999 348028019 /nfs/dbraw/zinc/02/80/19/348028019.db2.gz GHQUKZMUEFVBMP-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602543648 347979209 /nfs/dbraw/zinc/97/92/09/347979209.db2.gz FGKRUCGYJVVRNP-OAHLLOKOSA-N 2 1 273.424 3.168 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390669 348444399 /nfs/dbraw/zinc/44/43/99/348444399.db2.gz NMWAVHWYRSUNJN-SFHVURJKSA-N 2 1 285.435 3.256 20 30 CGEDMP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000614168088 348654222 /nfs/dbraw/zinc/65/42/22/348654222.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000614168088 348654223 /nfs/dbraw/zinc/65/42/23/348654223.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000614168088 348654225 /nfs/dbraw/zinc/65/42/25/348654225.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674016 /nfs/dbraw/zinc/67/40/16/348674016.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674019 /nfs/dbraw/zinc/67/40/19/348674019.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674020 /nfs/dbraw/zinc/67/40/20/348674020.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805213 349157100 /nfs/dbraw/zinc/15/71/00/349157100.db2.gz FAZDDFOFSHNPDQ-GOSISDBHSA-N 2 1 297.446 3.398 20 30 CGEDMP C=CCC1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000625935399 350233413 /nfs/dbraw/zinc/23/34/13/350233413.db2.gz YNYJGRFOIKWWBS-OAHLLOKOSA-N 2 1 250.430 3.339 20 30 CGEDMP C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000628405842 350529963 /nfs/dbraw/zinc/52/99/63/350529963.db2.gz WAQMISMQQHYCNA-MRXNPFEDSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCC[C@H](CC)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000153020081 188059500 /nfs/dbraw/zinc/05/95/00/188059500.db2.gz YYZMOTDJCRIDQQ-HNNXBMFYSA-N 2 1 250.430 3.361 20 30 CGEDMP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCCC1 ZINC000271911776 191403847 /nfs/dbraw/zinc/40/38/47/191403847.db2.gz DZIPZIIZPDTLEB-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000153001357 371742141 /nfs/dbraw/zinc/74/21/41/371742141.db2.gz PYHLWHAIWCFOME-HNNXBMFYSA-N 2 1 290.426 3.387 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000436471889 372836002 /nfs/dbraw/zinc/83/60/02/372836002.db2.gz WWFCCHGSFPDDAQ-UHFFFAOYSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442783368 373079719 /nfs/dbraw/zinc/07/97/19/373079719.db2.gz RKZJMPKPOOKDKA-UHFFFAOYSA-N 2 1 286.410 3.440 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000482625481 375171224 /nfs/dbraw/zinc/17/12/24/375171224.db2.gz ATTPCLZNBFHNBM-UHFFFAOYSA-N 2 1 288.479 3.441 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895338 376926571 /nfs/dbraw/zinc/92/65/71/376926571.db2.gz MYUFMWTXMDHLHQ-WBVHZDCISA-N 2 1 285.435 3.329 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901640 377115004 /nfs/dbraw/zinc/11/50/04/377115004.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901640 377115015 /nfs/dbraw/zinc/11/50/15/377115015.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246901640 377115022 /nfs/dbraw/zinc/11/50/22/377115022.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901640 377115030 /nfs/dbraw/zinc/11/50/30/377115030.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000248012433 377258469 /nfs/dbraw/zinc/25/84/69/377258469.db2.gz LKQXFZMWMOTOAR-YQQAZPJKSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000248012433 377258476 /nfs/dbraw/zinc/25/84/76/377258476.db2.gz LKQXFZMWMOTOAR-YQQAZPJKSA-N 2 1 288.435 3.070 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248811113 377405072 /nfs/dbraw/zinc/40/50/72/377405072.db2.gz KNBOGWXMDLHBOC-IKGGRYGDSA-N 2 1 277.456 3.170 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012155 /nfs/dbraw/zinc/01/21/55/378012155.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012160 /nfs/dbraw/zinc/01/21/60/378012160.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012166 /nfs/dbraw/zinc/01/21/66/378012166.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 2 1 285.435 3.057 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000268957198 378161644 /nfs/dbraw/zinc/16/16/44/378161644.db2.gz YYSWJYSUHQVPOY-WMZOPIPTSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000268957198 378161650 /nfs/dbraw/zinc/16/16/50/378161650.db2.gz YYSWJYSUHQVPOY-WMZOPIPTSA-N 2 1 285.435 3.323 20 30 CGEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271025386 378430029 /nfs/dbraw/zinc/43/00/29/378430029.db2.gz JWXSAMGPVIYNEF-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271025386 378430034 /nfs/dbraw/zinc/43/00/34/378430034.db2.gz JWXSAMGPVIYNEF-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000271025386 378430039 /nfs/dbraw/zinc/43/00/39/378430039.db2.gz JWXSAMGPVIYNEF-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000271025386 378430046 /nfs/dbraw/zinc/43/00/46/378430046.db2.gz JWXSAMGPVIYNEF-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271921857 378518024 /nfs/dbraw/zinc/51/80/24/378518024.db2.gz FHFDAWQJOORODQ-ZDUSSCGKSA-N 2 1 289.398 3.221 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346774758 378688148 /nfs/dbraw/zinc/68/81/48/378688148.db2.gz GZEKDULBGHLKET-DOTOQJQBSA-N 2 1 258.409 3.020 20 30 CGEDMP C=CCOCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000348026636 378758107 /nfs/dbraw/zinc/75/81/07/378758107.db2.gz FGWOYLVQAVQKAH-QZTJIDSGSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000348026636 378758122 /nfs/dbraw/zinc/75/81/22/378758122.db2.gz FGWOYLVQAVQKAH-QZTJIDSGSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000348026636 378758130 /nfs/dbraw/zinc/75/81/30/378758130.db2.gz FGWOYLVQAVQKAH-QZTJIDSGSA-N 2 1 294.483 3.166 20 30 CGEDMP N#CC1(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000411285095 380138074 /nfs/dbraw/zinc/13/80/74/380138074.db2.gz QNSYYFMZVMJUHQ-KRWDZBQOSA-N 2 1 289.467 3.268 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCN1C ZINC000411329970 380141584 /nfs/dbraw/zinc/14/15/84/380141584.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329970 380141591 /nfs/dbraw/zinc/14/15/91/380141591.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329970 380141595 /nfs/dbraw/zinc/14/15/95/380141595.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329970 380141599 /nfs/dbraw/zinc/14/15/99/380141599.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329970 380141606 /nfs/dbraw/zinc/14/16/06/380141606.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329970 380141612 /nfs/dbraw/zinc/14/16/12/380141612.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329970 380141617 /nfs/dbraw/zinc/14/16/17/380141617.db2.gz LIBWFDRCLXAXKZ-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C=CCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414177454 380199871 /nfs/dbraw/zinc/19/98/71/380199871.db2.gz IYZSISZLPXNCTK-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC000186249868 392780740 /nfs/dbraw/zinc/78/07/40/392780740.db2.gz VDOZZOAQBYVTTB-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC000186249868 392780745 /nfs/dbraw/zinc/78/07/45/392780745.db2.gz VDOZZOAQBYVTTB-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191479 393377592 /nfs/dbraw/zinc/37/75/92/393377592.db2.gz QMDZGYYTUHKVOJ-NVXWUHKLSA-N 2 1 270.420 3.348 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191479 393377596 /nfs/dbraw/zinc/37/75/96/393377596.db2.gz QMDZGYYTUHKVOJ-NVXWUHKLSA-N 2 1 270.420 3.348 20 30 CGEDMP C=CCCC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000657566833 419307196 /nfs/dbraw/zinc/30/71/96/419307196.db2.gz AORVDNMBKAVRAY-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000267460723 262932204 /nfs/dbraw/zinc/93/22/04/262932204.db2.gz UXFKVUNVPYTPJW-UHFFFAOYSA-N 2 1 299.422 3.015 20 30 CGEDMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305516 263107767 /nfs/dbraw/zinc/10/77/67/263107767.db2.gz LHXNYXWLZSEIHF-ZWKOTPCHSA-N 2 1 288.435 3.004 20 30 CGEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305516 263107768 /nfs/dbraw/zinc/10/77/68/263107768.db2.gz LHXNYXWLZSEIHF-ZWKOTPCHSA-N 2 1 288.435 3.004 20 30 CGEDMP C=C(C)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423048727 330167122 /nfs/dbraw/zinc/16/71/22/330167122.db2.gz INBYEXIYHVLLKB-HFAKWTLXSA-N 2 1 268.351 3.297 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)C1CC1 ZINC000120097328 330384614 /nfs/dbraw/zinc/38/46/14/330384614.db2.gz UNMWLRYXSFDDSK-HZPDHXFCSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000106245251 526601621 /nfs/dbraw/zinc/60/16/21/526601621.db2.gz BEAHAXPMAREOOX-UHFFFAOYSA-N 2 1 298.430 3.093 20 30 CGEDMP C=CCOc1cccc(C[N@H+](CCC)C2CC[NH2+]CC2)c1 ZINC000347121032 526898680 /nfs/dbraw/zinc/89/86/80/526898680.db2.gz ZPNVIPWDENRLFR-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000105443687 526904386 /nfs/dbraw/zinc/90/43/86/526904386.db2.gz MREIIUZHHORQRB-OAHLLOKOSA-N 2 1 299.418 3.182 20 30 CGEDMP C#C[C@@H](C)[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000775183050 619003994 /nfs/dbraw/zinc/00/39/94/619003994.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@@H](C)[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000775183050 619003999 /nfs/dbraw/zinc/00/39/99/619003999.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@@H](C)[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000775183050 619004002 /nfs/dbraw/zinc/00/40/02/619004002.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 2 1 272.436 3.098 20 30 CGEDMP C#C[C@@H](C)[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000775183050 619004005 /nfs/dbraw/zinc/00/40/05/619004005.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 2 1 272.436 3.098 20 30 CGEDMP C[NH+]1C[C@@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317567 619143506 /nfs/dbraw/zinc/14/35/06/619143506.db2.gz PBSBZWFJZNKJNR-IRXDYDNUSA-N 2 1 289.467 3.124 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924958242 619461696 /nfs/dbraw/zinc/46/16/96/619461696.db2.gz DMCCAAVKLYLWNN-LSDHHAIUSA-N 2 1 265.445 3.025 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894923755 619683982 /nfs/dbraw/zinc/68/39/82/619683982.db2.gz LTQKTSDYUWEPEC-MVCQKVDPSA-N 2 1 284.447 3.389 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818733 621454510 /nfs/dbraw/zinc/45/45/10/621454510.db2.gz POFNPEJVXFZXSA-XYPHTWIQSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818733 621454517 /nfs/dbraw/zinc/45/45/17/621454517.db2.gz POFNPEJVXFZXSA-XYPHTWIQSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903018211 621520729 /nfs/dbraw/zinc/52/07/29/621520729.db2.gz YYSUWOPROYMJNZ-MAUKXSAKSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102732 621575801 /nfs/dbraw/zinc/57/58/01/621575801.db2.gz BLMJOESUEKMPCZ-HMZLUNFSSA-N 2 1 295.430 3.367 20 30 CGEDMP C=CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903196440 621622186 /nfs/dbraw/zinc/62/21/86/621622186.db2.gz OMJIWSLYQQPVRK-ZXFUBFMLSA-N 2 1 262.441 3.480 20 30 CGEDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713594 621798524 /nfs/dbraw/zinc/79/85/24/621798524.db2.gz XBMWEVNTCXSJKZ-HUUCEWRRSA-N 2 1 263.429 3.052 20 30 CGEDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713594 621798527 /nfs/dbraw/zinc/79/85/27/621798527.db2.gz XBMWEVNTCXSJKZ-HUUCEWRRSA-N 2 1 263.429 3.052 20 30 CGEDMP CC1(C)CC([NH2+]Cc2csc(C#N)c2)CC(C)(C)[NH2+]1 ZINC000921493687 624595339 /nfs/dbraw/zinc/59/53/39/624595339.db2.gz UEFHLCAIMVUMDR-UHFFFAOYSA-N 2 1 277.437 3.019 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921774220 625871533 /nfs/dbraw/zinc/87/15/33/625871533.db2.gz BNMCWQJPACAMJO-UHFFFAOYSA-N 2 1 296.418 3.250 20 30 CGEDMP C#CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000766902656 627368992 /nfs/dbraw/zinc/36/89/92/627368992.db2.gz MMYCGFAXIXUWKL-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000766902656 627368997 /nfs/dbraw/zinc/36/89/97/627368997.db2.gz MMYCGFAXIXUWKL-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000766902656 627368999 /nfs/dbraw/zinc/36/89/99/627368999.db2.gz MMYCGFAXIXUWKL-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C=CCCCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000806167639 630551346 /nfs/dbraw/zinc/55/13/46/630551346.db2.gz CNPWOEGLMKZLMG-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000815652082 631813380 /nfs/dbraw/zinc/81/33/80/631813380.db2.gz NZUPEBHJODMSLS-SFHVURJKSA-N 2 1 288.435 3.081 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1ccc(OC)cc1 ZINC000815652082 631813386 /nfs/dbraw/zinc/81/33/86/631813386.db2.gz NZUPEBHJODMSLS-SFHVURJKSA-N 2 1 288.435 3.081 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000815652616 631814197 /nfs/dbraw/zinc/81/41/97/631814197.db2.gz JWDBYVMHXAGJSO-KRWDZBQOSA-N 2 1 276.424 3.302 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000815652616 631814204 /nfs/dbraw/zinc/81/42/04/631814204.db2.gz JWDBYVMHXAGJSO-KRWDZBQOSA-N 2 1 276.424 3.302 20 30 CGEDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1[O-] ZINC000924616958 638377199 /nfs/dbraw/zinc/37/71/99/638377199.db2.gz HGIMCOXEEATXBA-MRXNPFEDSA-N 2 1 289.423 3.035 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737299 638805504 /nfs/dbraw/zinc/80/55/04/638805504.db2.gz FAFPKXVULINHOL-ZBFHGGJFSA-N 2 1 277.456 3.026 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001252983333 806146970 /nfs/dbraw/zinc/14/69/70/806146970.db2.gz VEJXPIYZIRCYPN-ROUUACIJSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001253240792 806191999 /nfs/dbraw/zinc/19/19/99/806191999.db2.gz AAASJGIDCDIVSY-GOSISDBHSA-N 2 1 294.483 3.044 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001253243533 806194360 /nfs/dbraw/zinc/19/43/60/806194360.db2.gz WYLWGKUJHAWGAW-GOSISDBHSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001253243533 806194366 /nfs/dbraw/zinc/19/43/66/806194366.db2.gz WYLWGKUJHAWGAW-GOSISDBHSA-N 2 1 296.499 3.290 20 30 CGEDMP CC(C)(C)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254649153 806472572 /nfs/dbraw/zinc/47/25/72/806472572.db2.gz QGXIZLOLIAMPMB-YHUYYLMFSA-N 2 1 277.456 3.297 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393809 806632949 /nfs/dbraw/zinc/63/29/49/806632949.db2.gz RKDJKZWTBUNUFK-RBUKOAKNSA-N 2 1 284.447 3.433 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383931 806630639 /nfs/dbraw/zinc/63/06/39/806630639.db2.gz QBAFXUNHJRWGEZ-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001256563432 806916703 /nfs/dbraw/zinc/91/67/03/806916703.db2.gz BOYXLZUESAJGKJ-UHFFFAOYSA-N 2 1 297.446 3.400 20 30 CGEDMP C#CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800965 802604778 /nfs/dbraw/zinc/60/47/78/802604778.db2.gz JIJNFNBCRBXVBG-DLBZAZTESA-N 2 1 270.420 3.213 20 30 CGEDMP C#CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800965 802604781 /nfs/dbraw/zinc/60/47/81/802604781.db2.gz JIJNFNBCRBXVBG-DLBZAZTESA-N 2 1 270.420 3.213 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256899577 807002956 /nfs/dbraw/zinc/00/29/56/807002956.db2.gz HGMHHGIBWHAPGG-JYJNAYRXSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899577 807002961 /nfs/dbraw/zinc/00/29/61/807002961.db2.gz HGMHHGIBWHAPGG-JYJNAYRXSA-N 2 1 275.440 3.065 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C ZINC001138772325 804034629 /nfs/dbraw/zinc/03/46/29/804034629.db2.gz ZDWFMFXGOXIPEF-UHFFFAOYSA-N 2 1 290.451 3.414 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246018425 804100085 /nfs/dbraw/zinc/10/00/85/804100085.db2.gz DIZHZOWBVDGWGT-KSZLIROESA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246026317 804100921 /nfs/dbraw/zinc/10/09/21/804100921.db2.gz MIKDTRZBNMQAGS-ADKAHSJRSA-N 2 1 296.499 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246026317 804100923 /nfs/dbraw/zinc/10/09/23/804100923.db2.gz MIKDTRZBNMQAGS-ADKAHSJRSA-N 2 1 296.499 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001246048852 804103950 /nfs/dbraw/zinc/10/39/50/804103950.db2.gz NZXKEMXXJYRRFT-QZTJIDSGSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246068614 804108891 /nfs/dbraw/zinc/10/88/91/804108891.db2.gz WFIINFKXRBQJSM-GVDBMIGSSA-N 2 1 282.472 3.076 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246240079 804232689 /nfs/dbraw/zinc/23/26/89/804232689.db2.gz MDGAGSFNSIHGQH-CVEARBPZSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246263058 804243894 /nfs/dbraw/zinc/24/38/94/804243894.db2.gz QTJHHDPNBZZPCX-GVDBMIGSSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246263052 804244837 /nfs/dbraw/zinc/24/48/37/804244837.db2.gz QTJHHDPNBZZPCX-BRWVUGGUSA-N 2 1 284.488 3.218 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246334354 804289894 /nfs/dbraw/zinc/28/98/94/804289894.db2.gz CKTCAKGULPRDSE-CQSZACIVSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588238 804432095 /nfs/dbraw/zinc/43/20/95/804432095.db2.gz YFQVDJZCXQRFDP-BBWFWOEESA-N 2 1 284.488 3.013 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246605616 804441552 /nfs/dbraw/zinc/44/15/52/804441552.db2.gz PVIPURPCFUIEFS-MRXNPFEDSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246625254 804457023 /nfs/dbraw/zinc/45/70/23/804457023.db2.gz QETLNPSUHFQGIO-XHSDSOJGSA-N 2 1 252.446 3.277 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@@]34CC[NH2+]C4)C[C@H](C1)C2 ZINC001246646386 804474091 /nfs/dbraw/zinc/47/40/91/804474091.db2.gz ZIBILORXRSNAFD-WFFDWFOESA-N 2 1 274.452 3.339 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC2(C[NH2+]C2)CC1 ZINC001246815415 804531361 /nfs/dbraw/zinc/53/13/61/804531361.db2.gz BTYSPMIVMKRESL-LJQANCHMSA-N 2 1 294.442 3.141 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246838418 804546654 /nfs/dbraw/zinc/54/66/54/804546654.db2.gz BUQYDPWYPLNBSJ-IRXDYDNUSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246838418 804546656 /nfs/dbraw/zinc/54/66/56/804546656.db2.gz BUQYDPWYPLNBSJ-IRXDYDNUSA-N 2 1 258.409 3.205 20 30 CGEDMP N#CC1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256959980 807016527 /nfs/dbraw/zinc/01/65/27/807016527.db2.gz CKGMQPZHORAQBG-WFDLSTEJSA-N 2 1 275.440 3.051 20 30 CGEDMP Cc1cccc(N(C2CC[NH2+]CC2)C2CCC(C#N)CC2)[nH+]1 ZINC001256971678 807021609 /nfs/dbraw/zinc/02/16/09/807021609.db2.gz XXTAIODIYVQZLA-UHFFFAOYSA-N 2 1 298.434 3.031 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001248751041 804984785 /nfs/dbraw/zinc/98/47/85/804984785.db2.gz HHGFPEYHSIWADV-UHFFFAOYSA-N 2 1 285.435 3.037 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001248751041 804984791 /nfs/dbraw/zinc/98/47/91/804984791.db2.gz HHGFPEYHSIWADV-UHFFFAOYSA-N 2 1 285.435 3.037 20 30 CGEDMP C=CCCCC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862521 806993459 /nfs/dbraw/zinc/99/34/59/806993459.db2.gz NFPSDPMGGSUQDU-UHFFFAOYSA-N 2 1 273.424 3.339 20 30 CGEDMP C=CC[N@H+](C1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC001258018295 807266139 /nfs/dbraw/zinc/26/61/39/807266139.db2.gz KNHMPMHAPDHBPP-UHFFFAOYSA-N 2 1 252.446 3.393 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007415 807298993 /nfs/dbraw/zinc/29/89/93/807298993.db2.gz APQARNDJYRWSKO-ALXJQNPVSA-N 2 1 284.447 3.429 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007415 807298996 /nfs/dbraw/zinc/29/89/96/807298996.db2.gz APQARNDJYRWSKO-ALXJQNPVSA-N 2 1 284.447 3.429 20 30 CGEDMP C#C[C@H](C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022481 807300385 /nfs/dbraw/zinc/30/03/85/807300385.db2.gz SEMWDYWJYOAZBB-JYJNAYRXSA-N 2 1 270.420 3.039 20 30 CGEDMP C#CC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148103 807319112 /nfs/dbraw/zinc/31/91/12/807319112.db2.gz ATLUZCSENJKETM-UHFFFAOYSA-N 2 1 296.458 3.039 20 30 CGEDMP N#Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362780 807393098 /nfs/dbraw/zinc/39/30/98/807393098.db2.gz IRDCNKIQLHNYNW-LJQANCHMSA-N 2 1 295.430 3.010 20 30 CGEDMP CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169107092 807577612 /nfs/dbraw/zinc/57/76/12/807577612.db2.gz CHBAGTGHBLDYBX-FCGDIQPGSA-N 2 1 297.446 3.470 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171180475 808001944 /nfs/dbraw/zinc/00/19/44/808001944.db2.gz ALLUZJFJRBTHTN-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501144 808356262 /nfs/dbraw/zinc/35/62/62/808356262.db2.gz AGUTYVQAYWGFMI-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501144 808356271 /nfs/dbraw/zinc/35/62/71/808356271.db2.gz AGUTYVQAYWGFMI-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP C=CCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276036677 808985939 /nfs/dbraw/zinc/98/59/39/808985939.db2.gz WKDWRXSNKDMAFJ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276036677 808985941 /nfs/dbraw/zinc/98/59/41/808985941.db2.gz WKDWRXSNKDMAFJ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001276036677 808985944 /nfs/dbraw/zinc/98/59/44/808985944.db2.gz WKDWRXSNKDMAFJ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=C(CC)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC001196728086 811361080 /nfs/dbraw/zinc/36/10/80/811361080.db2.gz UIERTZNGWLASTL-UHFFFAOYSA-N 2 1 250.430 3.293 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003582 813161298 /nfs/dbraw/zinc/16/12/98/813161298.db2.gz JXHCFPGFPSURQX-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206013733 813165211 /nfs/dbraw/zinc/16/52/11/813165211.db2.gz UAEAPAGBHHTIBP-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001206311142 813284742 /nfs/dbraw/zinc/28/47/42/813284742.db2.gz JWLMXPWIDXSIMK-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222079709 816342147 /nfs/dbraw/zinc/34/21/47/816342147.db2.gz FEQXUYNWOUTPFO-UHFFFAOYSA-N 2 1 295.515 3.155 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCC12CC[NH2+]CC2 ZINC001235103584 819002266 /nfs/dbraw/zinc/00/22/66/819002266.db2.gz VDJAVLYSULVBOZ-UHFFFAOYSA-N 2 1 250.430 3.341 20 30 CGEDMP CCCCCCCC[N@@H+]1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001235399173 819084540 /nfs/dbraw/zinc/08/45/40/819084540.db2.gz ZINQPDCIIOCGJP-CABCVRRESA-N 2 1 270.436 3.356 20 30 CGEDMP C=CCCCC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC001236085575 819308404 /nfs/dbraw/zinc/30/84/04/819308404.db2.gz SIAGKCAUJNVPGI-UHFFFAOYSA-N 2 1 264.438 3.182 20 30 CGEDMP N#Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236373684 819443045 /nfs/dbraw/zinc/44/30/45/819443045.db2.gz JHTGAGXMOVRRPK-GOSISDBHSA-N 2 1 297.446 3.302 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](CCC)C[C@@H]2CC[NH2+]C2)cc1 ZINC001236836200 819614802 /nfs/dbraw/zinc/61/48/02/819614802.db2.gz SUXDUVBNJPAIDS-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC001354711883 937110861 /nfs/dbraw/zinc/11/08/61/937110861.db2.gz UDTZRBOFJREIAM-KRWDZBQOSA-N 2 1 285.435 3.091 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460804977 937545763 /nfs/dbraw/zinc/54/57/63/937545763.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460804977 937545764 /nfs/dbraw/zinc/54/57/64/937545764.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460804977 937545767 /nfs/dbraw/zinc/54/57/67/937545767.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 2 1 296.458 3.242 20 30 CGEDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096293 933999135 /nfs/dbraw/zinc/99/91/35/933999135.db2.gz RHQNUFMYVVZKSB-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096293 933999137 /nfs/dbraw/zinc/99/91/37/933999137.db2.gz RHQNUFMYVVZKSB-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC001336762882 936215604 /nfs/dbraw/zinc/21/56/04/936215604.db2.gz LRWWOFWHDMHGIH-SFHVURJKSA-N 2 1 298.434 3.060 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC001336762882 936215608 /nfs/dbraw/zinc/21/56/08/936215608.db2.gz LRWWOFWHDMHGIH-SFHVURJKSA-N 2 1 298.434 3.060 20 30 CGEDMP C#CCC[N@H+](CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001560035707 938242146 /nfs/dbraw/zinc/24/21/46/938242146.db2.gz DDBPBWNRPNEPOX-UHFFFAOYSA-N 2 1 264.457 3.421 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734671 346624849 /nfs/dbraw/zinc/62/48/49/346624849.db2.gz SLTGRGKIYQQQHC-SJLPKXTDSA-N 2 1 299.462 3.426 20 30 CGEDMP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000596984206 347524385 /nfs/dbraw/zinc/52/43/85/347524385.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982699 347524490 /nfs/dbraw/zinc/52/44/90/347524490.db2.gz FXVAIPGUKBPWNN-UHFFFAOYSA-N 2 1 297.446 3.158 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982699 347524494 /nfs/dbraw/zinc/52/44/94/347524494.db2.gz FXVAIPGUKBPWNN-UHFFFAOYSA-N 2 1 297.446 3.158 20 30 CGEDMP CN1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971529 347702513 /nfs/dbraw/zinc/70/25/13/347702513.db2.gz VIRIUEDKIGIRHG-MRXNPFEDSA-N 2 1 283.419 3.010 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971529 347702515 /nfs/dbraw/zinc/70/25/15/347702515.db2.gz VIRIUEDKIGIRHG-MRXNPFEDSA-N 2 1 283.419 3.010 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971529 347702516 /nfs/dbraw/zinc/70/25/16/347702516.db2.gz VIRIUEDKIGIRHG-MRXNPFEDSA-N 2 1 283.419 3.010 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071996 347714468 /nfs/dbraw/zinc/71/44/68/347714468.db2.gz WBBZOIPBZCJGNO-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602516442 347974334 /nfs/dbraw/zinc/97/43/34/347974334.db2.gz LVYSBVUFXFYEHI-INIZCTEOSA-N 2 1 299.462 3.489 20 30 CGEDMP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(C#N)CC2)([NH+](C)C)C1 ZINC000602517715 347974534 /nfs/dbraw/zinc/97/45/34/347974534.db2.gz FAISYRBFSLTPEA-RDHHWEPZSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521157 347975113 /nfs/dbraw/zinc/97/51/13/347975113.db2.gz NGKREHFPBLQTDD-ZXDRNQKISA-N 2 1 277.456 3.025 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603570 347992206 /nfs/dbraw/zinc/99/22/06/347992206.db2.gz DIZSGRXDTNRLCW-FUHWJXTLSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603570 347992209 /nfs/dbraw/zinc/99/22/09/347992209.db2.gz DIZSGRXDTNRLCW-FUHWJXTLSA-N 2 1 283.419 3.248 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602543647 347979393 /nfs/dbraw/zinc/97/93/93/347979393.db2.gz FGKRUCGYJVVRNP-HNNXBMFYSA-N 2 1 273.424 3.168 20 30 CGEDMP Cc1cc(C#N)ccc1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000614402276 348673864 /nfs/dbraw/zinc/67/38/64/348673864.db2.gz QEFKKHNIPRFOOE-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000614402276 348673867 /nfs/dbraw/zinc/67/38/67/348673867.db2.gz QEFKKHNIPRFOOE-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000614402276 348673868 /nfs/dbraw/zinc/67/38/68/348673868.db2.gz QEFKKHNIPRFOOE-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000614402276 348673871 /nfs/dbraw/zinc/67/38/71/348673871.db2.gz QEFKKHNIPRFOOE-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000614402276 348673874 /nfs/dbraw/zinc/67/38/74/348673874.db2.gz QEFKKHNIPRFOOE-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631582688 351076768 /nfs/dbraw/zinc/07/67/68/351076768.db2.gz UDMHVWINUQVMFH-GOSISDBHSA-N 2 1 285.435 3.089 20 30 CGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000179668056 189211529 /nfs/dbraw/zinc/21/15/29/189211529.db2.gz GMFKPNCOHFIDKV-KBPBESRZSA-N 2 1 282.391 3.050 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037236965 369078278 /nfs/dbraw/zinc/07/82/78/369078278.db2.gz RCUDEBWCTJLWIG-CQSZACIVSA-N 2 1 271.408 3.083 20 30 CGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423016335 371916853 /nfs/dbraw/zinc/91/68/53/371916853.db2.gz MGAMSFZVWDSAKL-RTBURBONSA-N 2 1 291.398 3.195 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449131834 373664228 /nfs/dbraw/zinc/66/42/28/373664228.db2.gz PXWLKCYEZLPVHR-GTPINHCMSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449382316 373687164 /nfs/dbraw/zinc/68/71/64/373687164.db2.gz BYODHDNDMUUOBW-ZACQAIPSSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCN1C ZINC000181574798 374141919 /nfs/dbraw/zinc/14/19/19/374141919.db2.gz JQMIHSWCZRFBMK-UAGQMJEPSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000181574798 374141926 /nfs/dbraw/zinc/14/19/26/374141926.db2.gz JQMIHSWCZRFBMK-UAGQMJEPSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574798 374141933 /nfs/dbraw/zinc/14/19/33/374141933.db2.gz JQMIHSWCZRFBMK-UAGQMJEPSA-N 2 1 271.408 3.104 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000183738026 374449026 /nfs/dbraw/zinc/44/90/26/374449026.db2.gz MJRGELZIGUZLCV-HZPDHXFCSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000574529937 335027526 /nfs/dbraw/zinc/02/75/26/335027526.db2.gz NXPATMMSMUDOOU-UHFFFAOYSA-N 2 1 287.382 3.180 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1F ZINC000574529937 335027527 /nfs/dbraw/zinc/02/75/27/335027527.db2.gz NXPATMMSMUDOOU-UHFFFAOYSA-N 2 1 287.382 3.180 20 30 CGEDMP C=CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000187694719 375075436 /nfs/dbraw/zinc/07/54/36/375075436.db2.gz MVOXXNAXLVFEKQ-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000187694719 375075441 /nfs/dbraw/zinc/07/54/41/375075441.db2.gz MVOXXNAXLVFEKQ-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000187694719 375075447 /nfs/dbraw/zinc/07/54/47/375075447.db2.gz MVOXXNAXLVFEKQ-HZPDHXFCSA-N 2 1 252.446 3.395 20 30 CGEDMP C=C(C)CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000509274764 375777901 /nfs/dbraw/zinc/77/79/01/375777901.db2.gz BGNTXYWSHGFIDS-UHFFFAOYSA-N 2 1 252.446 3.397 20 30 CGEDMP N#CCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000343524139 378006394 /nfs/dbraw/zinc/00/63/94/378006394.db2.gz ISTPLEAJPJKAAJ-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP N#CCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000343524139 378006398 /nfs/dbraw/zinc/00/63/98/378006398.db2.gz ISTPLEAJPJKAAJ-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000578549534 378080156 /nfs/dbraw/zinc/08/01/56/378080156.db2.gz QJXNJLXXNHFYDI-BZUAXINKSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934260 378522328 /nfs/dbraw/zinc/52/23/28/378522328.db2.gz MLHFIDOMSNDTPV-ZDUSSCGKSA-N 2 1 277.387 3.080 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272878646 378717374 /nfs/dbraw/zinc/71/73/74/378717374.db2.gz XIPHUXRREXOHDZ-LZLYRXPVSA-N 2 1 272.436 3.451 20 30 CGEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301770 379413119 /nfs/dbraw/zinc/41/31/19/379413119.db2.gz LBLQLLOCOITGPJ-IBGZPJMESA-N 2 1 295.430 3.132 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301770 379413126 /nfs/dbraw/zinc/41/31/26/379413126.db2.gz LBLQLLOCOITGPJ-IBGZPJMESA-N 2 1 295.430 3.132 20 30 CGEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301770 379413135 /nfs/dbraw/zinc/41/31/35/379413135.db2.gz LBLQLLOCOITGPJ-IBGZPJMESA-N 2 1 295.430 3.132 20 30 CGEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301770 379413140 /nfs/dbraw/zinc/41/31/40/379413140.db2.gz LBLQLLOCOITGPJ-IBGZPJMESA-N 2 1 295.430 3.132 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298283 380845945 /nfs/dbraw/zinc/84/59/45/380845945.db2.gz DWBMXWOLUUJFPN-AWEZNQCLSA-N 2 1 264.438 3.126 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431162 381743045 /nfs/dbraw/zinc/74/30/45/381743045.db2.gz CJZGXRLCJOHMMM-SJLPKXTDSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431162 381743056 /nfs/dbraw/zinc/74/30/56/381743056.db2.gz CJZGXRLCJOHMMM-SJLPKXTDSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121845798 392416158 /nfs/dbraw/zinc/41/61/58/392416158.db2.gz MRZMXJCLCRXGCR-ZDUSSCGKSA-N 2 1 255.365 3.407 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000122760637 392423419 /nfs/dbraw/zinc/42/34/19/392423419.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000122760637 392423426 /nfs/dbraw/zinc/42/34/26/392423426.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000122760637 392423433 /nfs/dbraw/zinc/42/34/33/392423433.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000122760637 392423440 /nfs/dbraw/zinc/42/34/40/392423440.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 2 1 288.435 3.025 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000338942726 392936635 /nfs/dbraw/zinc/93/66/35/392936635.db2.gz OAWBMOAEZLAIRN-FGTMMUONSA-N 2 1 289.467 3.123 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1C#N ZINC000488405923 393500666 /nfs/dbraw/zinc/50/06/66/393500666.db2.gz JYVZHMUZESHKDC-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1C#N ZINC000488405923 393500671 /nfs/dbraw/zinc/50/06/71/393500671.db2.gz JYVZHMUZESHKDC-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488421236 393506074 /nfs/dbraw/zinc/50/60/74/393506074.db2.gz NBIZRQRIBDTWRQ-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488421236 393506077 /nfs/dbraw/zinc/50/60/77/393506077.db2.gz NBIZRQRIBDTWRQ-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438453 393513020 /nfs/dbraw/zinc/51/30/20/393513020.db2.gz GHNIOYIJIDJOMD-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438453 393513027 /nfs/dbraw/zinc/51/30/27/393513027.db2.gz GHNIOYIJIDJOMD-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438453 393513033 /nfs/dbraw/zinc/51/30/33/393513033.db2.gz GHNIOYIJIDJOMD-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488438453 393513039 /nfs/dbraw/zinc/51/30/39/393513039.db2.gz GHNIOYIJIDJOMD-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707082 287347636 /nfs/dbraw/zinc/34/76/36/287347636.db2.gz WISBJDMWQYXFNC-MRXNPFEDSA-N 2 1 285.435 3.160 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412720 543787762 /nfs/dbraw/zinc/78/77/62/543787762.db2.gz RLDQYYYZDRRBHU-JENIJYKNSA-N 2 1 284.447 3.289 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412720 543787765 /nfs/dbraw/zinc/78/77/65/543787765.db2.gz RLDQYYYZDRRBHU-JENIJYKNSA-N 2 1 284.447 3.289 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661054 419177444 /nfs/dbraw/zinc/17/74/44/419177444.db2.gz BLWUSBHNJAXHTC-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000661378493 419256123 /nfs/dbraw/zinc/25/61/23/419256123.db2.gz HOIVLLDTUHMYOD-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000661378493 419256125 /nfs/dbraw/zinc/25/61/25/419256125.db2.gz HOIVLLDTUHMYOD-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000661378493 419256128 /nfs/dbraw/zinc/25/61/28/419256128.db2.gz HOIVLLDTUHMYOD-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657583769 419309511 /nfs/dbraw/zinc/30/95/11/419309511.db2.gz PZHKYIYDVUZQMG-KRWDZBQOSA-N 2 1 270.420 3.349 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657583769 419309514 /nfs/dbraw/zinc/30/95/14/419309514.db2.gz PZHKYIYDVUZQMG-KRWDZBQOSA-N 2 1 270.420 3.349 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000657889525 419413648 /nfs/dbraw/zinc/41/36/48/419413648.db2.gz MSGQTJWTQQOGAL-FZKCQIBNSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000657889525 419413661 /nfs/dbraw/zinc/41/36/61/419413661.db2.gz MSGQTJWTQQOGAL-FZKCQIBNSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029964 419504658 /nfs/dbraw/zinc/50/46/58/419504658.db2.gz UFAFCMSQRWRXSF-MKXAEBJUSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029965 419505512 /nfs/dbraw/zinc/50/55/12/419505512.db2.gz UFAFCMSQRWRXSF-UCHQMPSGSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658113768 419587939 /nfs/dbraw/zinc/58/79/39/419587939.db2.gz JBQWBEHTLCEETF-BCDXTJNWSA-N 2 1 270.420 3.348 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228374 419687753 /nfs/dbraw/zinc/68/77/53/419687753.db2.gz IIWUWWGJUFCIBH-GJZGRUSLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228374 419687763 /nfs/dbraw/zinc/68/77/63/419687763.db2.gz IIWUWWGJUFCIBH-GJZGRUSLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000658239467 419696455 /nfs/dbraw/zinc/69/64/55/419696455.db2.gz VDJHBLTXAHLIBY-PMPSAXMXSA-N 2 1 250.430 3.195 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357477 260129227 /nfs/dbraw/zinc/12/92/27/260129227.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000363357477 260129229 /nfs/dbraw/zinc/12/92/29/260129229.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363357477 260129230 /nfs/dbraw/zinc/12/92/30/260129230.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 2 1 297.446 3.278 20 30 CGEDMP N#CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357477 260129232 /nfs/dbraw/zinc/12/92/32/260129232.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 2 1 297.446 3.278 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@@H]2C[C@H]2C)CC1 ZINC000414126559 262807428 /nfs/dbraw/zinc/80/74/28/262807428.db2.gz RMQMXCOSEFKONP-FVQBIDKESA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289424358 263110078 /nfs/dbraw/zinc/11/00/78/263110078.db2.gz QXDCHDBTGSOYJF-UHFFFAOYSA-N 2 1 260.381 3.199 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000298429420 263219301 /nfs/dbraw/zinc/21/93/01/263219301.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429420 263219303 /nfs/dbraw/zinc/21/93/03/263219303.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429420 263219305 /nfs/dbraw/zinc/21/93/05/263219305.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 2 1 297.446 3.277 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564893 267186257 /nfs/dbraw/zinc/18/62/57/267186257.db2.gz XGUSFFSTHXGMKV-HRCADAONSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000378402584 329049166 /nfs/dbraw/zinc/04/91/66/329049166.db2.gz MJRTUWUUSHYIIQ-XYJFISCASA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000378402584 329049167 /nfs/dbraw/zinc/04/91/67/329049167.db2.gz MJRTUWUUSHYIIQ-XYJFISCASA-N 2 1 272.436 3.451 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185761074 329331275 /nfs/dbraw/zinc/33/12/75/329331275.db2.gz CKZLOLWNUCCUEM-ZWKOTPCHSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429696012 330087178 /nfs/dbraw/zinc/08/71/78/330087178.db2.gz QRYZMCPULDHHFQ-ZJPYXAASSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429696012 330087179 /nfs/dbraw/zinc/08/71/79/330087179.db2.gz QRYZMCPULDHHFQ-ZJPYXAASSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429696012 330087181 /nfs/dbraw/zinc/08/71/81/330087181.db2.gz QRYZMCPULDHHFQ-ZJPYXAASSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429696012 330087183 /nfs/dbraw/zinc/08/71/83/330087183.db2.gz QRYZMCPULDHHFQ-ZJPYXAASSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429696012 330087185 /nfs/dbraw/zinc/08/71/85/330087185.db2.gz QRYZMCPULDHHFQ-ZJPYXAASSA-N 2 1 289.467 3.265 20 30 CGEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)C1CC1 ZINC000121045243 330395329 /nfs/dbraw/zinc/39/53/29/330395329.db2.gz LUSPYOKRXPTHGZ-KRWDZBQOSA-N 2 1 262.441 3.361 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453195077 331099993 /nfs/dbraw/zinc/09/99/93/331099993.db2.gz OPNYCYJMMJKBHY-OTWHNJEPSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000425530427 534079319 /nfs/dbraw/zinc/07/93/19/534079319.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000425530427 534079330 /nfs/dbraw/zinc/07/93/30/534079330.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000425530427 534079337 /nfs/dbraw/zinc/07/93/37/534079337.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000425530427 534079342 /nfs/dbraw/zinc/07/93/42/534079342.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423302541 528955711 /nfs/dbraw/zinc/95/57/11/528955711.db2.gz VRJWPFDCKCLBQW-CVEARBPZSA-N 2 1 259.397 3.116 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423302545 528958628 /nfs/dbraw/zinc/95/86/28/528958628.db2.gz VRJWPFDCKCLBQW-HZPDHXFCSA-N 2 1 259.397 3.116 20 30 CGEDMP C[NH+]1C[C@]2(C)C[NH+](CCCCC3(C#N)CCC3)C[C@@]2(C)C1 ZINC000931316941 619143257 /nfs/dbraw/zinc/14/32/57/619143257.db2.gz LPQRSXREQKXEEY-IAGOWNOFSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@@]2(C)C1 ZINC000931317566 619143274 /nfs/dbraw/zinc/14/32/74/619143274.db2.gz PBSBZWFJZNKJNR-IAGOWNOFSA-N 2 1 289.467 3.124 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790956 619249710 /nfs/dbraw/zinc/24/97/10/619249710.db2.gz JVEWJJLTXHVKSB-DLBZAZTESA-N 2 1 294.483 3.260 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@]1(C)CCCCO1 ZINC000902753656 621425413 /nfs/dbraw/zinc/42/54/13/621425413.db2.gz RPNUASOPEHLLLV-FGTMMUONSA-N 2 1 294.483 3.212 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761552 621430374 /nfs/dbraw/zinc/43/03/74/621430374.db2.gz SJGMDLVAMZDDRB-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818728 621453937 /nfs/dbraw/zinc/45/39/37/621453937.db2.gz POFNPEJVXFZXSA-COXVUDFISA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000902818728 621453948 /nfs/dbraw/zinc/45/39/48/621453948.db2.gz POFNPEJVXFZXSA-COXVUDFISA-N 2 1 271.408 3.082 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@]1(C)CCCCO1 ZINC000902819776 621455381 /nfs/dbraw/zinc/45/53/81/621455381.db2.gz WYFRVHQCOQWDAO-MHORFTMASA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@]1(C)CCCCO1 ZINC000902819776 621455385 /nfs/dbraw/zinc/45/53/85/621455385.db2.gz WYFRVHQCOQWDAO-MHORFTMASA-N 2 1 294.483 3.353 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376162 621721457 /nfs/dbraw/zinc/72/14/57/621721457.db2.gz AOXOOKWVMSTGGI-NJAFHUGGSA-N 2 1 287.451 3.409 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376161 621721713 /nfs/dbraw/zinc/72/17/13/621721713.db2.gz AOXOOKWVMSTGGI-KBAYOESNSA-N 2 1 287.451 3.409 20 30 CGEDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903425071 621750961 /nfs/dbraw/zinc/75/09/61/621750961.db2.gz QNDMEOMYPBSWQJ-HNNXBMFYSA-N 2 1 279.815 3.017 20 30 CGEDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000903425071 621750975 /nfs/dbraw/zinc/75/09/75/621750975.db2.gz QNDMEOMYPBSWQJ-HNNXBMFYSA-N 2 1 279.815 3.017 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000903459937 621752372 /nfs/dbraw/zinc/75/23/72/621752372.db2.gz RPROFEKOWPHWBB-MRXNPFEDSA-N 2 1 297.446 3.139 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000903453676 621761397 /nfs/dbraw/zinc/76/13/97/621761397.db2.gz HZOHYAXXNAHFLH-OPQOLIRYSA-N 2 1 289.467 3.028 20 30 CGEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC000903812597 621814832 /nfs/dbraw/zinc/81/48/32/621814832.db2.gz UNZKUQOJLZTRSP-SFHVURJKSA-N 2 1 297.446 3.084 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183146791 625050743 /nfs/dbraw/zinc/05/07/43/625050743.db2.gz OIRASKUVTRMHJL-HSALFYBXSA-N 2 1 296.458 3.290 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183146756 625051424 /nfs/dbraw/zinc/05/14/24/625051424.db2.gz OIRASKUVTRMHJL-SLFFLAALSA-N 2 1 296.458 3.290 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921915343 625928294 /nfs/dbraw/zinc/92/82/94/625928294.db2.gz TYJKFLSGCZLVEW-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921915343 625928297 /nfs/dbraw/zinc/92/82/97/625928297.db2.gz TYJKFLSGCZLVEW-CQSZACIVSA-N 2 1 291.464 3.077 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977668 632269054 /nfs/dbraw/zinc/26/90/54/632269054.db2.gz NPXQAKQFROLCHU-UPJWGTAASA-N 2 1 282.815 3.204 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750992 638400176 /nfs/dbraw/zinc/40/01/76/638400176.db2.gz HZIGGZHSWDAXIK-HUUCEWRRSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750992 638400180 /nfs/dbraw/zinc/40/01/80/638400180.db2.gz HZIGGZHSWDAXIK-HUUCEWRRSA-N 2 1 279.472 3.415 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779787 638950630 /nfs/dbraw/zinc/95/06/30/638950630.db2.gz OJVWGPQTSGNVEO-QGZVFWFLSA-N 2 1 299.462 3.339 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779787 638950631 /nfs/dbraw/zinc/95/06/31/638950631.db2.gz OJVWGPQTSGNVEO-QGZVFWFLSA-N 2 1 299.462 3.339 20 30 CGEDMP CC(C)[NH2+]C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000929961870 638964502 /nfs/dbraw/zinc/96/45/02/638964502.db2.gz OTKGRVMPAOAOHE-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC001252122758 806010141 /nfs/dbraw/zinc/01/01/41/806010141.db2.gz ZIECMCMHGNTMHU-QGZVFWFLSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001252122758 806010148 /nfs/dbraw/zinc/01/01/48/806010148.db2.gz ZIECMCMHGNTMHU-QGZVFWFLSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252136107 806021784 /nfs/dbraw/zinc/02/17/84/806021784.db2.gz MNGRVQGHHGGFOZ-XMTFNYHQSA-N 2 1 296.499 3.313 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001253238836 806189721 /nfs/dbraw/zinc/18/97/21/806189721.db2.gz IFNFRZWDZBQUBM-SFHVURJKSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001253238836 806189723 /nfs/dbraw/zinc/18/97/23/806189723.db2.gz IFNFRZWDZBQUBM-SFHVURJKSA-N 2 1 296.499 3.290 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525082 806439643 /nfs/dbraw/zinc/43/96/43/806439643.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525082 806439648 /nfs/dbraw/zinc/43/96/48/806439648.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](C)CC1 ZINC001254525082 806439651 /nfs/dbraw/zinc/43/96/51/806439651.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP CCC(CC)[N@@H+]([C@H](CC)CC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160602 806559764 /nfs/dbraw/zinc/55/97/64/806559764.db2.gz MKYMCFCZRJMQQO-FVQBIDKESA-N 2 1 265.445 3.439 20 30 CGEDMP C=CCc1cc(C)c[nH+]c1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162459679 806588648 /nfs/dbraw/zinc/58/86/48/806588648.db2.gz FRZFAAHUBFXLLW-GOEBONIOSA-N 2 1 273.424 3.166 20 30 CGEDMP C=CCCCC[N@@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683405 806703673 /nfs/dbraw/zinc/70/36/73/806703673.db2.gz OKMFVEOPZSSJPD-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[N@H+](C)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255683405 806703680 /nfs/dbraw/zinc/70/36/80/806703680.db2.gz OKMFVEOPZSSJPD-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255683405 806703682 /nfs/dbraw/zinc/70/36/82/806703682.db2.gz OKMFVEOPZSSJPD-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCC[NH+](C)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255683405 806703689 /nfs/dbraw/zinc/70/36/89/806703689.db2.gz OKMFVEOPZSSJPD-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP N#CCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256611124 806925179 /nfs/dbraw/zinc/92/51/79/806925179.db2.gz OHOKNFRBWSDAMF-UHFFFAOYSA-N 2 1 297.446 3.277 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246019431 804099756 /nfs/dbraw/zinc/09/97/56/804099756.db2.gz HIAFDHKJWFFKSY-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246019431 804099767 /nfs/dbraw/zinc/09/97/67/804099767.db2.gz HIAFDHKJWFFKSY-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001246024488 804100600 /nfs/dbraw/zinc/10/06/00/804100600.db2.gz VVFHGHRDCPHEFK-ZACQAIPSSA-N 2 1 284.488 3.015 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246025654 804100639 /nfs/dbraw/zinc/10/06/39/804100639.db2.gz LSRCVWWOLVOJHM-OKZBNKHCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246025654 804100644 /nfs/dbraw/zinc/10/06/44/804100644.db2.gz LSRCVWWOLVOJHM-OKZBNKHCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246034081 804102069 /nfs/dbraw/zinc/10/20/69/804102069.db2.gz PSMIYPWWZJAUGF-BZSNNMDCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246034081 804102072 /nfs/dbraw/zinc/10/20/72/804102072.db2.gz PSMIYPWWZJAUGF-BZSNNMDCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 ZINC001246174347 804188875 /nfs/dbraw/zinc/18/88/75/804188875.db2.gz KAVRUHMQYKSFIW-HUUCEWRRSA-N 2 1 258.425 3.417 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246213504 804209945 /nfs/dbraw/zinc/20/99/45/804209945.db2.gz QTJHHDPNBZZPCX-BBWFWOEESA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246307771 804271494 /nfs/dbraw/zinc/27/14/94/804271494.db2.gz NFPGKTMRCOVFDW-IXDOHACOSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246327540 804284554 /nfs/dbraw/zinc/28/45/54/804284554.db2.gz OICZWAIQKPOEEF-KKUMJFAQSA-N 2 1 288.435 3.431 20 30 CGEDMP C=C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccccc1 ZINC001246487456 804357115 /nfs/dbraw/zinc/35/71/15/804357115.db2.gz FMSKTMHIPOPQEV-GVDBMIGSSA-N 2 1 258.409 3.280 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246596193 804437191 /nfs/dbraw/zinc/43/71/91/804437191.db2.gz PLOJRJKARYJJHF-QGZVFWFLSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246632132 804462564 /nfs/dbraw/zinc/46/25/64/804462564.db2.gz UVJWPSIUQPZHNP-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647305 804475464 /nfs/dbraw/zinc/47/54/64/804475464.db2.gz RMFJEWOUDNJXNO-KURKYZTESA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246649847 804477206 /nfs/dbraw/zinc/47/72/06/804477206.db2.gz QEDAYQBATMUZAV-SJORKVTESA-N 2 1 282.472 3.190 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652450 804479160 /nfs/dbraw/zinc/47/91/60/804479160.db2.gz OYBBBZJLLVIGNX-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246652450 804479162 /nfs/dbraw/zinc/47/91/62/804479162.db2.gz OYBBBZJLLVIGNX-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001246687851 804497691 /nfs/dbraw/zinc/49/76/91/804497691.db2.gz XJVKBYMRPBIWIA-WNRNVDISSA-N 2 1 294.483 3.188 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770967 804503385 /nfs/dbraw/zinc/50/33/85/804503385.db2.gz UFFDAPICGYNZAO-WBVHZDCISA-N 2 1 277.456 3.455 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770967 804503389 /nfs/dbraw/zinc/50/33/89/804503389.db2.gz UFFDAPICGYNZAO-WBVHZDCISA-N 2 1 277.456 3.455 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246862819 804567645 /nfs/dbraw/zinc/56/76/45/804567645.db2.gz RVNYJFCTYITMEU-INIZCTEOSA-N 2 1 284.447 3.478 20 30 CGEDMP CCCC[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908769 804592713 /nfs/dbraw/zinc/59/27/13/804592713.db2.gz MNEMSEIOTBMEFR-ROUUACIJSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001246908769 804592719 /nfs/dbraw/zinc/59/27/19/804592719.db2.gz MNEMSEIOTBMEFR-ROUUACIJSA-N 2 1 285.435 3.301 20 30 CGEDMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013149 807028389 /nfs/dbraw/zinc/02/83/89/807028389.db2.gz BCAINEOFEKCUKN-NNGSBXSVSA-N 2 1 285.435 3.111 20 30 CGEDMP N#CC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995372 807293752 /nfs/dbraw/zinc/29/37/52/807293752.db2.gz CSIPSCVIIRCOIH-NAZJXLNTSA-N 2 1 287.451 3.017 20 30 CGEDMP C=CC[N@H+](C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001168389641 807401343 /nfs/dbraw/zinc/40/13/43/807401343.db2.gz VGYSSTCYIKKGJP-UHFFFAOYSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CC[N@@H+](C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001168389641 807401346 /nfs/dbraw/zinc/40/13/46/807401346.db2.gz VGYSSTCYIKKGJP-UHFFFAOYSA-N 2 1 250.430 3.147 20 30 CGEDMP CCC[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001258768320 807603760 /nfs/dbraw/zinc/60/37/60/807603760.db2.gz IJNXPRNHPYODQE-UHFFFAOYSA-N 2 1 283.419 3.011 20 30 CGEDMP C#CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077182 808169642 /nfs/dbraw/zinc/16/96/42/808169642.db2.gz PJIWEODWYBCZDP-REPLKXPHSA-N 2 1 282.431 3.185 20 30 CGEDMP C=CCOC1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001173312725 808606671 /nfs/dbraw/zinc/60/66/71/808606671.db2.gz KXMZXSIGJMERSD-WWDZGPRUSA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCOC1CCC([NH+]2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001173322886 808611208 /nfs/dbraw/zinc/61/12/08/808611208.db2.gz OUNAPOYYNXUHNC-UHFFFAOYSA-N 2 1 292.467 3.059 20 30 CGEDMP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274961774 808894683 /nfs/dbraw/zinc/89/46/83/808894683.db2.gz ALJTWPGPZOCINH-SFHVURJKSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274961774 808894692 /nfs/dbraw/zinc/89/46/92/808894692.db2.gz ALJTWPGPZOCINH-SFHVURJKSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274961774 808894697 /nfs/dbraw/zinc/89/46/97/808894697.db2.gz ALJTWPGPZOCINH-SFHVURJKSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274961774 808894705 /nfs/dbraw/zinc/89/47/05/808894705.db2.gz ALJTWPGPZOCINH-SFHVURJKSA-N 2 1 287.451 3.269 20 30 CGEDMP CCc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC001278038282 809112889 /nfs/dbraw/zinc/11/28/89/809112889.db2.gz YFPSHSQPILRLQO-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1C#N ZINC001278038282 809112893 /nfs/dbraw/zinc/11/28/93/809112893.db2.gz YFPSHSQPILRLQO-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC001278038282 809112898 /nfs/dbraw/zinc/11/28/98/809112898.db2.gz YFPSHSQPILRLQO-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC001278038282 809112901 /nfs/dbraw/zinc/11/29/01/809112901.db2.gz YFPSHSQPILRLQO-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CC#CC[N@H+](CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983326 809226899 /nfs/dbraw/zinc/22/68/99/809226899.db2.gz HEQQONPXGSHIAC-UHFFFAOYSA-N 2 1 264.457 3.421 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203760555 812456339 /nfs/dbraw/zinc/45/63/39/812456339.db2.gz LZEZZFITELNUEQ-LJQANCHMSA-N 2 1 297.446 3.399 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203760555 812456342 /nfs/dbraw/zinc/45/63/42/812456342.db2.gz LZEZZFITELNUEQ-LJQANCHMSA-N 2 1 297.446 3.399 20 30 CGEDMP C=C(C)C[N@H+](CC)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204269565 812592846 /nfs/dbraw/zinc/59/28/46/812592846.db2.gz FNZWPWRUXVWZMB-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@H]1C[NH3+] ZINC001205626670 813031665 /nfs/dbraw/zinc/03/16/65/813031665.db2.gz HWMIAPDHVAWGJZ-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762393 813069524 /nfs/dbraw/zinc/06/95/24/813069524.db2.gz LURCYWZBXWTWGU-ZDUSSCGKSA-N 2 1 260.372 3.039 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001206003583 813161680 /nfs/dbraw/zinc/16/16/80/813161680.db2.gz JXHCFPGFPSURQX-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206004798 813162556 /nfs/dbraw/zinc/16/25/56/813162556.db2.gz VOZADUBJTWMWRC-JKSUJKDBSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206012106 813165103 /nfs/dbraw/zinc/16/51/03/813165103.db2.gz IWICWMCCRVQQRZ-NVXWUHKLSA-N 2 1 288.435 3.058 20 30 CGEDMP CC[NH+](CC)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853658 813866648 /nfs/dbraw/zinc/86/66/48/813866648.db2.gz RBUCQAWZVDKUGG-UHFFFAOYSA-N 2 1 299.462 3.297 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001209439657 814038189 /nfs/dbraw/zinc/03/81/89/814038189.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCCCCC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209439657 814038194 /nfs/dbraw/zinc/03/81/94/814038194.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209439657 814038206 /nfs/dbraw/zinc/03/82/06/814038206.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP CCCCCCCC[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222400760 816434321 /nfs/dbraw/zinc/43/43/21/816434321.db2.gz GWLMSLJBDKBQHO-UHFFFAOYSA-N 2 1 282.472 3.049 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979502 818969571 /nfs/dbraw/zinc/96/95/71/818969571.db2.gz OKERLPYGSSRBEE-KZQNYRHTSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033227 818985120 /nfs/dbraw/zinc/98/51/20/818985120.db2.gz VSUQRYPJRSYFHS-MRXNPFEDSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210970 819037024 /nfs/dbraw/zinc/03/70/24/819037024.db2.gz SGKBFJIJRMITCE-ZSHCYNCHSA-N 2 1 250.430 3.182 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235411008 819089481 /nfs/dbraw/zinc/08/94/81/819089481.db2.gz ZSFUCMXGXZDUCW-FGTMMUONSA-N 2 1 292.442 3.313 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235703027 819147295 /nfs/dbraw/zinc/14/72/95/819147295.db2.gz ORKRDSJQPQXMQD-QGZVFWFLSA-N 2 1 258.409 3.064 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235961522 819248946 /nfs/dbraw/zinc/24/89/46/819248946.db2.gz DUOZZKIWONHJEU-UHFFFAOYSA-N 2 1 278.399 3.478 20 30 CGEDMP C=CC[N@H+](CC1(C)CC[NH2+]CC1)C1CCCCC1 ZINC001236433503 819476574 /nfs/dbraw/zinc/47/65/74/819476574.db2.gz JQKMELHTHLXJBD-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC001461614798 937588806 /nfs/dbraw/zinc/58/88/06/937588806.db2.gz BEGJQMOKIHXBNF-HOTGVXAUSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461676507 937591772 /nfs/dbraw/zinc/59/17/72/937591772.db2.gz POEMYRPEMXGUQN-CQSZACIVSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC001560245877 938249125 /nfs/dbraw/zinc/24/91/25/938249125.db2.gz VZYNQCIDJMSIBE-CVEARBPZSA-N 2 1 252.446 3.440 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575690134 962409266 /nfs/dbraw/zinc/40/92/66/962409266.db2.gz RWSFSFCFBOLTDH-YQQQUEKLSA-N 2 1 297.446 3.299 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000651692899 398270240 /nfs/dbraw/zinc/27/02/40/398270240.db2.gz WBKJEAVFRXJFRZ-PMPSAXMXSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000651706048 398271701 /nfs/dbraw/zinc/27/17/01/398271701.db2.gz QGWFMFPCKFONEL-IKGGRYGDSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C#N)c1 ZINC000591571043 346928824 /nfs/dbraw/zinc/92/88/24/346928824.db2.gz XKSBBGPHXZPSKK-UYHISHBKSA-N 2 1 277.371 3.354 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000591582320 346929850 /nfs/dbraw/zinc/92/98/50/346929850.db2.gz HAYNGEVZJYLUIK-WFASDCNBSA-N 2 1 287.382 3.023 20 30 CGEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001475 345986847 /nfs/dbraw/zinc/98/68/47/345986847.db2.gz DAWIAGVUVZQCDK-QGZVFWFLSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000157169587 346160816 /nfs/dbraw/zinc/16/08/16/346160816.db2.gz ZQSMQZPEMABIJN-INIZCTEOSA-N 2 1 250.430 3.006 20 30 CGEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495314 347178337 /nfs/dbraw/zinc/17/83/37/347178337.db2.gz QGXXWYILVJTRRZ-UHFFFAOYSA-N 2 1 287.451 3.308 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495314 347178341 /nfs/dbraw/zinc/17/83/41/347178341.db2.gz QGXXWYILVJTRRZ-UHFFFAOYSA-N 2 1 287.451 3.308 20 30 CGEDMP CC[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594517008 347186514 /nfs/dbraw/zinc/18/65/14/347186514.db2.gz UBYNAYGRLMMLLI-UHFFFAOYSA-N 2 1 283.419 3.011 20 30 CGEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018498 347528548 /nfs/dbraw/zinc/52/85/48/347528548.db2.gz FKGBLIZBFPWSSO-KRWDZBQOSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018498 347528552 /nfs/dbraw/zinc/52/85/52/347528552.db2.gz FKGBLIZBFPWSSO-KRWDZBQOSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018498 347528555 /nfs/dbraw/zinc/52/85/55/347528555.db2.gz FKGBLIZBFPWSSO-KRWDZBQOSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018498 347528560 /nfs/dbraw/zinc/52/85/60/347528560.db2.gz FKGBLIZBFPWSSO-KRWDZBQOSA-N 2 1 297.446 3.015 20 30 CGEDMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538012 /nfs/dbraw/zinc/53/80/12/347538012.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538016 /nfs/dbraw/zinc/53/80/16/347538016.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538019 /nfs/dbraw/zinc/53/80/19/347538019.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538392 /nfs/dbraw/zinc/53/83/92/347538392.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538393 /nfs/dbraw/zinc/53/83/93/347538393.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538395 /nfs/dbraw/zinc/53/83/95/347538395.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 2 1 297.446 3.014 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071994 347714301 /nfs/dbraw/zinc/71/43/01/347714301.db2.gz WBBZOIPBZCJGNO-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071997 347714617 /nfs/dbraw/zinc/71/46/17/347714617.db2.gz WBBZOIPBZCJGNO-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314638 347735181 /nfs/dbraw/zinc/73/51/81/347735181.db2.gz HIBSFLPEFZNWPD-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314638 347735182 /nfs/dbraw/zinc/73/51/82/347735182.db2.gz HIBSFLPEFZNWPD-UHFFFAOYSA-N 2 1 285.435 3.173 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccc(C#N)cc1 ZINC000603122835 348060637 /nfs/dbraw/zinc/06/06/37/348060637.db2.gz ZISLZYSQIWSFSZ-UHFFFAOYSA-N 2 1 299.462 3.299 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631216787 350993435 /nfs/dbraw/zinc/99/34/35/350993435.db2.gz APIRKEHYGCKPCT-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(C#N)c1 ZINC000423269259 372046271 /nfs/dbraw/zinc/04/62/71/372046271.db2.gz VVHJJVSCDXUHNF-CXAGYDPISA-N 2 1 271.408 3.116 20 30 CGEDMP C=CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159032960 372101267 /nfs/dbraw/zinc/10/12/67/372101267.db2.gz AAFIGHYOYUUSKK-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449215445 373673284 /nfs/dbraw/zinc/67/32/84/373673284.db2.gz YFEZYOHQCUFXRZ-WWDZGPRUSA-N 2 1 291.483 3.416 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560212 373832391 /nfs/dbraw/zinc/83/23/91/373832391.db2.gz HRHCHZCKAYFKBW-HNSVSWJLSA-N 2 1 250.430 3.336 20 30 CGEDMP C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449698575 373843824 /nfs/dbraw/zinc/84/38/24/373843824.db2.gz OCLQQZGOWGOGNW-PBHICJAKSA-N 2 1 299.418 3.158 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185221805 374613264 /nfs/dbraw/zinc/61/32/64/374613264.db2.gz GKWKTBRYTJMXIV-IAGOWNOFSA-N 2 1 294.483 3.209 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187700915 375076551 /nfs/dbraw/zinc/07/65/51/375076551.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187700915 375076556 /nfs/dbraw/zinc/07/65/56/375076556.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000187700915 375076563 /nfs/dbraw/zinc/07/65/63/375076563.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000187700915 375076566 /nfs/dbraw/zinc/07/65/66/375076566.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C=C(CC)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539106041 376294947 /nfs/dbraw/zinc/29/49/47/376294947.db2.gz XGHUGXLOJBSJJE-CALCHBBNSA-N 2 1 294.483 3.164 20 30 CGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000268921144 378152643 /nfs/dbraw/zinc/15/26/43/378152643.db2.gz QFCRIVHSPZOJRL-WMZOPIPTSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000268921144 378152651 /nfs/dbraw/zinc/15/26/51/378152651.db2.gz QFCRIVHSPZOJRL-WMZOPIPTSA-N 2 1 285.435 3.180 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Cl ZINC000346693038 378676658 /nfs/dbraw/zinc/67/66/58/378676658.db2.gz KMWHLPBSITVSDW-UHFFFAOYSA-N 2 1 296.842 3.322 20 30 CGEDMP C#CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000272949173 378729028 /nfs/dbraw/zinc/72/90/28/378729028.db2.gz NRSUZFDLDVFIAV-GOSISDBHSA-N 2 1 270.420 3.213 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398044436 379927480 /nfs/dbraw/zinc/92/74/80/379927480.db2.gz UYUYGZSZAXEMCI-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204563 380361767 /nfs/dbraw/zinc/36/17/67/380361767.db2.gz FPJLZPRTKJRDSC-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358326222 381303524 /nfs/dbraw/zinc/30/35/24/381303524.db2.gz ZMKYBUVKBCVUMD-ZMSDIMECSA-N 2 1 258.409 3.204 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358326222 381303531 /nfs/dbraw/zinc/30/35/31/381303531.db2.gz ZMKYBUVKBCVUMD-ZMSDIMECSA-N 2 1 258.409 3.204 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290579182 392450608 /nfs/dbraw/zinc/45/06/08/392450608.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290579182 392450615 /nfs/dbraw/zinc/45/06/15/392450615.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290579182 392450618 /nfs/dbraw/zinc/45/06/18/392450618.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290579182 392450625 /nfs/dbraw/zinc/45/06/25/392450625.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374418937 392677736 /nfs/dbraw/zinc/67/77/36/392677736.db2.gz FUHIYJNCYBDKSF-GVDBMIGSSA-N 2 1 282.472 3.140 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000520231558 392912515 /nfs/dbraw/zinc/91/25/15/392912515.db2.gz KRFRFBCLFASULD-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404581346 392967743 /nfs/dbraw/zinc/96/77/43/392967743.db2.gz GFMRDNDBMALZLH-XJKSGUPXSA-N 2 1 289.398 3.098 20 30 CGEDMP CCC(C)(C)[NH+](C)CC#CC[N@H+](C)C(C)(C)CC ZINC000671242295 543164156 /nfs/dbraw/zinc/16/41/56/543164156.db2.gz XQPAWQNRRMBHPM-UHFFFAOYSA-N 2 1 252.446 3.231 20 30 CGEDMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204921 /nfs/dbraw/zinc/20/49/21/165204921.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 2 1 285.435 3.255 20 30 CGEDMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204922 /nfs/dbraw/zinc/20/49/22/165204922.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 2 1 285.435 3.255 20 30 CGEDMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204923 /nfs/dbraw/zinc/20/49/23/165204923.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 2 1 285.435 3.255 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657351813 419257423 /nfs/dbraw/zinc/25/74/23/419257423.db2.gz AKNINIQEHVGTHF-UHFFFAOYSA-N 2 1 283.419 3.216 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657835867 419378456 /nfs/dbraw/zinc/37/84/56/419378456.db2.gz RNEYCSXAYSTWSD-BFYDXBDKSA-N 2 1 262.441 3.195 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000657841951 419382616 /nfs/dbraw/zinc/38/26/16/419382616.db2.gz RRJQDROTZYKUPF-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000106245868 260631158 /nfs/dbraw/zinc/63/11/58/260631158.db2.gz IDPXCKQKPDXYGR-UHFFFAOYSA-N 2 1 250.430 3.339 20 30 CGEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000491210334 261372344 /nfs/dbraw/zinc/37/23/44/261372344.db2.gz SKVGHTQFXGTDTK-UHFFFAOYSA-N 2 1 281.403 3.107 20 30 CGEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000491210334 261372345 /nfs/dbraw/zinc/37/23/45/261372345.db2.gz SKVGHTQFXGTDTK-UHFFFAOYSA-N 2 1 281.403 3.107 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088908 262007782 /nfs/dbraw/zinc/00/77/82/262007782.db2.gz DVBORSGEXKXQMJ-CADBVGFASA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@@H](CC#N)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088908 262007785 /nfs/dbraw/zinc/00/77/85/262007785.db2.gz DVBORSGEXKXQMJ-CADBVGFASA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348276562 278306107 /nfs/dbraw/zinc/30/61/07/278306107.db2.gz OTFSAGNPBAERDH-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348276562 278306108 /nfs/dbraw/zinc/30/61/08/278306108.db2.gz OTFSAGNPBAERDH-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348276562 278306109 /nfs/dbraw/zinc/30/61/09/278306109.db2.gz OTFSAGNPBAERDH-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348276562 278306110 /nfs/dbraw/zinc/30/61/10/278306110.db2.gz OTFSAGNPBAERDH-QAPCUYQASA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187699392 290245531 /nfs/dbraw/zinc/24/55/31/290245531.db2.gz UZZWGCOJGRMQGC-NVXWUHKLSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187699392 290245532 /nfs/dbraw/zinc/24/55/32/290245532.db2.gz UZZWGCOJGRMQGC-NVXWUHKLSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414683079 328213802 /nfs/dbraw/zinc/21/38/02/328213802.db2.gz SMNJKLVWMDEEPJ-KBPBESRZSA-N 2 1 264.438 3.124 20 30 CGEDMP C[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340432018 328276863 /nfs/dbraw/zinc/27/68/63/328276863.db2.gz LSBLBKWNMJDHHW-KRWDZBQOSA-N 2 1 271.408 3.105 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146228 330121657 /nfs/dbraw/zinc/12/16/57/330121657.db2.gz ZORLFDVCKZOYOH-VQIMIIECSA-N 2 1 296.458 3.411 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527656242 330273005 /nfs/dbraw/zinc/27/30/05/330273005.db2.gz FOCYOXHMSLPXPB-COXVUDFISA-N 2 1 262.441 3.051 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000527922798 330295955 /nfs/dbraw/zinc/29/59/55/330295955.db2.gz AXPMZZWHAAHRQB-DLBZAZTESA-N 2 1 296.499 3.315 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000424196081 330325065 /nfs/dbraw/zinc/32/50/65/330325065.db2.gz FNLADNZTVXTSAH-LULLPPNCSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000424196081 330325066 /nfs/dbraw/zinc/32/50/66/330325066.db2.gz FNLADNZTVXTSAH-LULLPPNCSA-N 2 1 297.446 3.321 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000424316238 330339396 /nfs/dbraw/zinc/33/93/96/330339396.db2.gz AWKMAGOGRLSUBO-HPBDAGMYSA-N 2 1 283.419 3.104 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000424316238 330339397 /nfs/dbraw/zinc/33/93/97/330339397.db2.gz AWKMAGOGRLSUBO-HPBDAGMYSA-N 2 1 283.419 3.104 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000120434852 330387931 /nfs/dbraw/zinc/38/79/31/330387931.db2.gz BZHIUFZFDYGUPX-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP CC#CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000462321782 331319504 /nfs/dbraw/zinc/31/95/04/331319504.db2.gz WNMPFVLAJSAACO-WOJBJXKFSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321782 331319505 /nfs/dbraw/zinc/31/95/05/331319505.db2.gz WNMPFVLAJSAACO-WOJBJXKFSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321782 331319506 /nfs/dbraw/zinc/31/95/06/331319506.db2.gz WNMPFVLAJSAACO-WOJBJXKFSA-N 2 1 296.458 3.386 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488436104 332008129 /nfs/dbraw/zinc/00/81/29/332008129.db2.gz WZUGKYRQERIIGA-JKSUJKDBSA-N 2 1 282.497 3.147 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000539202602 333661056 /nfs/dbraw/zinc/66/10/56/333661056.db2.gz QAMIXKPJBVQZAD-IRXDYDNUSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000248400912 334300279 /nfs/dbraw/zinc/30/02/79/334300279.db2.gz LNDBNEAVYYSLKK-HLLBOEOZSA-N 2 1 264.457 3.441 20 30 CGEDMP N#Cc1csc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992772 335352477 /nfs/dbraw/zinc/35/24/77/335352477.db2.gz RWBUCIABWITTBJ-UHFFFAOYSA-N 2 1 289.448 3.116 20 30 CGEDMP C=CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931395 527235931 /nfs/dbraw/zinc/23/59/31/527235931.db2.gz LSVPNURILPFCEE-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897970551 620450966 /nfs/dbraw/zinc/45/09/66/620450966.db2.gz SNDSLGMRCSDMSY-KURKYZTESA-N 2 1 296.499 3.314 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688212 620563659 /nfs/dbraw/zinc/56/36/59/620563659.db2.gz RQYDOSCGXULJON-CVEARBPZSA-N 2 1 279.472 3.416 20 30 CGEDMP N#CC1CCC(C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000903452029 621761586 /nfs/dbraw/zinc/76/15/86/621761586.db2.gz GNGCLZHBFGTUJE-UHFFFAOYSA-N 2 1 277.456 3.157 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903740335 621801115 /nfs/dbraw/zinc/80/11/15/621801115.db2.gz GRLVCVHYSPQKDT-XYPWUTKMSA-N 2 1 275.440 3.065 20 30 CGEDMP C[C@@H]1CC2(C[N@H+]1CCCCC1(C#N)CCC1)CC[NH2+]CC2 ZINC000903765401 621802982 /nfs/dbraw/zinc/80/29/82/621802982.db2.gz ZJLFFPJALSGDAI-MRXNPFEDSA-N 2 1 289.467 3.315 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000921688853 625839710 /nfs/dbraw/zinc/83/97/10/625839710.db2.gz IODBMOLOGRNJAE-KRWDZBQOSA-N 2 1 299.462 3.385 20 30 CGEDMP C=C1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000922711353 626037913 /nfs/dbraw/zinc/03/79/13/626037913.db2.gz JGXDVIROQYGPLW-UHFFFAOYSA-N 2 1 279.453 3.041 20 30 CGEDMP C#CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000781902292 628604210 /nfs/dbraw/zinc/60/42/10/628604210.db2.gz AHZDAVFLYUHALK-SFHVURJKSA-N 2 1 270.420 3.217 20 30 CGEDMP C#C[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684416 630779328 /nfs/dbraw/zinc/77/93/28/630779328.db2.gz BEYMDRCHAPJCQL-NEWSRXKRSA-N 2 1 284.447 3.144 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000815652077 631814444 /nfs/dbraw/zinc/81/44/44/631814444.db2.gz NUZAHOAEHBFUNE-KRWDZBQOSA-N 2 1 290.838 3.262 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000815652077 631814446 /nfs/dbraw/zinc/81/44/46/631814446.db2.gz NUZAHOAEHBFUNE-KRWDZBQOSA-N 2 1 290.838 3.262 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872032842 633951807 /nfs/dbraw/zinc/95/18/07/633951807.db2.gz AZVHPYCCDVSBMG-IRXDYDNUSA-N 2 1 294.483 3.210 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000834815869 634246972 /nfs/dbraw/zinc/24/69/72/634246972.db2.gz YVLYUJXONKOAIV-UKRRQHHQSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000834815869 634246974 /nfs/dbraw/zinc/24/69/74/634246974.db2.gz YVLYUJXONKOAIV-UKRRQHHQSA-N 2 1 276.449 3.231 20 30 CGEDMP CCCCCCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848534139 636593879 /nfs/dbraw/zinc/59/38/79/636593879.db2.gz XZFVVZBHEPPLBU-KRWDZBQOSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288810 639130885 /nfs/dbraw/zinc/13/08/85/639130885.db2.gz UMYNTPUPKVMYAZ-UHFFFAOYSA-N 2 1 282.472 3.144 20 30 CGEDMP CCCCCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288810 639130888 /nfs/dbraw/zinc/13/08/88/639130888.db2.gz UMYNTPUPKVMYAZ-UHFFFAOYSA-N 2 1 282.472 3.144 20 30 CGEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303985524 640853194 /nfs/dbraw/zinc/85/31/94/640853194.db2.gz SXYABFBLWNAIOW-AWEZNQCLSA-N 2 1 290.455 3.267 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252130698 806017588 /nfs/dbraw/zinc/01/75/88/806017588.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252130698 806017597 /nfs/dbraw/zinc/01/75/97/806017597.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252130698 806017605 /nfs/dbraw/zinc/01/76/05/806017605.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 2 1 296.499 3.126 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000328088615 799250718 /nfs/dbraw/zinc/25/07/18/799250718.db2.gz IFROJWPUKDHGTG-RBUKOAKNSA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000328088615 799250722 /nfs/dbraw/zinc/25/07/22/799250722.db2.gz IFROJWPUKDHGTG-RBUKOAKNSA-N 2 1 284.447 3.258 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000695837314 799835700 /nfs/dbraw/zinc/83/57/00/799835700.db2.gz QPKWLIVVJGUAKM-CABCVRRESA-N 2 1 265.445 3.169 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255951174 806795394 /nfs/dbraw/zinc/79/53/94/806795394.db2.gz HCFOSLNXMSTZHG-ZDUSSCGKSA-N 2 1 293.842 3.422 20 30 CGEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172477068 808342339 /nfs/dbraw/zinc/34/23/39/808342339.db2.gz UQGPTKYGNURDAZ-MRXNPFEDSA-N 2 1 285.435 3.323 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001246062582 804104204 /nfs/dbraw/zinc/10/42/04/804104204.db2.gz MNWMUXMMEHETFX-IAGOWNOFSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@@H](CC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246300393 804265995 /nfs/dbraw/zinc/26/59/95/804265995.db2.gz NOXBJQYFOPLMFV-HUUCEWRRSA-N 3 1 257.466 3.129 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676634 804491426 /nfs/dbraw/zinc/49/14/26/804491426.db2.gz CWLRREAZIOZCHN-ARFHVFGLSA-N 2 1 250.430 3.053 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770966 804503472 /nfs/dbraw/zinc/50/34/72/804503472.db2.gz UFFDAPICGYNZAO-RDJZCZTQSA-N 2 1 277.456 3.455 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770966 804503476 /nfs/dbraw/zinc/50/34/76/804503476.db2.gz UFFDAPICGYNZAO-RDJZCZTQSA-N 2 1 277.456 3.455 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246838419 804545851 /nfs/dbraw/zinc/54/58/51/804545851.db2.gz BUQYDPWYPLNBSJ-SJORKVTESA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246838419 804545855 /nfs/dbraw/zinc/54/58/55/804545855.db2.gz BUQYDPWYPLNBSJ-SJORKVTESA-N 2 1 258.409 3.205 20 30 CGEDMP N#CC1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001256968961 807018439 /nfs/dbraw/zinc/01/84/39/807018439.db2.gz UUYNWIBONRVLNF-ADKAHSJRSA-N 2 1 289.467 3.409 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001257011656 807026554 /nfs/dbraw/zinc/02/65/54/807026554.db2.gz WTQDZPXEMLSDJM-LXPRWKDFSA-N 2 1 283.419 3.008 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001167837437 807259393 /nfs/dbraw/zinc/25/93/93/807259393.db2.gz KDEYJQBYUVOYFJ-CVEARBPZSA-N 2 1 265.445 3.123 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258047078 807274551 /nfs/dbraw/zinc/27/45/51/807274551.db2.gz GSORDIYSBXTENL-FGTMMUONSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258047078 807274554 /nfs/dbraw/zinc/27/45/54/807274554.db2.gz GSORDIYSBXTENL-FGTMMUONSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258047078 807274559 /nfs/dbraw/zinc/27/45/59/807274559.db2.gz GSORDIYSBXTENL-FGTMMUONSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258047078 807274563 /nfs/dbraw/zinc/27/45/63/807274563.db2.gz GSORDIYSBXTENL-FGTMMUONSA-N 2 1 296.499 3.388 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001171189645 808004321 /nfs/dbraw/zinc/00/43/21/808004321.db2.gz IHSQPCQHOOFUMD-DQEVTTJGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001171189645 808004325 /nfs/dbraw/zinc/00/43/25/808004325.db2.gz IHSQPCQHOOFUMD-DQEVTTJGSA-N 2 1 297.446 3.094 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)(C)[NH3+])cc1 ZINC001171193901 808006447 /nfs/dbraw/zinc/00/64/47/808006447.db2.gz GIWOFOXINQXLLO-MRXNPFEDSA-N 2 1 273.424 3.159 20 30 CGEDMP C#CC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976109 808163877 /nfs/dbraw/zinc/16/38/77/808163877.db2.gz PLRNCWOHDBGASL-QGZVFWFLSA-N 2 1 282.431 3.185 20 30 CGEDMP C#CC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976109 808163878 /nfs/dbraw/zinc/16/38/78/808163878.db2.gz PLRNCWOHDBGASL-QGZVFWFLSA-N 2 1 282.431 3.185 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173326396 808613010 /nfs/dbraw/zinc/61/30/10/808613010.db2.gz YNKHCTAHNMTERB-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276857113 809038512 /nfs/dbraw/zinc/03/85/12/809038512.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276857113 809038520 /nfs/dbraw/zinc/03/85/20/809038520.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001276857113 809038528 /nfs/dbraw/zinc/03/85/28/809038528.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 2 1 297.446 3.175 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1 ZINC001199844165 811602436 /nfs/dbraw/zinc/60/24/36/811602436.db2.gz WKXRMLJHTAUIGQ-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001205735236 813063329 /nfs/dbraw/zinc/06/33/29/813063329.db2.gz LDTNSQCRLRBBJS-CABCVRRESA-N 2 1 284.394 3.205 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001205735236 813063337 /nfs/dbraw/zinc/06/33/37/813063337.db2.gz LDTNSQCRLRBBJS-CABCVRRESA-N 2 1 284.394 3.205 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001205803346 813082524 /nfs/dbraw/zinc/08/25/24/813082524.db2.gz GKACAWKWWQHQQQ-DJIMGWMZSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC001205803346 813082535 /nfs/dbraw/zinc/08/25/35/813082535.db2.gz GKACAWKWWQHQQQ-DJIMGWMZSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901261 813122503 /nfs/dbraw/zinc/12/25/03/813122503.db2.gz CCMKBPOWNCEUDQ-CVEARBPZSA-N 2 1 288.435 3.201 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206579999 813361355 /nfs/dbraw/zinc/36/13/55/813361355.db2.gz BREOUPCUXSWNDJ-GOSISDBHSA-N 2 1 285.435 3.072 20 30 CGEDMP N#CCC[N@@H+](Cc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001207438575 813565186 /nfs/dbraw/zinc/56/51/86/813565186.db2.gz ANTMFVBWKMMZDH-UHFFFAOYSA-N 2 1 291.826 3.055 20 30 CGEDMP N#CCC[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC001207438575 813565190 /nfs/dbraw/zinc/56/51/90/813565190.db2.gz ANTMFVBWKMMZDH-UHFFFAOYSA-N 2 1 291.826 3.055 20 30 CGEDMP CCCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234990026 818970284 /nfs/dbraw/zinc/97/02/84/818970284.db2.gz BUNYEOGSJZUNRA-INIZCTEOSA-N 2 1 252.446 3.422 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235161482 819019380 /nfs/dbraw/zinc/01/93/80/819019380.db2.gz RWUKZTPOEPALAC-IBGZPJMESA-N 2 1 282.431 3.022 20 30 CGEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1C#N ZINC001235159482 819019898 /nfs/dbraw/zinc/01/98/98/819019898.db2.gz XCXGWHGHUYPZLA-LJQANCHMSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235378796 819081627 /nfs/dbraw/zinc/08/16/27/819081627.db2.gz KRFIBDYPTIBQJA-MOPGFXCFSA-N 2 1 284.447 3.422 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842204 819183355 /nfs/dbraw/zinc/18/33/55/819183355.db2.gz MRJMACIPOQWIEG-SCOAYWHSSA-N 2 1 252.446 3.444 20 30 CGEDMP CCC[N@@H+](Cc1ccc(C#N)c(CC)c1)C1CC[NH2+]CC1 ZINC001236185044 819360409 /nfs/dbraw/zinc/36/04/09/819360409.db2.gz UGYWBQXGILBNPH-UHFFFAOYSA-N 2 1 285.435 3.085 20 30 CGEDMP C[C@H](CCCC#N)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486363 928222936 /nfs/dbraw/zinc/22/29/36/928222936.db2.gz DMGONCQUXAKBFO-IIAWOOMASA-N 2 1 263.429 3.193 20 30 CGEDMP C=CC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046099 937512996 /nfs/dbraw/zinc/51/29/96/937512996.db2.gz KJUPEIGHSAOXDJ-NXHRZFHOSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046099 937512998 /nfs/dbraw/zinc/51/29/98/937512998.db2.gz KJUPEIGHSAOXDJ-NXHRZFHOSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046099 937513001 /nfs/dbraw/zinc/51/30/01/937513001.db2.gz KJUPEIGHSAOXDJ-NXHRZFHOSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046099 937513002 /nfs/dbraw/zinc/51/30/02/937513002.db2.gz KJUPEIGHSAOXDJ-NXHRZFHOSA-N 2 1 270.420 3.015 20 30 CGEDMP CCCCCCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001307879625 933013168 /nfs/dbraw/zinc/01/31/68/933013168.db2.gz QKZCZRAYHDNQIS-QGZVFWFLSA-N 2 1 284.488 3.126 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462675280 937659255 /nfs/dbraw/zinc/65/92/55/937659255.db2.gz SILLBZNAGNCKMI-IVMQYODDSA-N 2 1 299.462 3.320 20 30 CGEDMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162847 /nfs/dbraw/zinc/16/28/47/187162847.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 2 1 285.435 3.425 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C1 ZINC000651692897 398270395 /nfs/dbraw/zinc/27/03/95/398270395.db2.gz WBKJEAVFRXJFRZ-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651721072 398275657 /nfs/dbraw/zinc/27/56/57/398275657.db2.gz RUKNOBUJMFSVGI-XDNAFOTISA-N 2 1 294.483 3.210 20 30 CGEDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000338014192 214360719 /nfs/dbraw/zinc/36/07/19/214360719.db2.gz RLFMVAVRARTPJV-KRWDZBQOSA-N 2 1 282.391 3.194 20 30 CGEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570850 346929017 /nfs/dbraw/zinc/92/90/17/346929017.db2.gz WKFHAGMKZDGOLG-CJNGLKHVSA-N 2 1 289.398 3.098 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655543 349856305 /nfs/dbraw/zinc/85/63/05/349856305.db2.gz ZECXCEPSDYOSFQ-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655543 349856308 /nfs/dbraw/zinc/85/63/08/349856308.db2.gz ZECXCEPSDYOSFQ-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCCCC#N)CC1 ZINC000069607420 345382489 /nfs/dbraw/zinc/38/24/89/345382489.db2.gz GVCFSAUTQSPOOB-UHFFFAOYSA-N 2 1 265.445 3.124 20 30 CGEDMP CC[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057320 347272461 /nfs/dbraw/zinc/27/24/61/347272461.db2.gz XBAVYUVINYHXAM-DLBZAZTESA-N 2 1 285.435 3.472 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095911 347383239 /nfs/dbraw/zinc/38/32/39/347383239.db2.gz RBLSBUDVSVCQQM-YJBOKZPZSA-N 2 1 297.446 3.331 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012194 347527742 /nfs/dbraw/zinc/52/77/42/347527742.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012194 347527745 /nfs/dbraw/zinc/52/77/45/347527745.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012194 347527748 /nfs/dbraw/zinc/52/77/48/347527748.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012194 347527750 /nfs/dbraw/zinc/52/77/50/347527750.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 2 1 297.446 3.156 20 30 CGEDMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N ZINC000599283991 347732032 /nfs/dbraw/zinc/73/20/32/347732032.db2.gz JVMHSAFSNDRANE-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602784000 348028522 /nfs/dbraw/zinc/02/85/22/348028522.db2.gz GHQUKZMUEFVBMP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602784000 348028524 /nfs/dbraw/zinc/02/85/24/348028524.db2.gz GHQUKZMUEFVBMP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602784000 348028526 /nfs/dbraw/zinc/02/85/26/348028526.db2.gz GHQUKZMUEFVBMP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602784000 348028528 /nfs/dbraw/zinc/02/85/28/348028528.db2.gz GHQUKZMUEFVBMP-SJORKVTESA-N 2 1 289.467 3.267 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602672677 348006056 /nfs/dbraw/zinc/00/60/56/348006056.db2.gz DVPRIIAQOSUGAS-HOTGVXAUSA-N 2 1 265.445 3.026 20 30 CGEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391065 348444237 /nfs/dbraw/zinc/44/42/37/348444237.db2.gz OZRPEIKSPPWVCO-SFHVURJKSA-N 2 1 294.402 3.121 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000617573245 348975247 /nfs/dbraw/zinc/97/52/47/348975247.db2.gz PUSBHPWCWQQQQN-GOSISDBHSA-N 2 1 299.462 3.404 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000619672609 349268980 /nfs/dbraw/zinc/26/89/80/349268980.db2.gz KRJQPYXKJBPURQ-QYZOEREBSA-N 2 1 297.446 3.180 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271542959 191203487 /nfs/dbraw/zinc/20/34/87/191203487.db2.gz UPRQZDLWWGZWQW-MJGOQNOKSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271542959 191203490 /nfs/dbraw/zinc/20/34/90/191203490.db2.gz UPRQZDLWWGZWQW-MJGOQNOKSA-N 2 1 284.447 3.290 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000153020197 188059595 /nfs/dbraw/zinc/05/95/95/188059595.db2.gz YYZMOTDJCRIDQQ-OAHLLOKOSA-N 2 1 250.430 3.361 20 30 CGEDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188603 235359252 /nfs/dbraw/zinc/35/92/52/235359252.db2.gz QMGOQRPCEUFHNG-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000178175974 189095619 /nfs/dbraw/zinc/09/56/19/189095619.db2.gz FQBFOWCGJNCJST-HNNXBMFYSA-N 2 1 285.435 3.329 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000276389569 193311408 /nfs/dbraw/zinc/31/14/08/193311408.db2.gz BIADKSLJTRDBBU-ZBFHGGJFSA-N 2 1 274.408 3.361 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389569 193311410 /nfs/dbraw/zinc/31/14/10/193311410.db2.gz BIADKSLJTRDBBU-ZBFHGGJFSA-N 2 1 274.408 3.361 20 30 CGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCC#N)C2)CC1 ZINC000069608397 369765331 /nfs/dbraw/zinc/76/53/31/369765331.db2.gz MYZXZKOORWQAGC-KRWDZBQOSA-N 2 1 277.456 3.124 20 30 CGEDMP N#CCC[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664780 370063320 /nfs/dbraw/zinc/06/33/20/370063320.db2.gz YSKCGWHQUKCFGC-RCCFBDPRSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664780 370063326 /nfs/dbraw/zinc/06/33/26/370063326.db2.gz YSKCGWHQUKCFGC-RCCFBDPRSA-N 2 1 283.419 3.248 20 30 CGEDMP C[N@@H+](CCCCC#N)[C@H]1CCC[NH+](CCCCC#N)CC1 ZINC000156992549 372002280 /nfs/dbraw/zinc/00/22/80/372002280.db2.gz ZYHNLODLSZXAIH-KRWDZBQOSA-N 2 1 290.455 3.160 20 30 CGEDMP C[NH+](CCCCC#N)[C@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000156992549 372002287 /nfs/dbraw/zinc/00/22/87/372002287.db2.gz ZYHNLODLSZXAIH-KRWDZBQOSA-N 2 1 290.455 3.160 20 30 CGEDMP C[NH+](CCCCC#N)[C@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000156992549 372002294 /nfs/dbraw/zinc/00/22/94/372002294.db2.gz ZYHNLODLSZXAIH-KRWDZBQOSA-N 2 1 290.455 3.160 20 30 CGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCCCC1)CC2 ZINC000423203296 372027118 /nfs/dbraw/zinc/02/71/18/372027118.db2.gz SJFJDNHOTUCHOA-QGZVFWFLSA-N 2 1 283.419 3.187 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423526 372567980 /nfs/dbraw/zinc/56/79/80/372567980.db2.gz KBQLHAFWQPVOJV-SJORKVTESA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423526 372567987 /nfs/dbraw/zinc/56/79/87/372567987.db2.gz KBQLHAFWQPVOJV-SJORKVTESA-N 2 1 282.472 3.212 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023411 372577753 /nfs/dbraw/zinc/57/77/53/372577753.db2.gz PRNXVXSLVZXYQU-ROUUACIJSA-N 2 1 285.435 3.495 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023410 372578927 /nfs/dbraw/zinc/57/89/27/372578927.db2.gz PRNXVXSLVZXYQU-QZTJIDSGSA-N 2 1 285.435 3.495 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194383989 375995200 /nfs/dbraw/zinc/99/52/00/375995200.db2.gz LEAAUXRYKOMUEG-INIZCTEOSA-N 2 1 272.436 3.420 20 30 CGEDMP CC[N@@H+](CCC1CC[NH+](CC2(C#N)CC2)CC1)CC(C)C ZINC000343567109 378022966 /nfs/dbraw/zinc/02/29/66/378022966.db2.gz WAJLVGAPVSSFIE-UHFFFAOYSA-N 2 1 291.483 3.370 20 30 CGEDMP C=CCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272463014 378642870 /nfs/dbraw/zinc/64/28/70/378642870.db2.gz KOOZFSBOACTWAB-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274748796 378887611 /nfs/dbraw/zinc/88/76/11/378887611.db2.gz AARMCNDRPTYXRD-GOSISDBHSA-N 2 1 272.436 3.407 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398044434 379926950 /nfs/dbraw/zinc/92/69/50/379926950.db2.gz UYUYGZSZAXEMCI-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446496 380035407 /nfs/dbraw/zinc/03/54/07/380035407.db2.gz RUYCTULZXLOSKC-CVEARBPZSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446496 380035417 /nfs/dbraw/zinc/03/54/17/380035417.db2.gz RUYCTULZXLOSKC-CVEARBPZSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446496 380035425 /nfs/dbraw/zinc/03/54/25/380035425.db2.gz RUYCTULZXLOSKC-CVEARBPZSA-N 2 1 279.472 3.369 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCN1C ZINC000411329967 380142650 /nfs/dbraw/zinc/14/26/50/380142650.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329967 380142657 /nfs/dbraw/zinc/14/26/57/380142657.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329967 380142664 /nfs/dbraw/zinc/14/26/64/380142664.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329967 380142669 /nfs/dbraw/zinc/14/26/69/380142669.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329967 380142672 /nfs/dbraw/zinc/14/26/72/380142672.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329967 380142680 /nfs/dbraw/zinc/14/26/80/380142680.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329967 380142684 /nfs/dbraw/zinc/14/26/84/380142684.db2.gz LIBWFDRCLXAXKZ-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420315962 380849003 /nfs/dbraw/zinc/84/90/03/380849003.db2.gz MAJHVJATBCLBSE-GFCCVEGCSA-N 2 1 284.856 3.389 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000191493114 130243998 /nfs/dbraw/zinc/24/39/98/130243998.db2.gz YSAORAXXYNIEGA-UHFFFAOYSA-N 2 1 296.418 3.229 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191493114 130244000 /nfs/dbraw/zinc/24/40/00/130244000.db2.gz YSAORAXXYNIEGA-UHFFFAOYSA-N 2 1 296.418 3.229 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453381893 542682472 /nfs/dbraw/zinc/68/24/72/542682472.db2.gz XYJLVJXQGZUWOK-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453381893 542682474 /nfs/dbraw/zinc/68/24/74/542682474.db2.gz XYJLVJXQGZUWOK-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290454610 392447861 /nfs/dbraw/zinc/44/78/61/392447861.db2.gz MPCXZWYANULVTH-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290454610 392447867 /nfs/dbraw/zinc/44/78/67/392447867.db2.gz MPCXZWYANULVTH-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1C#N ZINC000443988110 393780498 /nfs/dbraw/zinc/78/04/98/393780498.db2.gz KSPXBPRCFVMDBT-SFHVURJKSA-N 2 1 299.462 3.324 20 30 CGEDMP C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223077 287020852 /nfs/dbraw/zinc/02/08/52/287020852.db2.gz KCBXHELVSLEPES-HUUCEWRRSA-N 2 1 277.456 3.169 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020827452 171274305 /nfs/dbraw/zinc/27/43/05/171274305.db2.gz QKHPULCIWZPMHX-UHFFFAOYSA-N 2 1 293.414 3.170 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000685841142 544099677 /nfs/dbraw/zinc/09/96/77/544099677.db2.gz NCJIMICTKFDFGL-UHFFFAOYSA-N 2 1 296.817 3.262 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000657844216 419385537 /nfs/dbraw/zinc/38/55/37/419385537.db2.gz HNXVDJBCYLTRDC-ZACQAIPSSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000658035563 419514519 /nfs/dbraw/zinc/51/45/19/419514519.db2.gz OJDIAFFDICHMJG-BRWVUGGUSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000658239465 419696770 /nfs/dbraw/zinc/69/67/70/419696770.db2.gz VDJHBLTXAHLIBY-OWCLPIDISA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000037786275 260117908 /nfs/dbraw/zinc/11/79/08/260117908.db2.gz DEXUHMKEHXEJAK-CQSZACIVSA-N 2 1 285.435 3.472 20 30 CGEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305513 263107752 /nfs/dbraw/zinc/10/77/52/263107752.db2.gz LHXNYXWLZSEIHF-QZTJIDSGSA-N 2 1 288.435 3.004 20 30 CGEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305513 263107753 /nfs/dbraw/zinc/10/77/53/263107753.db2.gz LHXNYXWLZSEIHF-QZTJIDSGSA-N 2 1 288.435 3.004 20 30 CGEDMP C[NH+]1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000299379335 263240875 /nfs/dbraw/zinc/24/08/75/263240875.db2.gz GVGWJMNMLDYTAS-UHFFFAOYSA-N 2 1 297.446 3.074 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719916 290221336 /nfs/dbraw/zinc/22/13/36/290221336.db2.gz XLMRVEDIVRJCOO-SJLPKXTDSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719916 290221339 /nfs/dbraw/zinc/22/13/39/290221339.db2.gz XLMRVEDIVRJCOO-SJLPKXTDSA-N 2 1 297.446 3.427 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449165160 330902913 /nfs/dbraw/zinc/90/29/13/330902913.db2.gz UDHDFMRIJYWELV-UHFFFAOYSA-N 2 1 274.412 3.034 20 30 CGEDMP C=CC[NH+]1CCC(N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000177908204 333065556 /nfs/dbraw/zinc/06/55/56/333065556.db2.gz KUXHLBPBHJZMRO-OAHLLOKOSA-N 2 1 288.435 3.305 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381860820 336074686 /nfs/dbraw/zinc/07/46/86/336074686.db2.gz IXJLKGGRBKIEHJ-CEXWTWQISA-N 2 1 284.447 3.453 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151962167 618548381 /nfs/dbraw/zinc/54/83/81/618548381.db2.gz RBXVVVSXUMERNY-AWEZNQCLSA-N 2 1 296.842 3.420 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000925588240 619075886 /nfs/dbraw/zinc/07/58/86/619075886.db2.gz PAOJYZFQATVYAL-HOTGVXAUSA-N 2 1 279.472 3.272 20 30 CGEDMP CSc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1C#N ZINC000925773642 619235190 /nfs/dbraw/zinc/23/51/90/619235190.db2.gz NXIYEKJMNWKJQF-GJZGRUSLSA-N 2 1 289.448 3.030 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067691939 620374650 /nfs/dbraw/zinc/37/46/50/620374650.db2.gz AEXUVLSUPYAVFB-CALCHBBNSA-N 2 1 299.462 3.406 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753582 621425880 /nfs/dbraw/zinc/42/58/80/621425880.db2.gz QLICAXSXARVVTG-KSZLIROESA-N 2 1 283.419 3.226 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCC1 ZINC000903750029 621799980 /nfs/dbraw/zinc/79/99/80/621799980.db2.gz UBSMHYPZMPQISI-IAGOWNOFSA-N 2 1 289.467 3.172 20 30 CGEDMP N#CC1(CCCC[NH2+][C@H](C[NH3+])C2CCCCC2)CCC1 ZINC000903751094 621800181 /nfs/dbraw/zinc/80/01/81/621800181.db2.gz AEFXRXZQFPYZAF-MRXNPFEDSA-N 2 1 277.456 3.348 20 30 CGEDMP C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684418 630779421 /nfs/dbraw/zinc/77/94/21/630779421.db2.gz BEYMDRCHAPJCQL-UHOSZYNNSA-N 2 1 284.447 3.144 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000817957533 632252061 /nfs/dbraw/zinc/25/20/61/632252061.db2.gz CQGJNTNUVZWBNF-CZUORRHYSA-N 2 1 296.842 3.452 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000876763563 634895335 /nfs/dbraw/zinc/89/53/35/634895335.db2.gz KLVCAKFNBXFAOD-SJORKVTESA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000876763563 634895338 /nfs/dbraw/zinc/89/53/38/634895338.db2.gz KLVCAKFNBXFAOD-SJORKVTESA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000876763563 634895340 /nfs/dbraw/zinc/89/53/40/634895340.db2.gz KLVCAKFNBXFAOD-SJORKVTESA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877519806 635069014 /nfs/dbraw/zinc/06/90/14/635069014.db2.gz ZJLNBFOXNMXUJJ-SJPCQFCGSA-N 2 1 262.441 3.127 20 30 CGEDMP C#CCCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877519806 635069016 /nfs/dbraw/zinc/06/90/16/635069016.db2.gz ZJLNBFOXNMXUJJ-SJPCQFCGSA-N 2 1 262.441 3.127 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879951393 635887239 /nfs/dbraw/zinc/88/72/39/635887239.db2.gz MTVICEGCPCPDFL-OAHLLOKOSA-N 2 1 263.429 3.019 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222619 636163322 /nfs/dbraw/zinc/16/33/22/636163322.db2.gz KYNQKRKHESKSIA-GVDBMIGSSA-N 2 1 282.472 3.175 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000929689920 638941391 /nfs/dbraw/zinc/94/13/91/638941391.db2.gz JDJGRPKJTFOWEE-DAWZGUTISA-N 2 1 289.467 3.267 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950538 /nfs/dbraw/zinc/95/05/38/638950538.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950539 /nfs/dbraw/zinc/95/05/39/638950539.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950540 /nfs/dbraw/zinc/95/05/40/638950540.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 2 1 299.462 3.480 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001254660336 806478164 /nfs/dbraw/zinc/47/81/64/806478164.db2.gz XHEAWTWEWUCLIY-SJORKVTESA-N 2 1 287.451 3.019 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660336 806478170 /nfs/dbraw/zinc/47/81/70/806478170.db2.gz XHEAWTWEWUCLIY-SJORKVTESA-N 2 1 287.451 3.019 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000328053880 799249737 /nfs/dbraw/zinc/24/97/37/799249737.db2.gz ZVIPJMUATYPDEB-GOSISDBHSA-N 2 1 295.430 3.090 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000328053880 799249739 /nfs/dbraw/zinc/24/97/39/799249739.db2.gz ZVIPJMUATYPDEB-GOSISDBHSA-N 2 1 295.430 3.090 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386566538 799437677 /nfs/dbraw/zinc/43/76/77/799437677.db2.gz WNINDIIZGPTNIV-HOTGVXAUSA-N 2 1 252.446 3.421 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001255949189 806794231 /nfs/dbraw/zinc/79/42/31/806794231.db2.gz UVQANUXNRQQWSA-OAHLLOKOSA-N 2 1 285.435 3.257 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872103034 800536698 /nfs/dbraw/zinc/53/66/98/800536698.db2.gz WPALYJIBVKQUQC-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001172501865 808358115 /nfs/dbraw/zinc/35/81/15/808358115.db2.gz LMLOLFSGYVURIR-HOTGVXAUSA-N 2 1 270.461 3.175 20 30 CGEDMP C=CCc1cccc(C[N@@H+](CCC)CCC[NH+](C)C)c1O ZINC001138629899 803984890 /nfs/dbraw/zinc/98/48/90/803984890.db2.gz KEWXGLCXDAKLRG-UHFFFAOYSA-N 2 1 290.451 3.284 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001246022148 804100424 /nfs/dbraw/zinc/10/04/24/804100424.db2.gz MKOLFZTUKZKQMC-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001246026318 804100871 /nfs/dbraw/zinc/10/08/71/804100871.db2.gz MIKDTRZBNMQAGS-LXPRWKDFSA-N 2 1 296.499 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001246026318 804100874 /nfs/dbraw/zinc/10/08/74/804100874.db2.gz MIKDTRZBNMQAGS-LXPRWKDFSA-N 2 1 296.499 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246019019 804100946 /nfs/dbraw/zinc/10/09/46/804100946.db2.gz HEFXJZBPMXHLKX-IXDOHACOSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246019019 804100950 /nfs/dbraw/zinc/10/09/50/804100950.db2.gz HEFXJZBPMXHLKX-IXDOHACOSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133937 804158731 /nfs/dbraw/zinc/15/87/31/804158731.db2.gz KUDREMPUWZLDFW-JYJNAYRXSA-N 2 1 252.446 3.467 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246541343 804392012 /nfs/dbraw/zinc/39/20/12/804392012.db2.gz GSJXXMUKFGRUEJ-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246556191 804406022 /nfs/dbraw/zinc/40/60/22/804406022.db2.gz BLHJNDFYTZXOIW-BRWVUGGUSA-N 2 1 284.488 3.156 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631256 804462215 /nfs/dbraw/zinc/46/22/15/804462215.db2.gz CARIVEUYOLGCFG-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631256 804462219 /nfs/dbraw/zinc/46/22/19/804462219.db2.gz CARIVEUYOLGCFG-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246840790 804549582 /nfs/dbraw/zinc/54/95/82/804549582.db2.gz PYYNLQVCSCNPBT-QGZVFWFLSA-N 2 1 270.420 3.349 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+](C)C3(C)CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246905253 804590287 /nfs/dbraw/zinc/59/02/87/804590287.db2.gz BHUXHBOFVJJDTR-XYPWUTKMSA-N 2 1 262.441 3.195 20 30 CGEDMP CC(C)[N@H+](C1CCC(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256960395 807017248 /nfs/dbraw/zinc/01/72/48/807017248.db2.gz WWHRMOGJPVUCQI-DHAXNPMCSA-N 2 1 263.429 3.049 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3CCC([NH+]4CCC4)CC3)C[C@H](C1)C2 ZINC001257893874 807244440 /nfs/dbraw/zinc/24/44/40/807244440.db2.gz BOSJVQOXEWKAPM-BYICEURKSA-N 2 1 274.452 3.291 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033497 807300905 /nfs/dbraw/zinc/30/09/05/807300905.db2.gz LNLWQKYRZQYKAL-IDHLJQCASA-N 2 1 297.446 3.320 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258228448 807377882 /nfs/dbraw/zinc/37/78/82/807377882.db2.gz HLDAWPPGMHIZTC-KRWDZBQOSA-N 2 1 286.504 3.419 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258729017 807575898 /nfs/dbraw/zinc/57/58/98/807575898.db2.gz SBGZZVJAFRVRBW-OAGGEKHMSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258729017 807575902 /nfs/dbraw/zinc/57/59/02/807575902.db2.gz SBGZZVJAFRVRBW-OAGGEKHMSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258729017 807575906 /nfs/dbraw/zinc/57/59/06/807575906.db2.gz SBGZZVJAFRVRBW-OAGGEKHMSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258729017 807575910 /nfs/dbraw/zinc/57/59/10/807575910.db2.gz SBGZZVJAFRVRBW-OAGGEKHMSA-N 2 1 290.476 3.466 20 30 CGEDMP C#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984686 808164901 /nfs/dbraw/zinc/16/49/01/808164901.db2.gz XOMQEVQGCYMCMJ-QGZVFWFLSA-N 2 1 270.420 3.043 20 30 CGEDMP CC1(C)C[C@H]([NH2+]CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171984935 808164971 /nfs/dbraw/zinc/16/49/71/808164971.db2.gz YXQYHRUVBJOQSL-QGZVFWFLSA-N 2 1 285.435 3.323 20 30 CGEDMP C#CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074660 808169789 /nfs/dbraw/zinc/16/97/89/808169789.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074660 808169793 /nfs/dbraw/zinc/16/97/93/808169793.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074660 808169797 /nfs/dbraw/zinc/16/97/97/808169797.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074660 808169799 /nfs/dbraw/zinc/16/97/99/808169799.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 2 1 282.431 3.137 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172295543 808218878 /nfs/dbraw/zinc/21/88/78/808218878.db2.gz SUOJGFYEQMUFLD-INIZCTEOSA-N 2 1 299.462 3.473 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001172349714 808246781 /nfs/dbraw/zinc/24/67/81/808246781.db2.gz FPMLMEIUPXARPA-QZTJIDSGSA-N 2 1 295.515 3.138 20 30 CGEDMP N#CCCC[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277942883 809107426 /nfs/dbraw/zinc/10/74/26/809107426.db2.gz GKRJIVRTPSSKAB-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748304 812724976 /nfs/dbraw/zinc/72/49/76/812724976.db2.gz ISCIPOMHTWMMPG-MRXNPFEDSA-N 2 1 270.461 3.177 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205266955 812923739 /nfs/dbraw/zinc/92/37/39/812923739.db2.gz YUGWXITWVZZGJE-GOSISDBHSA-N 2 1 288.435 3.345 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205304023 812942598 /nfs/dbraw/zinc/94/25/98/812942598.db2.gz MXWQCBKLRLHYJT-WBVHZDCISA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCCCCCCCCC[N@H+](C)C[C@@H]1CNCCO1 ZINC001205376225 812974293 /nfs/dbraw/zinc/97/42/93/812974293.db2.gz DKCJJQFVPOSIQO-KRWDZBQOSA-N 2 1 282.472 3.213 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205651647 813042892 /nfs/dbraw/zinc/04/28/92/813042892.db2.gz HVVCGQMDINWCNO-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205760532 813069329 /nfs/dbraw/zinc/06/93/29/813069329.db2.gz BBESEEMADDHNFW-CQSZACIVSA-N 2 1 274.399 3.429 20 30 CGEDMP C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206304934 813281149 /nfs/dbraw/zinc/28/11/49/813281149.db2.gz RUVWNYQAZPIZRJ-GOSISDBHSA-N 2 1 288.435 3.072 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206615156 813376381 /nfs/dbraw/zinc/37/63/81/813376381.db2.gz DGWGIJMTJRONLP-INIZCTEOSA-N 2 1 288.435 3.202 20 30 CGEDMP C=CC[N@H+](CC(C)(C)C[NH+](C)C)C1CCCCC1 ZINC001207283957 813534292 /nfs/dbraw/zinc/53/42/92/813534292.db2.gz GEIOPWHMXBNGNX-UHFFFAOYSA-N 2 1 252.446 3.395 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208178827 813730698 /nfs/dbraw/zinc/73/06/98/813730698.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 2 1 274.452 3.317 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001208178827 813730700 /nfs/dbraw/zinc/73/07/00/813730700.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 2 1 274.452 3.317 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC001208178827 813730704 /nfs/dbraw/zinc/73/07/04/813730704.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 2 1 274.452 3.317 20 30 CGEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001209160789 813951772 /nfs/dbraw/zinc/95/17/72/813951772.db2.gz CCUUNVHCGNMYRG-GJZGRUSLSA-N 2 1 291.464 3.006 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160693 816366499 /nfs/dbraw/zinc/36/64/99/816366499.db2.gz HZEOWVOAHCYZOM-LJQANCHMSA-N 2 1 297.446 3.304 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222309711 816404759 /nfs/dbraw/zinc/40/47/59/816404759.db2.gz QHPISAUAQDUHHV-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624007 816481996 /nfs/dbraw/zinc/48/19/96/816481996.db2.gz SJFGGNPLLCVGAY-IYBDPMFKSA-N 2 1 250.430 3.054 20 30 CGEDMP CCCCCCCC[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235005730 818977079 /nfs/dbraw/zinc/97/70/79/818977079.db2.gz GQIDGIVFTUQLGT-KRWDZBQOSA-N 2 1 282.472 3.049 20 30 CGEDMP C=CCCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235174534 819024444 /nfs/dbraw/zinc/02/44/44/819024444.db2.gz UCRXYTLDGZOZDC-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCC[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191978 819032019 /nfs/dbraw/zinc/03/20/19/819032019.db2.gz ZYDWGGPFORIWIR-UHFFFAOYSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCC[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235191978 819032021 /nfs/dbraw/zinc/03/20/21/819032021.db2.gz ZYDWGGPFORIWIR-UHFFFAOYSA-N 2 1 250.430 3.341 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404123 819085388 /nfs/dbraw/zinc/08/53/88/819085388.db2.gz MNYTZSHKNHBAGQ-HZPDHXFCSA-N 2 1 270.436 3.370 20 30 CGEDMP C#CC[N@H+](CC[C@H]1CCCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235833537 819179038 /nfs/dbraw/zinc/17/90/38/819179038.db2.gz GOQCJFHBCDXFBC-IEBWSBKVSA-N 2 1 282.431 3.141 20 30 CGEDMP C#CC[N@@H+](CC[C@H]1CCCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235833537 819179041 /nfs/dbraw/zinc/17/90/41/819179041.db2.gz GOQCJFHBCDXFBC-IEBWSBKVSA-N 2 1 282.431 3.141 20 30 CGEDMP C#CC[N@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCc2ccccc21 ZINC001235833363 819179270 /nfs/dbraw/zinc/17/92/70/819179270.db2.gz DLLNBKCRFPAIKX-HXUWFJFHSA-N 2 1 290.410 3.268 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)C2CCC([NH2+]C)CC2)cc1 ZINC001236213316 819375715 /nfs/dbraw/zinc/37/57/15/819375715.db2.gz ODUPZEGVBANMPH-UHFFFAOYSA-N 2 1 288.435 3.214 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409096 819456298 /nfs/dbraw/zinc/45/62/98/819456298.db2.gz RQUILFSDVROYAA-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409096 819456302 /nfs/dbraw/zinc/45/63/02/819456302.db2.gz RQUILFSDVROYAA-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434749 819478144 /nfs/dbraw/zinc/47/81/44/819478144.db2.gz WMJSZXQFOYFJMX-DZGCQCFKSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434749 819478147 /nfs/dbraw/zinc/47/81/47/819478147.db2.gz WMJSZXQFOYFJMX-DZGCQCFKSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001461491751 937583032 /nfs/dbraw/zinc/58/30/32/937583032.db2.gz BAYWIWLISIBBIK-PMPSAXMXSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001461491751 937583034 /nfs/dbraw/zinc/58/30/34/937583034.db2.gz BAYWIWLISIBBIK-PMPSAXMXSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505015 936265577 /nfs/dbraw/zinc/26/55/77/936265577.db2.gz YPNFHEJTSUYZPI-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505015 936265582 /nfs/dbraw/zinc/26/55/82/936265582.db2.gz YPNFHEJTSUYZPI-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001473981610 937833589 /nfs/dbraw/zinc/83/35/89/937833589.db2.gz LUVGXQWZPAZYIP-UHFFFAOYSA-N 2 1 299.462 3.027 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CCC)CC1 ZINC001258775235 960428147 /nfs/dbraw/zinc/42/81/47/960428147.db2.gz GIHFMZFLYWSGJG-HXUWFJFHSA-N 2 1 296.458 3.484 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CCC)CC1 ZINC001258775235 960428154 /nfs/dbraw/zinc/42/81/54/960428154.db2.gz GIHFMZFLYWSGJG-HXUWFJFHSA-N 2 1 296.458 3.484 20 30 CGEDMP N#CC1(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC001580039037 962688779 /nfs/dbraw/zinc/68/87/79/962688779.db2.gz YITQRQLWILBMPC-IAGOWNOFSA-N 2 1 289.467 3.315 20 30 CGEDMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162387 /nfs/dbraw/zinc/16/23/87/187162387.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000651828224 398294716 /nfs/dbraw/zinc/29/47/16/398294716.db2.gz ZGLOUGZQIBHSFJ-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000193355382 346269477 /nfs/dbraw/zinc/26/94/77/346269477.db2.gz OGRDRKFKCASHQV-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597114269 347536906 /nfs/dbraw/zinc/53/69/06/347536906.db2.gz DORFLEICXCGTLI-GOSISDBHSA-N 2 1 297.446 3.158 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000602503870 347971446 /nfs/dbraw/zinc/97/14/46/347971446.db2.gz NMIBPVZFVNJMNQ-INIZCTEOSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602647364 348000707 /nfs/dbraw/zinc/00/07/07/348000707.db2.gz HLFORUATYXJCRE-SJLPKXTDSA-N 2 1 285.435 3.038 20 30 CGEDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388197 348443875 /nfs/dbraw/zinc/44/38/75/348443875.db2.gz YKXFZASKKTVSAS-WMLDXEAASA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000618888389 349176337 /nfs/dbraw/zinc/17/63/37/349176337.db2.gz XHXDUJVUURFBNP-BZUAXINKSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000120817703 370802845 /nfs/dbraw/zinc/80/28/45/370802845.db2.gz LXDWVKLLJFGDMP-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000120817703 370802851 /nfs/dbraw/zinc/80/28/51/370802851.db2.gz LXDWVKLLJFGDMP-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000120817703 370802856 /nfs/dbraw/zinc/80/28/56/370802856.db2.gz LXDWVKLLJFGDMP-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000130562094 371042904 /nfs/dbraw/zinc/04/29/04/371042904.db2.gz LVXPQJCEBRQYFD-OWCLPIDISA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000133111166 371227614 /nfs/dbraw/zinc/22/76/14/371227614.db2.gz WFHOMUSIYWLINE-UHFFFAOYSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000133111166 371227616 /nfs/dbraw/zinc/22/76/16/371227616.db2.gz WFHOMUSIYWLINE-UHFFFAOYSA-N 2 1 258.409 3.159 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134897001 371371892 /nfs/dbraw/zinc/37/18/92/371371892.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134897001 371371898 /nfs/dbraw/zinc/37/18/98/371371898.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134897001 371371901 /nfs/dbraw/zinc/37/19/01/371371901.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134897001 371371904 /nfs/dbraw/zinc/37/19/04/371371904.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423016334 371916086 /nfs/dbraw/zinc/91/60/86/371916086.db2.gz MGAMSFZVWDSAKL-RBUKOAKNSA-N 2 1 291.398 3.195 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292884713 372238012 /nfs/dbraw/zinc/23/80/12/372238012.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292884713 372238013 /nfs/dbraw/zinc/23/80/13/372238013.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292884713 372238014 /nfs/dbraw/zinc/23/80/14/372238014.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292884713 372238015 /nfs/dbraw/zinc/23/80/15/372238015.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccco1 ZINC000293752776 372470478 /nfs/dbraw/zinc/47/04/78/372470478.db2.gz RLPZLECJEFDZBL-UONOGXRCSA-N 2 1 250.386 3.074 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432789344 372571435 /nfs/dbraw/zinc/57/14/35/372571435.db2.gz RJGZNMQOCJIZTH-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432789344 372571441 /nfs/dbraw/zinc/57/14/41/372571441.db2.gz RJGZNMQOCJIZTH-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C[NH+](CCCCC[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433309033 372588543 /nfs/dbraw/zinc/58/85/43/372588543.db2.gz WIKFNQSBCPMLJW-UHFFFAOYSA-N 2 1 292.471 3.120 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442722175 373070809 /nfs/dbraw/zinc/07/08/09/373070809.db2.gz UYIPXNPJSBMNLQ-CRAIPNDOSA-N 2 1 285.435 3.309 20 30 CGEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449521935 373820846 /nfs/dbraw/zinc/82/08/46/373820846.db2.gz UASGJOFUTYBGKR-VHSSKADRSA-N 2 1 297.402 3.175 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185385015 374653715 /nfs/dbraw/zinc/65/37/15/374653715.db2.gz MREKWMUVZBKNTF-ZDUSSCGKSA-N 2 1 292.398 3.222 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469860045 374993042 /nfs/dbraw/zinc/99/30/42/374993042.db2.gz DTQHEMIKBMJANC-JSGCOSHPSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000469860045 374993046 /nfs/dbraw/zinc/99/30/46/374993046.db2.gz DTQHEMIKBMJANC-JSGCOSHPSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471836043 375007958 /nfs/dbraw/zinc/00/79/58/375007958.db2.gz HPDJDFKFBAOEFD-ROUUACIJSA-N 2 1 272.436 3.235 20 30 CGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCCc3occc32)CC1 ZINC000190938065 375551122 /nfs/dbraw/zinc/55/11/22/375551122.db2.gz VJCKOBYCFOXKCA-INIZCTEOSA-N 2 1 274.408 3.287 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000245981163 376949409 /nfs/dbraw/zinc/94/94/09/376949409.db2.gz YIRSSFIAZGMGHQ-QLPKVWCKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246380918 377019815 /nfs/dbraw/zinc/01/98/15/377019815.db2.gz MSSZNOIEVXFTKW-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246380918 377019818 /nfs/dbraw/zinc/01/98/18/377019818.db2.gz MSSZNOIEVXFTKW-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246380918 377019825 /nfs/dbraw/zinc/01/98/25/377019825.db2.gz MSSZNOIEVXFTKW-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246380918 377019827 /nfs/dbraw/zinc/01/98/27/377019827.db2.gz MSSZNOIEVXFTKW-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246380918 377019832 /nfs/dbraw/zinc/01/98/32/377019832.db2.gz MSSZNOIEVXFTKW-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247562690 377223994 /nfs/dbraw/zinc/22/39/94/377223994.db2.gz QZIOHLYQDFGTMT-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247562690 377223998 /nfs/dbraw/zinc/22/39/98/377223998.db2.gz QZIOHLYQDFGTMT-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248921165 377429673 /nfs/dbraw/zinc/42/96/73/377429673.db2.gz WRHGDBDJPWCFNW-BRWVUGGUSA-N 2 1 277.456 3.026 20 30 CGEDMP Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1C#N ZINC000443983230 249137494 /nfs/dbraw/zinc/13/74/94/249137494.db2.gz DHDBONJWVHCKPG-UHFFFAOYSA-N 2 1 297.446 3.363 20 30 CGEDMP C=CC[C@H]1[N@H+](C[C@@H]2CCC[NH2+]C2)CCCC1(C)C ZINC000261875530 377862779 /nfs/dbraw/zinc/86/27/79/377862779.db2.gz VQIWYFJHGLWPRC-HUUCEWRRSA-N 2 1 250.430 3.053 20 30 CGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000267383674 378037864 /nfs/dbraw/zinc/03/78/64/378037864.db2.gz BCSGMYHTCRHUOO-UHFFFAOYSA-N 2 1 299.422 3.015 20 30 CGEDMP C=CCC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106664 378224820 /nfs/dbraw/zinc/22/48/20/378224820.db2.gz AYDDIIXCLWMPHE-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccco1 ZINC000580106664 378224826 /nfs/dbraw/zinc/22/48/26/378224826.db2.gz AYDDIIXCLWMPHE-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000580106664 378224832 /nfs/dbraw/zinc/22/48/32/378224832.db2.gz AYDDIIXCLWMPHE-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000580106664 378224838 /nfs/dbraw/zinc/22/48/38/378224838.db2.gz AYDDIIXCLWMPHE-HUUCEWRRSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346682645 378674210 /nfs/dbraw/zinc/67/42/10/378674210.db2.gz OHYXBPPQJGNMRP-KRWDZBQOSA-N 2 1 276.424 3.057 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348250539 378864791 /nfs/dbraw/zinc/86/47/91/378864791.db2.gz WWJLZIWQMCQJRI-WMZOPIPTSA-N 2 1 270.420 3.030 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274879997 378913159 /nfs/dbraw/zinc/91/31/59/378913159.db2.gz ZNMLZBMUCSYLGL-DOTOQJQBSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757902 379572809 /nfs/dbraw/zinc/57/28/09/379572809.db2.gz QCHMKJRKOGIYKA-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000420315965 380849486 /nfs/dbraw/zinc/84/94/86/380849486.db2.gz MAJHVJATBCLBSE-LBPRGKRZSA-N 2 1 284.856 3.389 20 30 CGEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839018 381631062 /nfs/dbraw/zinc/63/10/62/381631062.db2.gz WAFWRFIPPJZXFG-APWZRJJASA-N 2 1 297.446 3.257 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000285663521 392328699 /nfs/dbraw/zinc/32/86/99/392328699.db2.gz MYTNDXXKUWGMSS-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663521 392328703 /nfs/dbraw/zinc/32/87/03/392328703.db2.gz MYTNDXXKUWGMSS-CABCVRRESA-N 2 1 262.397 3.218 20 30 CGEDMP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443989853 393780388 /nfs/dbraw/zinc/78/03/88/393780388.db2.gz RZGBHYAPRHJGFE-MRXNPFEDSA-N 2 1 299.462 3.468 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999378 542834841 /nfs/dbraw/zinc/83/48/41/542834841.db2.gz AKHKGBBWCZPKGG-INIZCTEOSA-N 2 1 286.419 3.016 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000677477495 543450568 /nfs/dbraw/zinc/45/05/68/543450568.db2.gz IOIPKPKYXNLOJY-INIZCTEOSA-N 2 1 264.457 3.232 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401214 543708839 /nfs/dbraw/zinc/70/88/39/543708839.db2.gz JNMMSHYIRPCZDF-ARFHVFGLSA-N 2 1 262.441 3.031 20 30 CGEDMP C=CCC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682436309 543846319 /nfs/dbraw/zinc/84/63/19/543846319.db2.gz FMJPZXQFEAQRAM-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657354183 419258122 /nfs/dbraw/zinc/25/81/22/419258122.db2.gz ZIWPPATZALERKM-UHFFFAOYSA-N 2 1 283.419 3.216 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657531418 419299298 /nfs/dbraw/zinc/29/92/98/419299298.db2.gz YRFAFGTXAWMFGY-NCOADZHNSA-N 2 1 262.441 3.338 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000657889524 419411278 /nfs/dbraw/zinc/41/12/78/419411278.db2.gz MSGQTJWTQQOGAL-FPCVCCKLSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000657889524 419411289 /nfs/dbraw/zinc/41/12/89/419411289.db2.gz MSGQTJWTQQOGAL-FPCVCCKLSA-N 2 1 250.430 3.194 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361435823 261270873 /nfs/dbraw/zinc/27/08/73/261270873.db2.gz OGWHVVRJGAUOQS-IXDOHACOSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361435823 261270876 /nfs/dbraw/zinc/27/08/76/261270876.db2.gz OGWHVVRJGAUOQS-IXDOHACOSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317154 263110307 /nfs/dbraw/zinc/11/03/07/263110307.db2.gz UEXGSNVYWKHDNE-ROUUACIJSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317154 263110308 /nfs/dbraw/zinc/11/03/08/263110308.db2.gz UEXGSNVYWKHDNE-ROUUACIJSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000120987393 263290314 /nfs/dbraw/zinc/29/03/14/263290314.db2.gz NUOQUFYKDRLJKY-BBRMVZONSA-N 2 1 261.413 3.162 20 30 CGEDMP C=CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377196201 268054716 /nfs/dbraw/zinc/05/47/16/268054716.db2.gz HOSAKQRKFQTKMJ-UHFFFAOYSA-N 2 1 270.420 3.161 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276361006 328218154 /nfs/dbraw/zinc/21/81/54/328218154.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276361006 328218155 /nfs/dbraw/zinc/21/81/55/328218155.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276361006 328218156 /nfs/dbraw/zinc/21/81/56/328218156.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 2 1 285.435 3.133 20 30 CGEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449521936 330933718 /nfs/dbraw/zinc/93/37/18/330933718.db2.gz UASGJOFUTYBGKR-XWIAVFTESA-N 2 1 297.402 3.175 20 30 CGEDMP CC#CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462316351 331319357 /nfs/dbraw/zinc/31/93/57/331319357.db2.gz AKFHVTLSEVCNPK-QGZVFWFLSA-N 2 1 276.468 3.376 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000551241897 334242608 /nfs/dbraw/zinc/24/26/08/334242608.db2.gz XHMLNSCQRYAPHM-DLBZAZTESA-N 2 1 296.499 3.315 20 30 CGEDMP C=CC[NH+](CCc1ccco1)CC[C@H]1CCCC[N@H+]1C ZINC000352699700 526326127 /nfs/dbraw/zinc/32/61/27/526326127.db2.gz CMDHUWJAPCUFPE-MRXNPFEDSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[NH+](CCc1ccco1)CC[C@H]1CCCC[N@@H+]1C ZINC000352699700 526326132 /nfs/dbraw/zinc/32/61/32/526326132.db2.gz CMDHUWJAPCUFPE-MRXNPFEDSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[N@@H+](CCc1ccco1)CC[C@H]1CCCC[NH+]1C ZINC000352699700 526326137 /nfs/dbraw/zinc/32/61/37/526326137.db2.gz CMDHUWJAPCUFPE-MRXNPFEDSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[N@H+](CCc1ccco1)CC[C@H]1CCCC[NH+]1C ZINC000352699700 526326141 /nfs/dbraw/zinc/32/61/41/526326141.db2.gz CMDHUWJAPCUFPE-MRXNPFEDSA-N 2 1 276.424 3.185 20 30 CGEDMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200303 618589818 /nfs/dbraw/zinc/58/98/18/618589818.db2.gz DLSQZPWGJZCUJP-OALUTQOASA-N 2 1 297.446 3.100 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790957 619250056 /nfs/dbraw/zinc/25/00/56/619250056.db2.gz JVEWJJLTXHVKSB-IAGOWNOFSA-N 2 1 294.483 3.260 20 30 CGEDMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000902363536 621290952 /nfs/dbraw/zinc/29/09/52/621290952.db2.gz WKGNILTWAAEIGO-IAGOWNOFSA-N 2 1 285.435 3.399 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CC[NH3+] ZINC000903768414 621803824 /nfs/dbraw/zinc/80/38/24/621803824.db2.gz MTELAROYOXWROM-HZPDHXFCSA-N 2 1 277.456 3.300 20 30 CGEDMP C#C[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839583686 626763270 /nfs/dbraw/zinc/76/32/70/626763270.db2.gz LTSRWJIJZWRKJA-INIZCTEOSA-N 2 1 270.420 3.126 20 30 CGEDMP C#CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1 ZINC000775401796 628091867 /nfs/dbraw/zinc/09/18/67/628091867.db2.gz ZKNCAIYGEOZBSG-GOSISDBHSA-N 2 1 281.403 3.326 20 30 CGEDMP C#CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000775421782 628093892 /nfs/dbraw/zinc/09/38/92/628093892.db2.gz JIQLQLOGHKLOIK-LJQANCHMSA-N 2 1 282.431 3.215 20 30 CGEDMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000798956523 630128237 /nfs/dbraw/zinc/12/82/37/630128237.db2.gz BSKXMRQFUALUMY-UHFFFAOYSA-N 2 1 297.446 3.175 20 30 CGEDMP C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799724538 630225213 /nfs/dbraw/zinc/22/52/13/630225213.db2.gz FAGDRNRNKGMAEV-GBESFXJTSA-N 2 1 297.446 3.180 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809602055 630758894 /nfs/dbraw/zinc/75/88/94/630758894.db2.gz PRJZCJNNMOMJNM-MRXNPFEDSA-N 2 1 270.420 3.022 20 30 CGEDMP C=CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000817895444 632230510 /nfs/dbraw/zinc/23/05/10/632230510.db2.gz XZTPFSOLQTYUGC-FGTMMUONSA-N 2 1 279.387 3.433 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000876757741 634894208 /nfs/dbraw/zinc/89/42/08/634894208.db2.gz FTNVLQRIVNCAAL-SJORKVTESA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000876757741 634894210 /nfs/dbraw/zinc/89/42/10/634894210.db2.gz FTNVLQRIVNCAAL-SJORKVTESA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000876757741 634894214 /nfs/dbraw/zinc/89/42/14/634894214.db2.gz FTNVLQRIVNCAAL-SJORKVTESA-N 2 1 264.457 3.375 20 30 CGEDMP CCCCCCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708089 637698319 /nfs/dbraw/zinc/69/83/19/637698319.db2.gz QHGWOMCOQIMKCN-SFHVURJKSA-N 2 1 296.499 3.268 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737296 638805212 /nfs/dbraw/zinc/80/52/12/638805212.db2.gz FAFPKXVULINHOL-GOEBONIOSA-N 2 1 277.456 3.026 20 30 CGEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCC1(C#N)CCC1 ZINC000930678712 639051552 /nfs/dbraw/zinc/05/15/52/639051552.db2.gz YPIDFVAYCOEUOM-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP SC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256609211 806924680 /nfs/dbraw/zinc/92/46/80/806924680.db2.gz KODQWBXZWXDUIM-UHFFFAOYSA-N 2 1 290.476 3.045 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256631474 806933159 /nfs/dbraw/zinc/93/31/59/806933159.db2.gz WKLJIAONPQTBFQ-SJPCQFCGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256631474 806933161 /nfs/dbraw/zinc/93/31/61/806933161.db2.gz WKLJIAONPQTBFQ-SJPCQFCGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[NH+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256631474 806933163 /nfs/dbraw/zinc/93/31/63/806933163.db2.gz WKLJIAONPQTBFQ-SJPCQFCGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256631474 806933166 /nfs/dbraw/zinc/93/31/66/806933166.db2.gz WKLJIAONPQTBFQ-SJPCQFCGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256631474 806933167 /nfs/dbraw/zinc/93/31/67/806933167.db2.gz WKLJIAONPQTBFQ-SJPCQFCGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246028248 804102562 /nfs/dbraw/zinc/10/25/62/804102562.db2.gz JBLCQGJTTNOCPW-SQNIBIBYSA-N 2 1 296.499 3.181 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246051060 804105204 /nfs/dbraw/zinc/10/52/04/804105204.db2.gz FAGNLKBDVMGBFM-GOSISDBHSA-N 2 1 296.499 3.195 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246086488 804120591 /nfs/dbraw/zinc/12/05/91/804120591.db2.gz CIYGNNWXWMGOQO-KRWDZBQOSA-N 2 1 283.504 3.010 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246213318 804210063 /nfs/dbraw/zinc/21/00/63/804210063.db2.gz QASMBYATFWMUCY-BBWFWOEESA-N 2 1 284.488 3.074 20 30 CGEDMP C=C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1)c1ccccc1 ZINC001246486823 804357177 /nfs/dbraw/zinc/35/71/77/804357177.db2.gz FMSKTMHIPOPQEV-BRWVUGGUSA-N 2 1 258.409 3.280 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@](C)([NH3+])CC3)C[C@H](C1)C2 ZINC001246547990 804397843 /nfs/dbraw/zinc/39/78/43/804397843.db2.gz DUHPEJYFMFXZDB-FCLJQHQZSA-N 2 1 262.441 3.325 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)C[C@H](C1)C2 ZINC001246563912 804414455 /nfs/dbraw/zinc/41/44/55/804414455.db2.gz DIVFPHJAGNASPP-ATICWTEVSA-N 2 1 276.468 3.428 20 30 CGEDMP C=CC[NH+](CC=C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246815260 804532295 /nfs/dbraw/zinc/53/22/95/804532295.db2.gz WUDJTRLEYINFSX-QZTJIDSGSA-N 2 1 270.420 3.024 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246838412 804545988 /nfs/dbraw/zinc/54/59/88/804545988.db2.gz BUQYDPWYPLNBSJ-DLBZAZTESA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246838412 804545994 /nfs/dbraw/zinc/54/59/94/804545994.db2.gz BUQYDPWYPLNBSJ-DLBZAZTESA-N 2 1 258.409 3.205 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3C[C@H]4C[N@@H+](CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894385 807244406 /nfs/dbraw/zinc/24/44/06/807244406.db2.gz RSWAUVKGVHBWCI-MKAJOQBOSA-N 2 1 288.479 3.395 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH+](CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894385 807244410 /nfs/dbraw/zinc/24/44/10/807244410.db2.gz RSWAUVKGVHBWCI-MKAJOQBOSA-N 2 1 288.479 3.395 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH+](CCC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894385 807244413 /nfs/dbraw/zinc/24/44/13/807244413.db2.gz RSWAUVKGVHBWCI-MKAJOQBOSA-N 2 1 288.479 3.395 20 30 CGEDMP N#CC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995373 807294500 /nfs/dbraw/zinc/29/45/00/807294500.db2.gz CSIPSCVIIRCOIH-QTXGHNMQSA-N 2 1 287.451 3.017 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258722109 807569829 /nfs/dbraw/zinc/56/98/29/807569829.db2.gz CIHGZXIVLCVLHV-HNNXBMFYSA-N 2 1 288.435 3.301 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001171189646 808004498 /nfs/dbraw/zinc/00/44/98/808004498.db2.gz IHSQPCQHOOFUMD-FZDIXFNVSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001171189646 808004503 /nfs/dbraw/zinc/00/45/03/808004503.db2.gz IHSQPCQHOOFUMD-FZDIXFNVSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001171194140 808007179 /nfs/dbraw/zinc/00/71/79/808007179.db2.gz GOOUWBVZDBSGAG-MAUKXSAKSA-N 2 1 297.446 3.096 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001171194140 808007183 /nfs/dbraw/zinc/00/71/83/808007183.db2.gz GOOUWBVZDBSGAG-MAUKXSAKSA-N 2 1 297.446 3.096 20 30 CGEDMP CC(C)C[N@@H+]([C@@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493505 808354068 /nfs/dbraw/zinc/35/40/68/808354068.db2.gz UGBNQDIUBQAJPX-JYJNAYRXSA-N 2 1 265.445 3.297 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501145 808355562 /nfs/dbraw/zinc/35/55/62/808355562.db2.gz AGUTYVQAYWGFMI-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501145 808355575 /nfs/dbraw/zinc/35/55/75/808355575.db2.gz AGUTYVQAYWGFMI-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCC[N@H+](CC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173113403 808513497 /nfs/dbraw/zinc/51/34/97/808513497.db2.gz PKJAWHSTRVSAOK-UHFFFAOYSA-N 2 1 265.445 3.265 20 30 CGEDMP CCCC[N@@H+](CC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173113403 808513501 /nfs/dbraw/zinc/51/35/01/808513501.db2.gz PKJAWHSTRVSAOK-UHFFFAOYSA-N 2 1 265.445 3.265 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](CCC)CCC[NH+](C)C)cc1 ZINC001204302897 812605373 /nfs/dbraw/zinc/60/53/73/812605373.db2.gz WPMLTUIQBWBRBI-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP [NH3+]C1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001204646154 812700674 /nfs/dbraw/zinc/70/06/74/812700674.db2.gz JBMWFRZBJKCZAK-UHFFFAOYSA-N 2 1 290.410 3.010 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001206325276 813290338 /nfs/dbraw/zinc/29/03/38/813290338.db2.gz HAOUDEOMRGJHBE-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001206563469 813355092 /nfs/dbraw/zinc/35/50/92/813355092.db2.gz DHIKQNYGGDWLSI-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001206563469 813355098 /nfs/dbraw/zinc/35/50/98/813355098.db2.gz DHIKQNYGGDWLSI-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C#CCCC[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001209267129 813989100 /nfs/dbraw/zinc/98/91/00/813989100.db2.gz AXZGGCARRJOJGI-UHFFFAOYSA-N 2 1 262.441 3.129 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1C#N ZINC001222320259 816408612 /nfs/dbraw/zinc/40/86/12/816408612.db2.gz FJHVDMSVSBUYNN-LJQANCHMSA-N 2 1 297.446 3.229 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234995218 818972316 /nfs/dbraw/zinc/97/23/16/818972316.db2.gz ZABJHZCDTSCQLQ-MRXNPFEDSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235842355 819183044 /nfs/dbraw/zinc/18/30/44/819183044.db2.gz OICQQPGRGTYZLN-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235930254 819227394 /nfs/dbraw/zinc/22/73/94/819227394.db2.gz VKJMXBYGWZOURX-CVEARBPZSA-N 2 1 250.430 3.054 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](C)(C[NH3+])C2)CC1 ZINC001237055162 819654784 /nfs/dbraw/zinc/65/47/84/819654784.db2.gz ALGUEYMMYOWCJR-IAGOWNOFSA-N 2 1 262.441 3.350 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057935 819657180 /nfs/dbraw/zinc/65/71/80/819657180.db2.gz ORKCMASHKYRARX-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001237057935 819657182 /nfs/dbraw/zinc/65/71/82/819657182.db2.gz ORKCMASHKYRARX-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383437 819738873 /nfs/dbraw/zinc/73/88/73/819738873.db2.gz PFRYTSGMCFLULE-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240470195 821078155 /nfs/dbraw/zinc/07/81/55/821078155.db2.gz DIRVOFGHTKAPNF-SFHVURJKSA-N 2 1 268.404 3.386 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172486610 928223464 /nfs/dbraw/zinc/22/34/64/928223464.db2.gz GLLDJNORRHYKIU-AWEZNQCLSA-N 2 1 289.398 3.158 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172486613 928223915 /nfs/dbraw/zinc/22/39/15/928223915.db2.gz GLLDJNORRHYKIU-CQSZACIVSA-N 2 1 289.398 3.158 20 30 CGEDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505014 936265723 /nfs/dbraw/zinc/26/57/23/936265723.db2.gz YPNFHEJTSUYZPI-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505014 936265726 /nfs/dbraw/zinc/26/57/26/936265726.db2.gz YPNFHEJTSUYZPI-HIFRSBDPSA-N 2 1 289.398 3.080 20 30 CGEDMP C=C(CC)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001473739411 937819993 /nfs/dbraw/zinc/81/99/93/937819993.db2.gz RPLAWSGQBJPVMW-UHFFFAOYSA-N 2 1 252.446 3.252 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001561052450 938291980 /nfs/dbraw/zinc/29/19/80/938291980.db2.gz BEJGMXBHCLVRHO-ZJIFWQFVSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000651830081 398295270 /nfs/dbraw/zinc/29/52/70/398295270.db2.gz ZQWHJMAHMRUQJQ-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000091587627 345818594 /nfs/dbraw/zinc/81/85/94/345818594.db2.gz LCENPBOACRUSPU-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C[N@@H+](CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594943173 347236751 /nfs/dbraw/zinc/23/67/51/347236751.db2.gz AHDNFLBPRMRHOF-UHFFFAOYSA-N 2 1 297.446 3.206 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097504 347383341 /nfs/dbraw/zinc/38/33/41/347383341.db2.gz YHCUQXDUACGOMI-YJBOKZPZSA-N 2 1 297.446 3.331 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097501 347383362 /nfs/dbraw/zinc/38/33/62/347383362.db2.gz YHCUQXDUACGOMI-CRAIPNDOSA-N 2 1 297.446 3.331 20 30 CGEDMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068608 347713763 /nfs/dbraw/zinc/71/37/63/347713763.db2.gz AEENWWPTIXENEO-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068608 347713766 /nfs/dbraw/zinc/71/37/66/347713766.db2.gz AEENWWPTIXENEO-DZGCQCFKSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000602509115 347972907 /nfs/dbraw/zinc/97/29/07/347972907.db2.gz GNNOFOSWSAIXTJ-KRWDZBQOSA-N 2 1 299.462 3.223 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624123057 349981287 /nfs/dbraw/zinc/98/12/87/349981287.db2.gz DXKDKDBATYFXNN-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000602967012 348047720 /nfs/dbraw/zinc/04/77/20/348047720.db2.gz ZXDBXSTVGJIFMQ-UHFFFAOYSA-N 2 1 285.435 3.059 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618801716 349156276 /nfs/dbraw/zinc/15/62/76/349156276.db2.gz BUONKSKWWRYQKX-SFHVURJKSA-N 2 1 283.419 3.008 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157266844 188307074 /nfs/dbraw/zinc/30/70/74/188307074.db2.gz WYBNBRVZENEZFD-GOSISDBHSA-N 2 1 283.419 3.009 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157266844 188307076 /nfs/dbraw/zinc/30/70/76/188307076.db2.gz WYBNBRVZENEZFD-GOSISDBHSA-N 2 1 283.419 3.009 20 30 CGEDMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196837 235361271 /nfs/dbraw/zinc/36/12/71/235361271.db2.gz VKYQMXJSYRCGBE-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100485 189346937 /nfs/dbraw/zinc/34/69/37/189346937.db2.gz SDNDBMDEEYEZDF-QAPCUYQASA-N 2 1 297.446 3.301 20 30 CGEDMP N#Cc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)c1 ZINC000275473854 193052637 /nfs/dbraw/zinc/05/26/37/193052637.db2.gz PJAGWBVUOWZAIH-UHFFFAOYSA-N 2 1 283.419 3.013 20 30 CGEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000072742747 369836466 /nfs/dbraw/zinc/83/64/66/369836466.db2.gz GXUKNCIFQQIXSR-UHFFFAOYSA-N 2 1 273.424 3.157 20 30 CGEDMP C=CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000133125962 371228650 /nfs/dbraw/zinc/22/86/50/371228650.db2.gz USIYLOHVRSISLO-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CC(C)C ZINC000442710484 373066852 /nfs/dbraw/zinc/06/68/52/373066852.db2.gz CQDMUWDDOBCJQO-XHSDSOJGSA-N 2 1 265.445 3.025 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442793834 373084614 /nfs/dbraw/zinc/08/46/14/373084614.db2.gz SDYPMTPWBAWCJC-PMPSAXMXSA-N 2 1 277.456 3.169 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442793834 373084622 /nfs/dbraw/zinc/08/46/22/373084622.db2.gz SDYPMTPWBAWCJC-PMPSAXMXSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCN1C ZINC000181574781 374142451 /nfs/dbraw/zinc/14/24/51/374142451.db2.gz JQMIHSWCZRFBMK-OIISXLGYSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000181574781 374142453 /nfs/dbraw/zinc/14/24/53/374142453.db2.gz JQMIHSWCZRFBMK-OIISXLGYSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574781 374142460 /nfs/dbraw/zinc/14/24/60/374142460.db2.gz JQMIHSWCZRFBMK-OIISXLGYSA-N 2 1 271.408 3.104 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185384427 374654511 /nfs/dbraw/zinc/65/45/11/374654511.db2.gz RYYBDYXLWDTLBV-OAHLLOKOSA-N 2 1 288.435 3.392 20 30 CGEDMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000335750574 375398400 /nfs/dbraw/zinc/39/84/00/375398400.db2.gz IGKAPSHHVGWRTN-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221582 375629910 /nfs/dbraw/zinc/62/99/10/375629910.db2.gz ZWWOMEZGABWLAD-OWLYRPNTSA-N 2 1 270.420 3.346 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000502985843 375647803 /nfs/dbraw/zinc/64/78/03/375647803.db2.gz GDXGKBQBCDWXGH-IEBWSBKVSA-N 2 1 284.447 3.420 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803019 375953260 /nfs/dbraw/zinc/95/32/60/375953260.db2.gz WVKWUNZJXIQJLR-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803019 375953269 /nfs/dbraw/zinc/95/32/69/375953269.db2.gz WVKWUNZJXIQJLR-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803019 375953275 /nfs/dbraw/zinc/95/32/75/375953275.db2.gz WVKWUNZJXIQJLR-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343595339 378032587 /nfs/dbraw/zinc/03/25/87/378032587.db2.gz ALWQCMSKTUBHCM-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343595339 378032591 /nfs/dbraw/zinc/03/25/91/378032591.db2.gz ALWQCMSKTUBHCM-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000582189242 378291449 /nfs/dbraw/zinc/29/14/49/378291449.db2.gz KFEHVJUWFSQFHT-HNNXBMFYSA-N 2 1 296.418 3.307 20 30 CGEDMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000582189242 378291454 /nfs/dbraw/zinc/29/14/54/378291454.db2.gz KFEHVJUWFSQFHT-HNNXBMFYSA-N 2 1 296.418 3.307 20 30 CGEDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271934284 378522109 /nfs/dbraw/zinc/52/21/09/378522109.db2.gz MOJVZYLQBHYFJX-CYBMUJFWSA-N 2 1 277.387 3.078 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271934284 378522115 /nfs/dbraw/zinc/52/21/15/378522115.db2.gz MOJVZYLQBHYFJX-CYBMUJFWSA-N 2 1 277.387 3.078 20 30 CGEDMP CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289467521 197362103 /nfs/dbraw/zinc/36/21/03/197362103.db2.gz PAWVXGSQXYMHEF-UHFFFAOYSA-N 2 1 297.402 3.235 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894585 379346339 /nfs/dbraw/zinc/34/63/39/379346339.db2.gz XMSIHABTZRSGJN-JFIYKMOQSA-N 2 1 289.467 3.455 20 30 CGEDMP C=CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266602811 190270806 /nfs/dbraw/zinc/27/08/06/190270806.db2.gz XMEHOINKYOTGSJ-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266602811 190270807 /nfs/dbraw/zinc/27/08/07/190270807.db2.gz XMEHOINKYOTGSJ-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266602811 190270808 /nfs/dbraw/zinc/27/08/08/190270808.db2.gz XMEHOINKYOTGSJ-KRWDZBQOSA-N 2 1 258.409 3.016 20 30 CGEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000421351585 380890223 /nfs/dbraw/zinc/89/02/23/380890223.db2.gz ZUPCPGZZOMELSV-AWEZNQCLSA-N 2 1 289.398 3.051 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344113 392693286 /nfs/dbraw/zinc/69/32/86/392693286.db2.gz JHXUEMYFAHPRSN-JQHSSLGASA-N 2 1 272.436 3.276 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000411661160 392984474 /nfs/dbraw/zinc/98/44/74/392984474.db2.gz BGUHDTAACGGGGX-CQSZACIVSA-N 2 1 286.423 3.091 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000353935632 393234943 /nfs/dbraw/zinc/23/49/43/393234943.db2.gz XOQDWQNTYDVFEZ-CRAIPNDOSA-N 2 1 288.435 3.071 20 30 CGEDMP Cc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1C#N ZINC000488442960 393514428 /nfs/dbraw/zinc/51/44/28/393514428.db2.gz VLCCRWNMMPZCJK-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C#N ZINC000488442960 393514435 /nfs/dbraw/zinc/51/44/35/393514435.db2.gz VLCCRWNMMPZCJK-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1C#N ZINC000488442960 393514441 /nfs/dbraw/zinc/51/44/41/393514441.db2.gz VLCCRWNMMPZCJK-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1C#N ZINC000488442960 393514447 /nfs/dbraw/zinc/51/44/47/393514447.db2.gz VLCCRWNMMPZCJK-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1C#N ZINC000488442960 393514454 /nfs/dbraw/zinc/51/44/54/393514454.db2.gz VLCCRWNMMPZCJK-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662299423 419387028 /nfs/dbraw/zinc/38/70/28/419387028.db2.gz PMKREQXWJMBQJX-INIZCTEOSA-N 2 1 250.430 3.054 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000521321920 260043802 /nfs/dbraw/zinc/04/38/02/260043802.db2.gz OLONJCQUAIKJFA-UHFFFAOYSA-N 2 1 284.447 3.032 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000087608518 260215451 /nfs/dbraw/zinc/21/54/51/260215451.db2.gz QHHCAKAUBPWMLF-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351435523 279252990 /nfs/dbraw/zinc/25/29/90/279252990.db2.gz YEKVJKWULHGKOP-ZACQAIPSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000351435523 279252981 /nfs/dbraw/zinc/25/29/81/279252981.db2.gz YEKVJKWULHGKOP-ZACQAIPSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000351435523 279252985 /nfs/dbraw/zinc/25/29/85/279252985.db2.gz YEKVJKWULHGKOP-ZACQAIPSSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000351435523 279252988 /nfs/dbraw/zinc/25/29/88/279252988.db2.gz YEKVJKWULHGKOP-ZACQAIPSSA-N 2 1 277.456 3.265 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000583006525 329301390 /nfs/dbraw/zinc/30/13/90/329301390.db2.gz RUOWBIKUBFZLBP-CQSZACIVSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCC1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000423152659 330173028 /nfs/dbraw/zinc/17/30/28/330173028.db2.gz GBXGFWZZOJZMAW-CYBMUJFWSA-N 2 1 259.397 3.281 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCCC1 ZINC000453385600 331126516 /nfs/dbraw/zinc/12/65/16/331126516.db2.gz UVBJISRDNHXCME-CABCVRRESA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459791723 331301178 /nfs/dbraw/zinc/30/11/78/331301178.db2.gz RQPAMEPHXNHQGY-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000186326321 333158787 /nfs/dbraw/zinc/15/87/87/333158787.db2.gz RDYNTRLWUIOTLP-CQSZACIVSA-N 2 1 250.430 3.195 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192931976 526999128 /nfs/dbraw/zinc/99/91/28/526999128.db2.gz JGANAAARESPBBJ-SFHVURJKSA-N 2 1 299.462 3.428 20 30 CGEDMP C#CCC1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000933264994 618178446 /nfs/dbraw/zinc/17/84/46/618178446.db2.gz NYPXDXMZOFODAO-UHFFFAOYSA-N 2 1 273.424 3.288 20 30 CGEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200304 618589909 /nfs/dbraw/zinc/58/99/09/618589909.db2.gz DLSQZPWGJZCUJP-RBUKOAKNSA-N 2 1 297.446 3.100 20 30 CGEDMP C=CC[C@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@@H]1CC=C ZINC000934462100 618625650 /nfs/dbraw/zinc/62/56/50/618625650.db2.gz VCIOJNZEWBXEPP-IRXDYDNUSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000892880752 618948008 /nfs/dbraw/zinc/94/80/08/618948008.db2.gz IIMKAQKOUXCVDY-UHFFFAOYSA-N 2 1 294.389 3.137 20 30 CGEDMP C[NH+]1C[C@@]2(C)C[NH+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316942 619143341 /nfs/dbraw/zinc/14/33/41/619143341.db2.gz LPQRSXREQKXEEY-IRXDYDNUSA-N 2 1 289.467 3.124 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000793544429 619731036 /nfs/dbraw/zinc/73/10/36/619731036.db2.gz YFBHPFOUBXNYIY-MRXNPFEDSA-N 2 1 282.472 3.212 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(C#N)cs1 ZINC000895684729 619872726 /nfs/dbraw/zinc/87/27/26/619872726.db2.gz FCFRTASTZLOTLX-UHFFFAOYSA-N 2 1 291.464 3.318 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924631078 620548693 /nfs/dbraw/zinc/54/86/93/620548693.db2.gz DPQCFHRVCRYFPP-HIFRSBDPSA-N 2 1 267.461 3.271 20 30 CGEDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000903014961 621518588 /nfs/dbraw/zinc/51/85/88/621518588.db2.gz BWICYPHWYYGPHT-SFHVURJKSA-N 2 1 285.435 3.473 20 30 CGEDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC000903011162 621532504 /nfs/dbraw/zinc/53/25/04/621532504.db2.gz WCDVXPBEFBMRJR-HQSKLWIPSA-N 2 1 283.419 3.224 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000903476214 621763867 /nfs/dbraw/zinc/76/38/67/621763867.db2.gz QKWXIANJEVNWNW-IBGZPJMESA-N 2 1 299.462 3.372 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000921499279 624945376 /nfs/dbraw/zinc/94/53/76/624945376.db2.gz VWVXAPRELINKQG-UHFFFAOYSA-N 2 1 285.435 3.138 20 30 CGEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000764431864 627207434 /nfs/dbraw/zinc/20/74/34/627207434.db2.gz HNHYJZNEXARTAF-MRXNPFEDSA-N 2 1 288.435 3.081 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000793544419 629480532 /nfs/dbraw/zinc/48/05/32/629480532.db2.gz YFBHPFOUBXNYIY-INIZCTEOSA-N 2 1 282.472 3.212 20 30 CGEDMP c1cnn([NH+]=C2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164622 629487874 /nfs/dbraw/zinc/48/78/74/629487874.db2.gz PYPNSFZXQZTKIE-IAGOWNOFSA-N 2 1 294.402 3.019 20 30 CGEDMP c1cnn([NH+]=C2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164623 629488077 /nfs/dbraw/zinc/48/80/77/629488077.db2.gz PYPNSFZXQZTKIE-IRXDYDNUSA-N 2 1 294.402 3.019 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000815651907 631814254 /nfs/dbraw/zinc/81/42/54/631814254.db2.gz IOCKIYYTILFGGQ-ROUUACIJSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000815651907 631814259 /nfs/dbraw/zinc/81/42/59/631814259.db2.gz IOCKIYYTILFGGQ-ROUUACIJSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806001 633791133 /nfs/dbraw/zinc/79/11/33/633791133.db2.gz YYPUFWRFIPVAEO-SBUVDCAVSA-N 2 1 298.474 3.013 20 30 CGEDMP C#CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000877067235 634969512 /nfs/dbraw/zinc/96/95/12/634969512.db2.gz DXBMQOLGZBODRU-ALOPSCKCSA-N 2 1 262.441 3.175 20 30 CGEDMP C#CCCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412544 635496473 /nfs/dbraw/zinc/49/64/73/635496473.db2.gz VUDROGUJQROQIM-DLBZAZTESA-N 2 1 276.468 3.423 20 30 CGEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000883182915 636569531 /nfs/dbraw/zinc/56/95/31/636569531.db2.gz NWLYBLNJZOFPHA-SFHVURJKSA-N 2 1 283.419 3.359 20 30 CGEDMP CCCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848537311 636594395 /nfs/dbraw/zinc/59/43/95/636594395.db2.gz DSYJCMOCFJZBGY-KRWDZBQOSA-N 2 1 282.472 3.190 20 30 CGEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303985525 640852892 /nfs/dbraw/zinc/85/28/92/640852892.db2.gz SXYABFBLWNAIOW-CQSZACIVSA-N 2 1 290.455 3.267 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001252134059 806019687 /nfs/dbraw/zinc/01/96/87/806019687.db2.gz UQWHTMFLFQYLTM-KRWDZBQOSA-N 2 1 286.504 3.372 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC001253248101 806195083 /nfs/dbraw/zinc/19/50/83/806195083.db2.gz QFNKUMMAWMGOKC-ZWKOTPCHSA-N 2 1 296.499 3.195 20 30 CGEDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254649151 806472978 /nfs/dbraw/zinc/47/29/78/806472978.db2.gz QGXIZLOLIAMPMB-VGWMRTNUSA-N 2 1 277.456 3.297 20 30 CGEDMP N#C[C@H]1CC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254658748 806477729 /nfs/dbraw/zinc/47/77/29/806477729.db2.gz XJCPMCACOIOWNB-XSLAGTTESA-N 2 1 289.467 3.441 20 30 CGEDMP C=CCc1cc(C)c[nH+]c1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162459680 806588394 /nfs/dbraw/zinc/58/83/94/806588394.db2.gz FRZFAAHUBFXLLW-HOCLYGCPSA-N 2 1 273.424 3.166 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406074 806634674 /nfs/dbraw/zinc/63/46/74/806634674.db2.gz OZIOWKPEONTLIV-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406074 806634677 /nfs/dbraw/zinc/63/46/77/806634677.db2.gz OZIOWKPEONTLIV-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406074 806634680 /nfs/dbraw/zinc/63/46/80/806634680.db2.gz OZIOWKPEONTLIV-UYAOXDASSA-N 2 1 296.458 3.386 20 30 CGEDMP C(#CC[N@H+]1CCCC12CCC2)C[NH+]1CCCC12CCC2 ZINC000342142341 799290114 /nfs/dbraw/zinc/29/01/14/799290114.db2.gz USQCNOLOKYAHOJ-UHFFFAOYSA-N 2 1 272.436 3.027 20 30 CGEDMP CCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380921213 799368867 /nfs/dbraw/zinc/36/88/67/799368867.db2.gz CZQQRVQZASBSHL-IYBDPMFKSA-N 2 1 252.446 3.278 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716065 800179452 /nfs/dbraw/zinc/17/94/52/800179452.db2.gz ZHCDCGBIPNOUDN-UBDQQSCGSA-N 2 1 270.420 3.204 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[N@@H+]1Cc1ccccc1 ZINC001256530427 806911204 /nfs/dbraw/zinc/91/12/04/806911204.db2.gz LLLFFOQCYCQKRM-ZBFHGGJFSA-N 2 1 292.492 3.338 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[N@H+]1Cc1ccccc1 ZINC001256530427 806911205 /nfs/dbraw/zinc/91/12/05/806911205.db2.gz LLLFFOQCYCQKRM-ZBFHGGJFSA-N 2 1 292.492 3.338 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001246024485 804100865 /nfs/dbraw/zinc/10/08/65/804100865.db2.gz VVFHGHRDCPHEFK-ULQDDVLXSA-N 2 1 284.488 3.015 20 30 CGEDMP C[C@@]1([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC001246189017 804198779 /nfs/dbraw/zinc/19/87/79/804198779.db2.gz LHDCFZFSYKSHAO-CTWPCTMYSA-N 2 1 297.446 3.316 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246283418 804257821 /nfs/dbraw/zinc/25/78/21/804257821.db2.gz BQTNKWLHIZIEDR-RDJZCZTQSA-N 2 1 276.399 3.483 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246307773 804271103 /nfs/dbraw/zinc/27/11/03/804271103.db2.gz NFPGKTMRCOVFDW-ULQDDVLXSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246467696 804345520 /nfs/dbraw/zinc/34/55/20/804345520.db2.gz VDCXAZNJICXTCM-OAGGEKHMSA-N 2 1 270.461 3.092 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596078 804437051 /nfs/dbraw/zinc/43/70/51/804437051.db2.gz YTVBSSLKCZWWPZ-ZNMIVQPWSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246596078 804437054 /nfs/dbraw/zinc/43/70/54/804437054.db2.gz YTVBSSLKCZWWPZ-ZNMIVQPWSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246625396 804457420 /nfs/dbraw/zinc/45/74/20/804457420.db2.gz RHPXPGBHWOFYRP-FGTMMUONSA-N 2 1 296.499 3.436 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642092 804469086 /nfs/dbraw/zinc/46/90/86/804469086.db2.gz LJVDEEDHXSHFPS-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770965 804502170 /nfs/dbraw/zinc/50/21/70/804502170.db2.gz UFFDAPICGYNZAO-NVXWUHKLSA-N 2 1 277.456 3.455 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCCCCC2)CC[NH2+]1 ZINC001246770965 804502172 /nfs/dbraw/zinc/50/21/72/804502172.db2.gz UFFDAPICGYNZAO-NVXWUHKLSA-N 2 1 277.456 3.455 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246842559 804549843 /nfs/dbraw/zinc/54/98/43/804549843.db2.gz ZAAGKFPSFNVBNM-GJZGRUSLSA-N 2 1 258.409 3.204 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246842559 804549845 /nfs/dbraw/zinc/54/98/45/804549845.db2.gz ZAAGKFPSFNVBNM-GJZGRUSLSA-N 2 1 258.409 3.204 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246847859 804557334 /nfs/dbraw/zinc/55/73/34/804557334.db2.gz SXEHVDLDTHNJLH-ARFHVFGLSA-N 2 1 252.446 3.277 20 30 CGEDMP C#CC(CC)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959474 807286154 /nfs/dbraw/zinc/28/61/54/807286154.db2.gz QGCXZWOAJLMSDJ-ALOPSCKCSA-N 2 1 274.452 3.173 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143125 807591033 /nfs/dbraw/zinc/59/10/33/807591033.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143125 807591037 /nfs/dbraw/zinc/59/10/37/807591037.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143125 807591040 /nfs/dbraw/zinc/59/10/40/807591040.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143125 807591044 /nfs/dbraw/zinc/59/10/44/807591044.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 2 1 294.442 3.234 20 30 CGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001258771286 807604969 /nfs/dbraw/zinc/60/49/69/807604969.db2.gz ZRTZAXUJUGNXMA-UHFFFAOYSA-N 2 1 291.826 3.176 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194274 808006656 /nfs/dbraw/zinc/00/66/56/808006656.db2.gz IUIPCHDPHGOIPP-QAPCUYQASA-N 2 1 299.462 3.342 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194274 808006665 /nfs/dbraw/zinc/00/66/65/808006665.db2.gz IUIPCHDPHGOIPP-QAPCUYQASA-N 2 1 299.462 3.342 20 30 CGEDMP C=CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063800 808169838 /nfs/dbraw/zinc/16/98/38/808169838.db2.gz DOGIWZSOPBWRFB-NNZMDNLPSA-N 2 1 270.420 3.348 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172292084 808217493 /nfs/dbraw/zinc/21/74/93/808217493.db2.gz CJDCGBQLSUOFJO-SJORKVTESA-N 2 1 299.462 3.343 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172479685 808343339 /nfs/dbraw/zinc/34/33/39/808343339.db2.gz JKCSQYDMWYAGOR-WMZOPIPTSA-N 2 1 285.435 3.180 20 30 CGEDMP N#CCCCC[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001277948374 809108297 /nfs/dbraw/zinc/10/82/97/809108297.db2.gz ICDOHIIMFFPHBU-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP C=CC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001176262676 809658439 /nfs/dbraw/zinc/65/84/39/809658439.db2.gz LYUMLPOAINDYIA-QRQLOZEOSA-N 2 1 284.447 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001176262676 809658442 /nfs/dbraw/zinc/65/84/42/809658442.db2.gz LYUMLPOAINDYIA-QRQLOZEOSA-N 2 1 284.447 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001176262676 809658443 /nfs/dbraw/zinc/65/84/43/809658443.db2.gz LYUMLPOAINDYIA-QRQLOZEOSA-N 2 1 284.447 3.405 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001178826910 809889533 /nfs/dbraw/zinc/88/95/33/809889533.db2.gz JWNBEVYIHVXZDB-UHFFFAOYSA-N 2 1 278.827 3.002 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001178826910 809889539 /nfs/dbraw/zinc/88/95/39/809889539.db2.gz JWNBEVYIHVXZDB-UHFFFAOYSA-N 2 1 278.827 3.002 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001202604506 812134133 /nfs/dbraw/zinc/13/41/33/812134133.db2.gz XYNXDUPMLUOFMS-INIZCTEOSA-N 2 1 264.457 3.138 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001202604506 812134137 /nfs/dbraw/zinc/13/41/37/812134137.db2.gz XYNXDUPMLUOFMS-INIZCTEOSA-N 2 1 264.457 3.138 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001203764247 812458269 /nfs/dbraw/zinc/45/82/69/812458269.db2.gz GXRCVRPWCFVLLX-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001203764247 812458273 /nfs/dbraw/zinc/45/82/73/812458273.db2.gz GXRCVRPWCFVLLX-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001203764247 812458274 /nfs/dbraw/zinc/45/82/74/812458274.db2.gz GXRCVRPWCFVLLX-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203764247 812458276 /nfs/dbraw/zinc/45/82/76/812458276.db2.gz GXRCVRPWCFVLLX-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001203764247 812458279 /nfs/dbraw/zinc/45/82/79/812458279.db2.gz GXRCVRPWCFVLLX-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602237 813018180 /nfs/dbraw/zinc/01/81/80/813018180.db2.gz HUWHXNBQFALXBY-HOTGVXAUSA-N 2 1 252.446 3.430 20 30 CGEDMP C=C(C)C[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001205640106 813038650 /nfs/dbraw/zinc/03/86/50/813038650.db2.gz WLNGCYYOYGBVBP-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206025430 813170202 /nfs/dbraw/zinc/17/02/02/813170202.db2.gz OAFRMBDFKYXELS-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001206318821 813287455 /nfs/dbraw/zinc/28/74/55/813287455.db2.gz UOPHRPCEXFDYGZ-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP CCc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1C#N ZINC001206574238 813358716 /nfs/dbraw/zinc/35/87/16/813358716.db2.gz RLAKSTDBTGKAAZ-SFHVURJKSA-N 2 1 285.435 3.072 20 30 CGEDMP N#C[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292773 813535654 /nfs/dbraw/zinc/53/56/54/813535654.db2.gz ZJOVHHCFOUPPNV-LJQANCHMSA-N 2 1 297.446 3.134 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001208178826 813728650 /nfs/dbraw/zinc/72/86/50/813728650.db2.gz XQPWXTFTJGOTJT-MRXNPFEDSA-N 2 1 271.408 3.044 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3[nH+]ccn3CC2)CC1 ZINC001208178826 813728656 /nfs/dbraw/zinc/72/86/56/813728656.db2.gz XQPWXTFTJGOTJT-MRXNPFEDSA-N 2 1 271.408 3.044 20 30 CGEDMP C=CCCCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001209436500 814036914 /nfs/dbraw/zinc/03/69/14/814036914.db2.gz SIKUMYBNFGNOMG-UHFFFAOYSA-N 2 1 252.446 3.397 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238091 816383109 /nfs/dbraw/zinc/38/31/09/816383109.db2.gz ZPFQALRYDRRMOG-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208990 819036401 /nfs/dbraw/zinc/03/64/01/819036401.db2.gz FQOQUQBTVXVKFB-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235208990 819036405 /nfs/dbraw/zinc/03/64/05/819036405.db2.gz FQOQUQBTVXVKFB-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235404121 819085936 /nfs/dbraw/zinc/08/59/36/819085936.db2.gz MNYTZSHKNHBAGQ-CVEARBPZSA-N 2 1 270.436 3.370 20 30 CGEDMP CCc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1C#N ZINC001236605436 819550083 /nfs/dbraw/zinc/55/00/83/819550083.db2.gz NNQPFDRJIPWVHN-INIZCTEOSA-N 2 1 297.446 3.085 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171204427 928199912 /nfs/dbraw/zinc/19/99/12/928199912.db2.gz XRYMRVIFGLNDRI-FCEWJHQRSA-N 2 1 299.462 3.198 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460624390 937536915 /nfs/dbraw/zinc/53/69/15/937536915.db2.gz BRHYQWGQVXIIGQ-INIZCTEOSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001461491745 937583231 /nfs/dbraw/zinc/58/32/31/937583231.db2.gz BAYWIWLISIBBIK-OAGGEKHMSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001461491745 937583233 /nfs/dbraw/zinc/58/32/33/937583233.db2.gz BAYWIWLISIBBIK-OAGGEKHMSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461676505 937591747 /nfs/dbraw/zinc/59/17/47/937591747.db2.gz POEMYRPEMXGUQN-AWEZNQCLSA-N 2 1 252.446 3.441 20 30 CGEDMP CCCCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978381 933029269 /nfs/dbraw/zinc/02/92/69/933029269.db2.gz OGJGXWCOFNUNDR-HOTGVXAUSA-N 2 1 252.446 3.230 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132796 937793608 /nfs/dbraw/zinc/79/36/08/937793608.db2.gz LPDWBQIQHNLAGR-MSOLQXFVSA-N 2 1 276.468 3.232 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132796 937793609 /nfs/dbraw/zinc/79/36/09/937793609.db2.gz LPDWBQIQHNLAGR-MSOLQXFVSA-N 2 1 276.468 3.232 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC001334869288 936119568 /nfs/dbraw/zinc/11/95/68/936119568.db2.gz WTVTXXVVOWENJZ-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000269407507 190491971 /nfs/dbraw/zinc/49/19/71/190491971.db2.gz IGJPCVKPGICECG-KRWDZBQOSA-N 2 1 269.392 3.489 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000651808196 398290809 /nfs/dbraw/zinc/29/08/09/398290809.db2.gz ISRILVZYJCZORV-OWCLPIDISA-N 2 1 250.430 3.051 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000596648718 347498041 /nfs/dbraw/zinc/49/80/41/347498041.db2.gz DXWVOKUYHCJORR-QGLXBCBXSA-N 2 1 297.446 3.194 20 30 CGEDMP Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000596983949 347524768 /nfs/dbraw/zinc/52/47/68/347524768.db2.gz KIQALTXEMCWKCU-UHFFFAOYSA-N 2 1 296.418 3.258 20 30 CGEDMP Cc1ncc(CN(Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000596983949 347524771 /nfs/dbraw/zinc/52/47/71/347524771.db2.gz KIQALTXEMCWKCU-UHFFFAOYSA-N 2 1 296.418 3.258 20 30 CGEDMP C[N@H+]1CC[C@@H](N[C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971241 347702494 /nfs/dbraw/zinc/70/24/94/347702494.db2.gz SQGGHBSOBJUFBN-SJORKVTESA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971241 347702495 /nfs/dbraw/zinc/70/24/95/347702495.db2.gz SQGGHBSOBJUFBN-SJORKVTESA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971241 347702497 /nfs/dbraw/zinc/70/24/97/347702497.db2.gz SQGGHBSOBJUFBN-SJORKVTESA-N 2 1 285.435 3.494 20 30 CGEDMP CC(C)[C@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000602511372 347972638 /nfs/dbraw/zinc/97/26/38/347972638.db2.gz QROFFQKCTJHVLN-SJORKVTESA-N 2 1 279.472 3.272 20 30 CGEDMP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000602646640 348000715 /nfs/dbraw/zinc/00/07/15/348000715.db2.gz RGHMNDMNWJUZGJ-LEOMRAHMSA-N 2 1 289.467 3.455 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602545037 347979024 /nfs/dbraw/zinc/97/90/24/347979024.db2.gz LPTQCVGVMRQLOD-HZPDHXFCSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602545037 347979027 /nfs/dbraw/zinc/97/90/27/347979027.db2.gz LPTQCVGVMRQLOD-HZPDHXFCSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877307 348040367 /nfs/dbraw/zinc/04/03/67/348040367.db2.gz FWGIJYYFZOMRJR-OAHLLOKOSA-N 2 1 283.419 3.037 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000613254687 348581394 /nfs/dbraw/zinc/58/13/94/348581394.db2.gz RAAIMIYNDMUOOQ-BRWVUGGUSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000613254687 348581398 /nfs/dbraw/zinc/58/13/98/348581398.db2.gz RAAIMIYNDMUOOQ-BRWVUGGUSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614169796 348654674 /nfs/dbraw/zinc/65/46/74/348654674.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169796 348654681 /nfs/dbraw/zinc/65/46/81/348654681.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169796 348654683 /nfs/dbraw/zinc/65/46/83/348654683.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000067691484 369725250 /nfs/dbraw/zinc/72/52/50/369725250.db2.gz IFPVEMBPYFBNMZ-INIZCTEOSA-N 2 1 285.435 3.302 20 30 CGEDMP C[N@@H+](CCCCC#N)[C@@H]1CCC[NH+](CCCCC#N)CC1 ZINC000156992396 372002831 /nfs/dbraw/zinc/00/28/31/372002831.db2.gz ZYHNLODLSZXAIH-QGZVFWFLSA-N 2 1 290.455 3.160 20 30 CGEDMP C[NH+](CCCCC#N)[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000156992396 372002843 /nfs/dbraw/zinc/00/28/43/372002843.db2.gz ZYHNLODLSZXAIH-QGZVFWFLSA-N 2 1 290.455 3.160 20 30 CGEDMP C[NH+](CCCCC#N)[C@@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000156992396 372002849 /nfs/dbraw/zinc/00/28/49/372002849.db2.gz ZYHNLODLSZXAIH-QGZVFWFLSA-N 2 1 290.455 3.160 20 30 CGEDMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(C#N)c1 ZINC000423197966 372020516 /nfs/dbraw/zinc/02/05/16/372020516.db2.gz CHLFDUVOSNIOHM-AWEZNQCLSA-N 2 1 271.408 3.261 20 30 CGEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423494782 372068386 /nfs/dbraw/zinc/06/83/86/372068386.db2.gz BAHLEVQONGFPRZ-RTBURBONSA-N 2 1 297.446 3.433 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442793831 373084068 /nfs/dbraw/zinc/08/40/68/373084068.db2.gz SDYPMTPWBAWCJC-OAGGEKHMSA-N 2 1 277.456 3.169 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442793831 373084073 /nfs/dbraw/zinc/08/40/73/373084073.db2.gz SDYPMTPWBAWCJC-OAGGEKHMSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442716407 373070699 /nfs/dbraw/zinc/07/06/99/373070699.db2.gz MPXHMLVPQQLNTN-TWMKSMIVSA-N 2 1 277.456 3.026 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2cccc(C)c2)CC1 ZINC000449124360 373663725 /nfs/dbraw/zinc/66/37/25/373663725.db2.gz PSVKHEXRGJYDOP-UHFFFAOYSA-N 2 1 272.436 3.168 20 30 CGEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449258972 373674973 /nfs/dbraw/zinc/67/49/73/373674973.db2.gz RRWSFEDVOHHXOI-KLAILNCOSA-N 2 1 277.456 3.313 20 30 CGEDMP N#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180135340 373968157 /nfs/dbraw/zinc/96/81/57/373968157.db2.gz WULGPUKEXMVQQY-YQQQUEKLSA-N 2 1 297.446 3.465 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187702159 375076634 /nfs/dbraw/zinc/07/66/34/375076634.db2.gz CSHZUQJDIFLQJQ-SJLPKXTDSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187702159 375076638 /nfs/dbraw/zinc/07/66/38/375076638.db2.gz CSHZUQJDIFLQJQ-SJLPKXTDSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248867790 377416695 /nfs/dbraw/zinc/41/66/95/377416695.db2.gz QHLOVRYTKBWRIU-DMRKSPOLSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248867790 377416697 /nfs/dbraw/zinc/41/66/97/377416697.db2.gz QHLOVRYTKBWRIU-DMRKSPOLSA-N 2 1 277.456 3.025 20 30 CGEDMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000582189243 378291111 /nfs/dbraw/zinc/29/11/11/378291111.db2.gz KFEHVJUWFSQFHT-OAHLLOKOSA-N 2 1 296.418 3.307 20 30 CGEDMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000582189243 378291118 /nfs/dbraw/zinc/29/11/18/378291118.db2.gz KFEHVJUWFSQFHT-OAHLLOKOSA-N 2 1 296.418 3.307 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272878642 378717433 /nfs/dbraw/zinc/71/74/33/378717433.db2.gz XIPHUXRREXOHDZ-JZXOWHBKSA-N 2 1 272.436 3.451 20 30 CGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC#N ZINC000282594523 379950286 /nfs/dbraw/zinc/95/02/86/379950286.db2.gz XHXUJBRKCJEVHR-KRWDZBQOSA-N 2 1 285.435 3.180 20 30 CGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC#N ZINC000282594523 379950293 /nfs/dbraw/zinc/95/02/93/379950293.db2.gz XHXUJBRKCJEVHR-KRWDZBQOSA-N 2 1 285.435 3.180 20 30 CGEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000268224657 190387479 /nfs/dbraw/zinc/38/74/79/190387479.db2.gz MZWCZLOESFUWRF-UHFFFAOYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000268224657 190387480 /nfs/dbraw/zinc/38/74/80/190387480.db2.gz MZWCZLOESFUWRF-UHFFFAOYSA-N 2 1 289.398 3.002 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092565259 392232866 /nfs/dbraw/zinc/23/28/66/392232866.db2.gz ARVJGKNMJFFCNS-JKSUJKDBSA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282032477 392275173 /nfs/dbraw/zinc/27/51/73/392275173.db2.gz KZXCSENAHVJFCA-OAHLLOKOSA-N 2 1 273.424 3.365 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836283 392338713 /nfs/dbraw/zinc/33/87/13/392338713.db2.gz DZLPJSBHDGFVRJ-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836283 392338718 /nfs/dbraw/zinc/33/87/18/392338718.db2.gz DZLPJSBHDGFVRJ-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836283 392338722 /nfs/dbraw/zinc/33/87/22/392338722.db2.gz DZLPJSBHDGFVRJ-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836283 392338726 /nfs/dbraw/zinc/33/87/26/392338726.db2.gz DZLPJSBHDGFVRJ-CZUORRHYSA-N 2 1 289.398 3.002 20 30 CGEDMP CCCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374418939 392678186 /nfs/dbraw/zinc/67/81/86/392678186.db2.gz FUHIYJNCYBDKSF-IXDOHACOSA-N 2 1 282.472 3.140 20 30 CGEDMP Cc1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)ccc1C#N ZINC000443986814 393779718 /nfs/dbraw/zinc/77/97/18/393779718.db2.gz WTTRQQDOIIYJQB-UHFFFAOYSA-N 2 1 287.451 3.465 20 30 CGEDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443995189 393781205 /nfs/dbraw/zinc/78/12/05/393781205.db2.gz VAYXLHIJJSDFOR-UHFFFAOYSA-N 2 1 285.435 3.221 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678420958 543523956 /nfs/dbraw/zinc/52/39/56/543523956.db2.gz GDEKDTBMTSOYFF-INIZCTEOSA-N 2 1 287.451 3.390 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000657889529 419412298 /nfs/dbraw/zinc/41/22/98/419412298.db2.gz MSGQTJWTQQOGAL-WCVJEAGWSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000657889529 419412303 /nfs/dbraw/zinc/41/23/03/419412303.db2.gz MSGQTJWTQQOGAL-WCVJEAGWSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000657992375 419481141 /nfs/dbraw/zinc/48/11/41/419481141.db2.gz ISVPMLILYMJNPY-KSZLIROESA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000657992375 419481150 /nfs/dbraw/zinc/48/11/50/419481150.db2.gz ISVPMLILYMJNPY-KSZLIROESA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663344309 419569809 /nfs/dbraw/zinc/56/98/09/419569809.db2.gz RENBEGQOTPATSM-KBAYOESNSA-N 2 1 276.468 3.443 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414691088 263032816 /nfs/dbraw/zinc/03/28/16/263032816.db2.gz NZSHZMWDQHFQHL-LSDHHAIUSA-N 2 1 276.399 3.202 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340298764 263106488 /nfs/dbraw/zinc/10/64/88/263106488.db2.gz OKWRTFGCTSKAAS-UAGQMJEPSA-N 2 1 258.409 3.376 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340298764 263106489 /nfs/dbraw/zinc/10/64/89/263106489.db2.gz OKWRTFGCTSKAAS-UAGQMJEPSA-N 2 1 258.409 3.376 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176948388 278342197 /nfs/dbraw/zinc/34/21/97/278342197.db2.gz BQYHAIWGDPYDIW-AWEZNQCLSA-N 2 1 291.464 3.221 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540004 288069848 /nfs/dbraw/zinc/06/98/48/288069848.db2.gz BPGAXYOSUJHJIM-XYPHTWIQSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540004 288069851 /nfs/dbraw/zinc/06/98/51/288069851.db2.gz BPGAXYOSUJHJIM-XYPHTWIQSA-N 2 1 271.408 3.082 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000558419135 327092852 /nfs/dbraw/zinc/09/28/52/327092852.db2.gz ORDOWSHPBFZFFX-HZPDHXFCSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912843 330160032 /nfs/dbraw/zinc/16/00/32/330160032.db2.gz WZWZJBSZRAIJSS-JKSUJKDBSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423341619 330192025 /nfs/dbraw/zinc/19/20/25/330192025.db2.gz MOCCRNFJAQLGQJ-ZBFHGGJFSA-N 2 1 262.397 3.266 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000424196080 330325080 /nfs/dbraw/zinc/32/50/80/330325080.db2.gz FNLADNZTVXTSAH-KANFNMMFSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000424196080 330325081 /nfs/dbraw/zinc/32/50/81/330325081.db2.gz FNLADNZTVXTSAH-KANFNMMFSA-N 2 1 297.446 3.321 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000453104533 331089580 /nfs/dbraw/zinc/08/95/80/331089580.db2.gz UQMDTQDIOKSLGB-QGZVFWFLSA-N 2 1 273.424 3.163 20 30 CGEDMP C#C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536276 332231876 /nfs/dbraw/zinc/23/18/76/332231876.db2.gz IXVIOBYWXAMIKH-RBUKOAKNSA-N 2 1 296.458 3.431 20 30 CGEDMP C#C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536276 332231877 /nfs/dbraw/zinc/23/18/77/332231877.db2.gz IXVIOBYWXAMIKH-RBUKOAKNSA-N 2 1 296.458 3.431 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000193328658 333248093 /nfs/dbraw/zinc/24/80/93/333248093.db2.gz JZBOYXBILSIJGY-MRXNPFEDSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193328658 333248094 /nfs/dbraw/zinc/24/80/94/333248094.db2.gz JZBOYXBILSIJGY-MRXNPFEDSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC000581445082 336079000 /nfs/dbraw/zinc/07/90/00/336079000.db2.gz JWLRVXJXAVVZHK-HOTGVXAUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC000581445082 336079002 /nfs/dbraw/zinc/07/90/02/336079002.db2.gz JWLRVXJXAVVZHK-HOTGVXAUSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205646 525363939 /nfs/dbraw/zinc/36/39/39/525363939.db2.gz LOZMUVUEGLFARY-WMLDXEAASA-N 2 1 271.408 3.083 20 30 CGEDMP C=CCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310909993 618875810 /nfs/dbraw/zinc/87/58/10/618875810.db2.gz GXUJZRMBQDBNAW-JKSUJKDBSA-N 2 1 250.430 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894229034 619432106 /nfs/dbraw/zinc/43/21/06/619432106.db2.gz LQGDMKBALQRYIF-UHFFFAOYSA-N 2 1 299.462 3.175 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000924688214 620563470 /nfs/dbraw/zinc/56/34/70/620563470.db2.gz RQYDOSCGXULJON-HZPDHXFCSA-N 2 1 279.472 3.416 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@]1(C)CCCCO1 ZINC000902783192 621439196 /nfs/dbraw/zinc/43/91/96/621439196.db2.gz ZYQSSDLRGGMITI-SJORKVTESA-N 2 1 291.439 3.075 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000903453675 621761200 /nfs/dbraw/zinc/76/12/00/621761200.db2.gz HZOHYAXXNAHFLH-HIEASXQVSA-N 2 1 289.467 3.028 20 30 CGEDMP C=CC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccncc1 ZINC000766022294 627287559 /nfs/dbraw/zinc/28/75/59/627287559.db2.gz QZQBTJOCKMVGBQ-QGZVFWFLSA-N 2 1 273.424 3.163 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000809738649 630795001 /nfs/dbraw/zinc/79/50/01/630795001.db2.gz DAAAXWGKJMAZJU-UHFFFAOYSA-N 2 1 293.414 3.252 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000809738649 630795008 /nfs/dbraw/zinc/79/50/08/630795008.db2.gz DAAAXWGKJMAZJU-UHFFFAOYSA-N 2 1 293.414 3.252 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000815652443 631814059 /nfs/dbraw/zinc/81/40/59/631814059.db2.gz CNGRILDVMMUZDJ-GOSISDBHSA-N 2 1 288.410 3.130 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000815652443 631814065 /nfs/dbraw/zinc/81/40/65/631814065.db2.gz CNGRILDVMMUZDJ-GOSISDBHSA-N 2 1 288.410 3.130 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000815652138 631814331 /nfs/dbraw/zinc/81/43/31/631814331.db2.gz QPWWTYPYBRJOMI-MOPGFXCFSA-N 2 1 284.447 3.042 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000815652138 631814334 /nfs/dbraw/zinc/81/43/34/631814334.db2.gz QPWWTYPYBRJOMI-MOPGFXCFSA-N 2 1 284.447 3.042 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000817957532 632252587 /nfs/dbraw/zinc/25/25/87/632252587.db2.gz CQGJNTNUVZWBNF-CJNGLKHVSA-N 2 1 296.842 3.452 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157997 634067920 /nfs/dbraw/zinc/06/79/20/634067920.db2.gz RGDUDPCJRFYDJO-GDBMZVCRSA-N 2 1 250.430 3.182 20 30 CGEDMP C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000877524720 635072249 /nfs/dbraw/zinc/07/22/49/635072249.db2.gz CTLGIFHGKWINHR-OAHLLOKOSA-N 2 1 273.424 3.120 20 30 CGEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738740 635172522 /nfs/dbraw/zinc/17/25/22/635172522.db2.gz CVEFWGVERXDTDU-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738740 635172525 /nfs/dbraw/zinc/17/25/25/635172525.db2.gz CVEFWGVERXDTDU-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738740 635172528 /nfs/dbraw/zinc/17/25/28/635172528.db2.gz CVEFWGVERXDTDU-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738740 635172529 /nfs/dbraw/zinc/17/25/29/635172529.db2.gz CVEFWGVERXDTDU-SJLPKXTDSA-N 2 1 297.446 3.014 20 30 CGEDMP C#CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878285574 635444437 /nfs/dbraw/zinc/44/44/37/635444437.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285574 635444439 /nfs/dbraw/zinc/44/44/39/635444439.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285574 635444446 /nfs/dbraw/zinc/44/44/46/635444446.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 2 1 274.452 3.129 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000845929603 636120172 /nfs/dbraw/zinc/12/01/72/636120172.db2.gz WIDUOGBNIHGSCR-WBVHZDCISA-N 2 1 296.418 3.410 20 30 CGEDMP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000883390257 636733704 /nfs/dbraw/zinc/73/37/04/636733704.db2.gz IOGFSCCFYXQBEB-YOEHRIQHSA-N 2 1 299.418 3.158 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850341150 637020644 /nfs/dbraw/zinc/02/06/44/637020644.db2.gz ASSNOBZILPVFPU-HIFRSBDPSA-N 2 1 293.480 3.429 20 30 CGEDMP N#CCCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925675387 638565817 /nfs/dbraw/zinc/56/58/17/638565817.db2.gz FAABSOFGXKETEK-XREYTECCSA-N 2 1 295.430 3.008 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@@H+]1C ZINC000929783725 638951206 /nfs/dbraw/zinc/95/12/06/638951206.db2.gz ZHJQCTCENBPQPC-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@H+]1C ZINC000929783725 638951209 /nfs/dbraw/zinc/95/12/09/638951209.db2.gz ZHJQCTCENBPQPC-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783725 638951211 /nfs/dbraw/zinc/95/12/11/638951211.db2.gz ZHJQCTCENBPQPC-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783725 638951214 /nfs/dbraw/zinc/95/12/14/638951214.db2.gz ZHJQCTCENBPQPC-CVEARBPZSA-N 2 1 277.456 3.265 20 30 CGEDMP CCCCCCC[N@@H+](CC)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253391493 806214327 /nfs/dbraw/zinc/21/43/27/806214327.db2.gz PHGHRQCMKQDHPW-OAHLLOKOSA-N 2 1 272.477 3.028 20 30 CGEDMP CN(C)C=[NH+]c1ccc(NC(=[NH2+])C(C)(C)C)cc1C#N ZINC001162664900 806643940 /nfs/dbraw/zinc/64/39/40/806643940.db2.gz VRRUKCGONUXHBM-VCHYOVAHSA-N 2 1 271.368 3.215 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001255971240 806802662 /nfs/dbraw/zinc/80/26/62/806802662.db2.gz HHJXFFPAGRDQLH-HNNXBMFYSA-N 2 1 273.424 3.110 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255971240 806802671 /nfs/dbraw/zinc/80/26/71/806802671.db2.gz HHJXFFPAGRDQLH-HNNXBMFYSA-N 2 1 273.424 3.110 20 30 CGEDMP C#CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800966 802604890 /nfs/dbraw/zinc/60/48/90/802604890.db2.gz JIJNFNBCRBXVBG-IAGOWNOFSA-N 2 1 270.420 3.213 20 30 CGEDMP C#CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800966 802604895 /nfs/dbraw/zinc/60/48/95/802604895.db2.gz JIJNFNBCRBXVBG-IAGOWNOFSA-N 2 1 270.420 3.213 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]C[C@@H]1C ZINC001245981517 804093158 /nfs/dbraw/zinc/09/31/58/804093158.db2.gz HQQJBXLEPAZQRW-ULQDDVLXSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001246014752 804098634 /nfs/dbraw/zinc/09/86/34/804098634.db2.gz CUVNQLVKBPBSGP-IAGOWNOFSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246024380 804100996 /nfs/dbraw/zinc/10/09/96/804100996.db2.gz FNRDVQZGDSXAOI-MSOLQXFVSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035189 804101910 /nfs/dbraw/zinc/10/19/10/804101910.db2.gz ZTEQGPWKYQZZCH-QZTJIDSGSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246035189 804101915 /nfs/dbraw/zinc/10/19/15/804101915.db2.gz ZTEQGPWKYQZZCH-QZTJIDSGSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001246057177 804104535 /nfs/dbraw/zinc/10/45/35/804104535.db2.gz XTOFSCULHFCIIY-IRXDYDNUSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001246057177 804104539 /nfs/dbraw/zinc/10/45/39/804104539.db2.gz XTOFSCULHFCIIY-IRXDYDNUSA-N 2 1 284.488 3.170 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](CC)C1 ZINC001246329726 804284759 /nfs/dbraw/zinc/28/47/59/804284759.db2.gz WQVSTQPADQPZJE-XHSDSOJGSA-N 2 1 288.435 3.433 20 30 CGEDMP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588815 804432402 /nfs/dbraw/zinc/43/24/02/804432402.db2.gz AUCNRBSRZUXTLN-RTBURBONSA-N 2 1 297.446 3.227 20 30 CGEDMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588815 804432403 /nfs/dbraw/zinc/43/24/03/804432403.db2.gz AUCNRBSRZUXTLN-RTBURBONSA-N 2 1 297.446 3.227 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592954 804434795 /nfs/dbraw/zinc/43/47/95/804434795.db2.gz MIBKVYNUNGMRCR-REPLKXPHSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592954 804434803 /nfs/dbraw/zinc/43/48/03/804434803.db2.gz MIBKVYNUNGMRCR-REPLKXPHSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246871060 804573572 /nfs/dbraw/zinc/57/35/72/804573572.db2.gz MTXOQNXUBXBYFT-FUHWJXTLSA-N 2 1 295.515 3.090 20 30 CGEDMP CC[C@H]1CC([N@@H+](C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907206 804591712 /nfs/dbraw/zinc/59/17/12/804591712.db2.gz IPIDIYFQQOOPMB-IRXDYDNUSA-N 2 1 285.435 3.299 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246948017 804614405 /nfs/dbraw/zinc/61/44/05/804614405.db2.gz ZOGQUUXPCBWFOR-CQSZACIVSA-N 2 1 252.446 3.441 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022478 807300104 /nfs/dbraw/zinc/30/01/04/807300104.db2.gz SEMWDYWJYOAZBB-CUSZFKRNSA-N 2 1 270.420 3.039 20 30 CGEDMP C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022478 807300110 /nfs/dbraw/zinc/30/01/10/807300110.db2.gz SEMWDYWJYOAZBB-CUSZFKRNSA-N 2 1 270.420 3.039 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(CC)C[NH2+]C2)cc1 ZINC001168586115 807451410 /nfs/dbraw/zinc/45/14/10/807451410.db2.gz FTMKFXSMSGDCLP-KRWDZBQOSA-N 2 1 285.435 3.173 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001258769205 807603720 /nfs/dbraw/zinc/60/37/20/807603720.db2.gz HBNPEBMBAGJOID-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP C#CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074659 808170094 /nfs/dbraw/zinc/17/00/94/808170094.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172074659 808170097 /nfs/dbraw/zinc/17/00/97/808170097.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074659 808170101 /nfs/dbraw/zinc/17/01/01/808170101.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 2 1 282.431 3.137 20 30 CGEDMP C#CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074659 808170105 /nfs/dbraw/zinc/17/01/05/808170105.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 2 1 282.431 3.137 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCCS)C2 ZINC001172111853 808178616 /nfs/dbraw/zinc/17/86/16/808178616.db2.gz XEEBJTIZSBMQDA-QDMKHBRRSA-N 2 1 270.486 3.082 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCCS)C2 ZINC001172111854 808179353 /nfs/dbraw/zinc/17/93/53/808179353.db2.gz XEEBJTIZSBMQDA-QKDCVEJESA-N 2 1 270.486 3.082 20 30 CGEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172121997 808182830 /nfs/dbraw/zinc/18/28/30/808182830.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172121997 808182835 /nfs/dbraw/zinc/18/28/35/808182835.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121997 808182840 /nfs/dbraw/zinc/18/28/40/808182840.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001172349713 808247322 /nfs/dbraw/zinc/24/73/22/808247322.db2.gz FPMLMEIUPXARPA-MSOLQXFVSA-N 2 1 295.515 3.138 20 30 CGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172495129 808353165 /nfs/dbraw/zinc/35/31/65/808353165.db2.gz MXWKIMVFISUBOT-CQSZACIVSA-N 2 1 286.423 3.011 20 30 CGEDMP N#CCC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001173325898 808612420 /nfs/dbraw/zinc/61/24/20/808612420.db2.gz PLFMQMBOUNEHTQ-UHFFFAOYSA-N 2 1 277.456 3.442 20 30 CGEDMP N#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277943540 809107844 /nfs/dbraw/zinc/10/78/44/809107844.db2.gz YCDZUUKUWMOOOM-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[N@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277943540 809107848 /nfs/dbraw/zinc/10/78/48/809107848.db2.gz YCDZUUKUWMOOOM-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277943540 809107852 /nfs/dbraw/zinc/10/78/52/809107852.db2.gz YCDZUUKUWMOOOM-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[NH+]1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277943540 809107856 /nfs/dbraw/zinc/10/78/56/809107856.db2.gz YCDZUUKUWMOOOM-SFHVURJKSA-N 2 1 289.467 3.411 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203903617 812488604 /nfs/dbraw/zinc/48/86/04/812488604.db2.gz JGZJTIXQJLOVBC-IBGZPJMESA-N 2 1 297.446 3.399 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001203903617 812488608 /nfs/dbraw/zinc/48/86/08/812488608.db2.gz JGZJTIXQJLOVBC-IBGZPJMESA-N 2 1 297.446 3.399 20 30 CGEDMP [NH3+]C1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001204646632 812700439 /nfs/dbraw/zinc/70/04/39/812700439.db2.gz YEJLZOXIKOUSAO-UHFFFAOYSA-N 2 1 290.410 3.010 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211949 812909293 /nfs/dbraw/zinc/90/92/93/812909293.db2.gz WYMZCFJNUPFKPC-SFHVURJKSA-N 2 1 296.499 3.469 20 30 CGEDMP C#C[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207291868 813535765 /nfs/dbraw/zinc/53/57/65/813535765.db2.gz DFKANCXXARTTSU-SFHVURJKSA-N 2 1 296.458 3.244 20 30 CGEDMP N#CCC[N@@H+](CC1CC[NH2+]CC1)C1CCCCCCC1 ZINC001207437159 813565488 /nfs/dbraw/zinc/56/54/88/813565488.db2.gz PNWQQKUBZOFCCX-UHFFFAOYSA-N 2 1 277.456 3.315 20 30 CGEDMP C=CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164180 813955522 /nfs/dbraw/zinc/95/55/22/813955522.db2.gz UINCKMVOFJTCSV-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164180 813955526 /nfs/dbraw/zinc/95/55/26/813955526.db2.gz UINCKMVOFJTCSV-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209164180 813955532 /nfs/dbraw/zinc/95/55/32/813955532.db2.gz UINCKMVOFJTCSV-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971036 818968174 /nfs/dbraw/zinc/96/81/74/818968174.db2.gz NMSNCKWXGLRNEN-QZTJIDSGSA-N 2 1 294.483 3.213 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234995217 818971648 /nfs/dbraw/zinc/97/16/48/818971648.db2.gz ZABJHZCDTSCQLQ-INIZCTEOSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109457 819005301 /nfs/dbraw/zinc/00/53/01/819005301.db2.gz FRUYDMPQKKJZJT-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235109457 819005306 /nfs/dbraw/zinc/00/53/06/819005306.db2.gz FRUYDMPQKKJZJT-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(C#N)c1 ZINC001235157690 819019268 /nfs/dbraw/zinc/01/92/68/819019268.db2.gz KDTOXORKMCOABX-IBGZPJMESA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235255181 819052009 /nfs/dbraw/zinc/05/20/09/819052009.db2.gz CZDGMESBVJWNPA-HZPDHXFCSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264344 819056630 /nfs/dbraw/zinc/05/66/30/819056630.db2.gz WYXKOFYOAVXSLN-HZPDHXFCSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CCCCCCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC001235434037 819097601 /nfs/dbraw/zinc/09/76/01/819097601.db2.gz YLAFVKAGXDVYIF-UHFFFAOYSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963096 819250825 /nfs/dbraw/zinc/25/08/25/819250825.db2.gz UFCPOCDUIAGEPV-HOCLYGCPSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963096 819250826 /nfs/dbraw/zinc/25/08/26/819250826.db2.gz UFCPOCDUIAGEPV-HOCLYGCPSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC001236213716 819376459 /nfs/dbraw/zinc/37/64/59/819376459.db2.gz SXCJUBNXWJDMMF-UHFFFAOYSA-N 2 1 288.435 3.214 20 30 CGEDMP N#Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236373685 819443078 /nfs/dbraw/zinc/44/30/78/819443078.db2.gz JHTGAGXMOVRRPK-SFHVURJKSA-N 2 1 297.446 3.302 20 30 CGEDMP C=CC[N@H+](C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237887188 819870094 /nfs/dbraw/zinc/87/00/94/819870094.db2.gz SEFLLBSWZBIWBI-UHFFFAOYSA-N 2 1 256.393 3.306 20 30 CGEDMP C[NH+](C)[C@H]1CCCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC001320878089 934116208 /nfs/dbraw/zinc/11/62/08/934116208.db2.gz ZGSILNYEXVXTKU-YBXZHIRMSA-N 2 1 297.446 3.073 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC001560488754 938260267 /nfs/dbraw/zinc/26/02/67/938260267.db2.gz QPMDFOKKPLVQDV-IRXDYDNUSA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC001560488754 938260269 /nfs/dbraw/zinc/26/02/69/938260269.db2.gz QPMDFOKKPLVQDV-IRXDYDNUSA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001560859448 938280100 /nfs/dbraw/zinc/28/01/00/938280100.db2.gz LDUOZWPBXFVPJU-UHFFFAOYSA-N 2 1 286.463 3.071 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC001560859448 938280101 /nfs/dbraw/zinc/28/01/01/938280101.db2.gz LDUOZWPBXFVPJU-UHFFFAOYSA-N 2 1 286.463 3.071 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651700453 398271350 /nfs/dbraw/zinc/27/13/50/398271350.db2.gz FTWRUVBFRQPMFQ-MRXNPFEDSA-N 2 1 282.472 3.068 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000651808197 398290619 /nfs/dbraw/zinc/29/06/19/398290619.db2.gz ISRILVZYJCZORV-PMPSAXMXSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000591582318 346929773 /nfs/dbraw/zinc/92/97/73/346929773.db2.gz HAYNGEVZJYLUIK-IUODEOHRSA-N 2 1 287.382 3.023 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623657410 349860083 /nfs/dbraw/zinc/86/00/83/349860083.db2.gz QBDVMVUARQMYRO-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000593181843 347048634 /nfs/dbraw/zinc/04/86/34/347048634.db2.gz KPINJHMRWCVNGZ-OAHLLOKOSA-N 2 1 273.424 3.187 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000593181843 347048639 /nfs/dbraw/zinc/04/86/39/347048639.db2.gz KPINJHMRWCVNGZ-OAHLLOKOSA-N 2 1 273.424 3.187 20 30 CGEDMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000093769960 345887150 /nfs/dbraw/zinc/88/71/50/345887150.db2.gz HVQBCTWTPXPIRS-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000093769960 345887156 /nfs/dbraw/zinc/88/71/56/345887156.db2.gz HVQBCTWTPXPIRS-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093769960 345887161 /nfs/dbraw/zinc/88/71/61/345887161.db2.gz HVQBCTWTPXPIRS-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093769960 345887164 /nfs/dbraw/zinc/88/71/64/345887164.db2.gz HVQBCTWTPXPIRS-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594947307 347237808 /nfs/dbraw/zinc/23/78/08/347237808.db2.gz YOEHJCFEYMRUFK-QGZVFWFLSA-N 2 1 297.446 3.063 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000594978310 347246972 /nfs/dbraw/zinc/24/69/72/347246972.db2.gz SBFBYWLYJHLWKC-UPTPFMHGSA-N 2 1 289.467 3.455 20 30 CGEDMP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000594978310 347246976 /nfs/dbraw/zinc/24/69/76/347246976.db2.gz SBFBYWLYJHLWKC-UPTPFMHGSA-N 2 1 289.467 3.455 20 30 CGEDMP CC(C)[C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000602511370 347972541 /nfs/dbraw/zinc/97/25/41/347972541.db2.gz QROFFQKCTJHVLN-IAGOWNOFSA-N 2 1 279.472 3.272 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514021 347973521 /nfs/dbraw/zinc/97/35/21/347973521.db2.gz KBDQYAGUMRFVPU-GTPINHCMSA-N 2 1 277.456 3.170 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603572 347991977 /nfs/dbraw/zinc/99/19/77/347991977.db2.gz DIZSGRXDTNRLCW-WMZOPIPTSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603572 347991980 /nfs/dbraw/zinc/99/19/80/347991980.db2.gz DIZSGRXDTNRLCW-WMZOPIPTSA-N 2 1 283.419 3.248 20 30 CGEDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900036 191397970 /nfs/dbraw/zinc/39/79/70/191397970.db2.gz AFMKHIPPWFFTND-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900036 191397973 /nfs/dbraw/zinc/39/79/73/191397973.db2.gz AFMKHIPPWFFTND-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341758662 283193843 /nfs/dbraw/zinc/19/38/43/283193843.db2.gz AQYLZTJGSQGQKR-SCTDSRPQSA-N 2 1 295.430 3.152 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000177917200 189078953 /nfs/dbraw/zinc/07/89/53/189078953.db2.gz WACKLKQKZUEMCM-CYBMUJFWSA-N 2 1 264.438 3.439 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353277520 220005218 /nfs/dbraw/zinc/00/52/18/220005218.db2.gz ORGDLEPUCCTDDY-GOSISDBHSA-N 2 1 294.402 3.121 20 30 CGEDMP C[N@@H+](CCCCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110142 369930936 /nfs/dbraw/zinc/93/09/36/369930936.db2.gz ABRDNZHYCOVYCF-GOSISDBHSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+](CCCCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110142 369930939 /nfs/dbraw/zinc/93/09/39/369930939.db2.gz ABRDNZHYCOVYCF-GOSISDBHSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+](CCCCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110142 369930942 /nfs/dbraw/zinc/93/09/42/369930942.db2.gz ABRDNZHYCOVYCF-GOSISDBHSA-N 2 1 285.435 3.134 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253370 370094915 /nfs/dbraw/zinc/09/49/15/370094915.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253370 370094919 /nfs/dbraw/zinc/09/49/19/370094919.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253370 370094926 /nfs/dbraw/zinc/09/49/26/370094926.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 2 1 288.435 3.025 20 30 CGEDMP C=C(C)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000537848339 376202431 /nfs/dbraw/zinc/20/24/31/376202431.db2.gz ZNSLSCGOCZUGEG-UHFFFAOYSA-N 2 1 264.457 3.397 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134897030 371371644 /nfs/dbraw/zinc/37/16/44/371371644.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134897030 371371651 /nfs/dbraw/zinc/37/16/51/371371651.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134897030 371371655 /nfs/dbraw/zinc/37/16/55/371371655.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134897030 371371660 /nfs/dbraw/zinc/37/16/60/371371660.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1 ZINC000423206924 372029957 /nfs/dbraw/zinc/02/99/57/372029957.db2.gz XFWGZRQVKUAVPB-CQSZACIVSA-N 2 1 271.408 3.261 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000294898605 372676032 /nfs/dbraw/zinc/67/60/32/372676032.db2.gz FJPIIVHSYCVQQQ-CYBMUJFWSA-N 2 1 293.480 3.181 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000294898605 372676040 /nfs/dbraw/zinc/67/60/40/372676040.db2.gz FJPIIVHSYCVQQQ-CYBMUJFWSA-N 2 1 293.480 3.181 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C(C)C)CC1 ZINC000468367914 374980083 /nfs/dbraw/zinc/98/00/83/374980083.db2.gz PZVVFARZUUQAKA-IAGOWNOFSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000579915274 378207431 /nfs/dbraw/zinc/20/74/31/378207431.db2.gz PPKVXDBNQBHEML-JKSUJKDBSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCOCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000348026640 378758023 /nfs/dbraw/zinc/75/80/23/378758023.db2.gz FGWOYLVQAVQKAH-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000348026640 378758029 /nfs/dbraw/zinc/75/80/29/378758029.db2.gz FGWOYLVQAVQKAH-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000348026640 378758034 /nfs/dbraw/zinc/75/80/34/378758034.db2.gz FGWOYLVQAVQKAH-ZWKOTPCHSA-N 2 1 294.483 3.166 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000351430328 379721930 /nfs/dbraw/zinc/72/19/30/379721930.db2.gz YEKVJKWULHGKOP-BBWFWOEESA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000351430328 379721938 /nfs/dbraw/zinc/72/19/38/379721938.db2.gz YEKVJKWULHGKOP-BBWFWOEESA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000351430328 379721947 /nfs/dbraw/zinc/72/19/47/379721947.db2.gz YEKVJKWULHGKOP-BBWFWOEESA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351430328 379721954 /nfs/dbraw/zinc/72/19/54/379721954.db2.gz YEKVJKWULHGKOP-BBWFWOEESA-N 2 1 277.456 3.265 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163400 380194920 /nfs/dbraw/zinc/19/49/20/380194920.db2.gz IMVHDDONCJDZAU-SJORKVTESA-N 2 1 285.435 3.351 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@H]1c1ccccc1 ZINC000414163400 380194926 /nfs/dbraw/zinc/19/49/26/380194926.db2.gz IMVHDDONCJDZAU-SJORKVTESA-N 2 1 285.435 3.351 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453381907 542682565 /nfs/dbraw/zinc/68/25/65/542682565.db2.gz XYJLVJXQGZUWOK-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453381907 542682568 /nfs/dbraw/zinc/68/25/68/542682568.db2.gz XYJLVJXQGZUWOK-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174876677 392647469 /nfs/dbraw/zinc/64/74/69/392647469.db2.gz FRIJQLVMDOSXDT-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028280 392657490 /nfs/dbraw/zinc/65/74/90/392657490.db2.gz XXQYCZOJPZUFHD-KURKYZTESA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404581341 392968106 /nfs/dbraw/zinc/96/81/06/392968106.db2.gz GFMRDNDBMALZLH-BBRMVZONSA-N 2 1 289.398 3.098 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487298601 393451381 /nfs/dbraw/zinc/45/13/81/393451381.db2.gz KQIXUFKUQTVIJZ-ZFWWWQNUSA-N 2 1 250.430 3.051 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461164 /nfs/dbraw/zinc/46/11/64/393461164.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461166 /nfs/dbraw/zinc/46/11/66/393461166.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461171 /nfs/dbraw/zinc/46/11/71/393461171.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423303436 393660597 /nfs/dbraw/zinc/66/05/97/393660597.db2.gz XBWRFNJHFBLWSF-FUHWJXTLSA-N 2 1 285.435 3.433 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000449605127 393918204 /nfs/dbraw/zinc/91/82/04/393918204.db2.gz MCFMXMKHHMCURA-HZPDHXFCSA-N 2 1 262.441 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678420959 543523892 /nfs/dbraw/zinc/52/38/92/543523892.db2.gz GDEKDTBMTSOYFF-MRXNPFEDSA-N 2 1 287.451 3.390 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678698228 543549596 /nfs/dbraw/zinc/54/95/96/543549596.db2.gz NJUFRHCJAXQUPZ-ARFHVFGLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662299424 419388549 /nfs/dbraw/zinc/38/85/49/419388549.db2.gz PMKREQXWJMBQJX-MRXNPFEDSA-N 2 1 250.430 3.054 20 30 CGEDMP N#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278717545 263049814 /nfs/dbraw/zinc/04/98/14/263049814.db2.gz MAOGFNUFIMJOKM-NNZMDNLPSA-N 2 1 283.419 3.075 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000298429441 263219423 /nfs/dbraw/zinc/21/94/23/263219423.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429441 263219424 /nfs/dbraw/zinc/21/94/24/263219424.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429441 263219425 /nfs/dbraw/zinc/21/94/25/263219425.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 2 1 297.446 3.277 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000453390525 263260191 /nfs/dbraw/zinc/26/01/91/263260191.db2.gz YEQCONWUOPMUHJ-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276359925 328217912 /nfs/dbraw/zinc/21/79/12/328217912.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276359925 328217914 /nfs/dbraw/zinc/21/79/14/328217914.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276359925 328217915 /nfs/dbraw/zinc/21/79/15/328217915.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 2 1 285.435 3.133 20 30 CGEDMP C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423136661 330172071 /nfs/dbraw/zinc/17/20/71/330172071.db2.gz VNNVFXAIXVJDMA-UAGQMJEPSA-N 2 1 271.408 3.152 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000537049249 330394768 /nfs/dbraw/zinc/39/47/68/330394768.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000537049249 330394769 /nfs/dbraw/zinc/39/47/69/330394769.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049249 330394770 /nfs/dbraw/zinc/39/47/70/330394770.db2.gz YGWRMGMJXCFIJR-WBVHZDCISA-N 2 1 264.457 3.395 20 30 CGEDMP CCC(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449076618 330897511 /nfs/dbraw/zinc/89/75/11/330897511.db2.gz PRDWKAZKRHBQGV-AQFXKWCLSA-N 2 1 279.472 3.415 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449382315 330921183 /nfs/dbraw/zinc/92/11/83/330921183.db2.gz BYODHDNDMUUOBW-ULQDDVLXSA-N 2 1 277.456 3.169 20 30 CGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052307 /nfs/dbraw/zinc/05/23/07/333052307.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052308 /nfs/dbraw/zinc/05/23/08/333052308.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052309 /nfs/dbraw/zinc/05/23/09/333052309.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759328 333148279 /nfs/dbraw/zinc/14/82/79/333148279.db2.gz VNLBSKPJSNWHLK-JKSUJKDBSA-N 2 1 277.456 3.313 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189115730 333181355 /nfs/dbraw/zinc/18/13/55/333181355.db2.gz DTRRVYKQTAPICJ-MRXNPFEDSA-N 2 1 262.441 3.339 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052851 334325937 /nfs/dbraw/zinc/32/59/37/334325937.db2.gz XZSATMDYQDJBLM-YYIAUSFCSA-N 2 1 277.456 3.026 20 30 CGEDMP C=CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926473 336077871 /nfs/dbraw/zinc/07/78/71/336077871.db2.gz PYTWSUQKDNIDBW-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903018210 621521202 /nfs/dbraw/zinc/52/12/02/621521202.db2.gz YYSUWOPROYMJNZ-CRAIPNDOSA-N 2 1 285.435 3.331 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000903463662 621753841 /nfs/dbraw/zinc/75/38/41/621753841.db2.gz IIZJMACVWRSGDL-LEOMRAHMSA-N 2 1 289.467 3.028 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1CCCC[NH2+]C1 ZINC000903718217 621795486 /nfs/dbraw/zinc/79/54/86/621795486.db2.gz INADZWBQJBZWOJ-AWEZNQCLSA-N 2 1 264.438 3.126 20 30 CGEDMP C=CC[N@H+](Cc1cccs1)C[C@H]1CCCC[NH2+]C1 ZINC000903718217 621795487 /nfs/dbraw/zinc/79/54/87/621795487.db2.gz INADZWBQJBZWOJ-AWEZNQCLSA-N 2 1 264.438 3.126 20 30 CGEDMP N#CC1(CCCC[N@@H+]2CCCC[C@@H]2CC[NH3+])CCC1 ZINC000903749163 621799849 /nfs/dbraw/zinc/79/98/49/621799849.db2.gz GMSOGXKDOVAVTH-OAHLLOKOSA-N 2 1 263.429 3.054 20 30 CGEDMP N#CC1CCC(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000929720053 623528992 /nfs/dbraw/zinc/52/89/92/623528992.db2.gz UKKZIIBUGIFIDF-DAWZGUTISA-N 2 1 289.467 3.124 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)CCN1C ZINC000929783726 623639996 /nfs/dbraw/zinc/63/99/96/623639996.db2.gz ZHJQCTCENBPQPC-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@@H+]1C ZINC000929783726 623640017 /nfs/dbraw/zinc/64/00/17/623640017.db2.gz ZHJQCTCENBPQPC-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@H+]1C ZINC000929783726 623640029 /nfs/dbraw/zinc/64/00/29/623640029.db2.gz ZHJQCTCENBPQPC-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783726 623640038 /nfs/dbraw/zinc/64/00/38/623640038.db2.gz ZHJQCTCENBPQPC-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783726 623640045 /nfs/dbraw/zinc/64/00/45/623640045.db2.gz ZHJQCTCENBPQPC-HOTGVXAUSA-N 2 1 277.456 3.265 20 30 CGEDMP C#C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000809684419 630780050 /nfs/dbraw/zinc/78/00/50/630780050.db2.gz BEYMDRCHAPJCQL-WDSOQIARSA-N 2 1 284.447 3.144 20 30 CGEDMP CC(C)C[N@@H+](C[C@@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877767166 635193523 /nfs/dbraw/zinc/19/35/23/635193523.db2.gz AXXDLMVBGCSLSE-INIZCTEOSA-N 2 1 279.472 3.226 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850341152 637020823 /nfs/dbraw/zinc/02/08/23/637020823.db2.gz ASSNOBZILPVFPU-ZFWWWQNUSA-N 2 1 293.480 3.429 20 30 CGEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925810985 638619704 /nfs/dbraw/zinc/61/97/04/638619704.db2.gz BPIOPUJYPFOJRA-CZUORRHYSA-N 2 1 289.398 3.098 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950686 /nfs/dbraw/zinc/95/06/86/638950686.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950687 /nfs/dbraw/zinc/95/06/87/638950687.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 2 1 299.462 3.480 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950688 /nfs/dbraw/zinc/95/06/88/638950688.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 2 1 299.462 3.480 20 30 CGEDMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304754312 640868556 /nfs/dbraw/zinc/86/85/56/640868556.db2.gz LUGKCKKPXHYDJI-UHFFFAOYSA-N 2 1 290.455 3.269 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721314 800178425 /nfs/dbraw/zinc/17/84/25/800178425.db2.gz ZXZINZVTJHSOKR-VJANTYMQSA-N 2 1 282.431 3.041 20 30 CGEDMP C#CC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256560183 806916780 /nfs/dbraw/zinc/91/67/80/806916780.db2.gz PSSSXTYISZRGTB-FXAWDEMLSA-N 2 1 296.458 3.385 20 30 CGEDMP C#CC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256560183 806916781 /nfs/dbraw/zinc/91/67/81/806916781.db2.gz PSSSXTYISZRGTB-FXAWDEMLSA-N 2 1 296.458 3.385 20 30 CGEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c1O ZINC001138631631 803985364 /nfs/dbraw/zinc/98/53/64/803985364.db2.gz WJCNTVSCXCDTDY-UHFFFAOYSA-N 2 1 288.435 3.037 20 30 CGEDMP C=CCc1cccc(C[NH+]2CCC([N@H+](C)CC)CC2)c1O ZINC001138631631 803985371 /nfs/dbraw/zinc/98/53/71/803985371.db2.gz WJCNTVSCXCDTDY-UHFFFAOYSA-N 2 1 288.435 3.037 20 30 CGEDMP C=CCc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1O ZINC001138629359 803986075 /nfs/dbraw/zinc/98/60/75/803986075.db2.gz WCSYRQAGEVNSTA-UHFFFAOYSA-N 2 1 288.435 3.038 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246028247 804102213 /nfs/dbraw/zinc/10/22/13/804102213.db2.gz JBLCQGJTTNOCPW-KURKYZTESA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246057176 804105257 /nfs/dbraw/zinc/10/52/57/804105257.db2.gz XTOFSCULHFCIIY-IAGOWNOFSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246057176 804105261 /nfs/dbraw/zinc/10/52/61/804105261.db2.gz XTOFSCULHFCIIY-IAGOWNOFSA-N 2 1 284.488 3.170 20 30 CGEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246100449 804133282 /nfs/dbraw/zinc/13/32/82/804133282.db2.gz DBVXIIPUDFRBEL-YOODTLSXSA-N 2 1 297.446 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246215600 804211644 /nfs/dbraw/zinc/21/16/44/804211644.db2.gz ZNJLEPMMZADUIJ-BBWFWOEESA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246215600 804211655 /nfs/dbraw/zinc/21/16/55/804211655.db2.gz ZNJLEPMMZADUIJ-BBWFWOEESA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242014 804233558 /nfs/dbraw/zinc/23/35/58/804233558.db2.gz VZYCQCXFSCTGSB-JKSUJKDBSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246267852 804248580 /nfs/dbraw/zinc/24/85/80/804248580.db2.gz ZNJLEPMMZADUIJ-GVDBMIGSSA-N 2 1 284.488 3.218 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246335200 804290066 /nfs/dbraw/zinc/29/00/66/804290066.db2.gz HBYRPOTWTTYXEV-ZBFHGGJFSA-N 2 1 262.372 3.196 20 30 CGEDMP N#Cc1ccc(C2CCC([N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)CC2)cc1 ZINC001246531834 804384011 /nfs/dbraw/zinc/38/40/11/804384011.db2.gz GIRRDXKDKQTAHX-DAWZGUTISA-N 2 1 295.430 3.008 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@@H]([NH3+])C4(CC4)C3)CC2)cc1 ZINC001246531834 804384019 /nfs/dbraw/zinc/38/40/19/804384019.db2.gz GIRRDXKDKQTAHX-DAWZGUTISA-N 2 1 295.430 3.008 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246540995 804391605 /nfs/dbraw/zinc/39/16/05/804391605.db2.gz NHMMRSMYBXRQIZ-FPCVCCKLSA-N 2 1 252.446 3.262 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588955 804431585 /nfs/dbraw/zinc/43/15/85/804431585.db2.gz YFQVDJZCXQRFDP-GVDBMIGSSA-N 2 1 284.488 3.013 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246871976 804572866 /nfs/dbraw/zinc/57/28/66/804572866.db2.gz SIVWOOSGCBVUJL-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947481 804613762 /nfs/dbraw/zinc/61/37/62/804613762.db2.gz KRROFMMTQJRCBX-CAOSSQGBSA-N 2 1 252.446 3.275 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@](C)(C[NH3+])C3)C[C@H](C1)C2 ZINC001247001752 804636259 /nfs/dbraw/zinc/63/62/59/804636259.db2.gz KSRWZABOHZTEQW-WFVVYAPDSA-N 2 1 262.441 3.182 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167965656 807288781 /nfs/dbraw/zinc/28/87/81/807288781.db2.gz JLIHUPTVIMJYKI-UBZVNHDXSA-N 2 1 287.451 3.064 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258231611 807378749 /nfs/dbraw/zinc/37/87/49/807378749.db2.gz RJPHVQFDMYAKPP-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258231611 807378757 /nfs/dbraw/zinc/37/87/57/807378757.db2.gz RJPHVQFDMYAKPP-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722925 807571033 /nfs/dbraw/zinc/57/10/33/807571033.db2.gz PFQVJYRNMCGNQW-FVQBIDKESA-N 2 1 250.430 3.323 20 30 CGEDMP C=CCC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258722924 807571224 /nfs/dbraw/zinc/57/12/24/807571224.db2.gz PFQVJYRNMCGNQW-BPUTZDHNSA-N 2 1 250.430 3.323 20 30 CGEDMP C=CCC[C@H](C)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258724114 807572448 /nfs/dbraw/zinc/57/24/48/807572448.db2.gz NKZZUXSGTMQYSF-JYJNAYRXSA-N 2 1 280.456 3.092 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172346690 808245783 /nfs/dbraw/zinc/24/57/83/808245783.db2.gz LOSYIAXHVXAPBV-INIZCTEOSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCC[C@@H](CCC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172500651 808355339 /nfs/dbraw/zinc/35/53/39/808355339.db2.gz BSZWTXYDIZQTNG-HZPDHXFCSA-N 2 1 295.471 3.447 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501146 808355997 /nfs/dbraw/zinc/35/59/97/808355997.db2.gz AGUTYVQAYWGFMI-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501146 808356005 /nfs/dbraw/zinc/35/60/05/808356005.db2.gz AGUTYVQAYWGFMI-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP CC(C)[N@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173334660 808617780 /nfs/dbraw/zinc/61/77/80/808617780.db2.gz ZKPWMETVEBCTMK-PQCUMEFNSA-N 2 1 277.456 3.439 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173591710 808648405 /nfs/dbraw/zinc/64/84/05/808648405.db2.gz QJOAYOMRHHTJJL-CKDBGZEDSA-N 2 1 277.456 3.311 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173591710 808648409 /nfs/dbraw/zinc/64/84/09/808648409.db2.gz QJOAYOMRHHTJJL-CKDBGZEDSA-N 2 1 277.456 3.311 20 30 CGEDMP C=CCCC[N@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001274962623 808894825 /nfs/dbraw/zinc/89/48/25/808894825.db2.gz PLAZCMRSXIVJCZ-UHFFFAOYSA-N 2 1 284.447 3.432 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274974672 808895998 /nfs/dbraw/zinc/89/59/98/808895998.db2.gz ORZAYOHJCZPGKL-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274974672 808896003 /nfs/dbraw/zinc/89/60/03/808896003.db2.gz ORZAYOHJCZPGKL-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274974672 808896008 /nfs/dbraw/zinc/89/60/08/808896008.db2.gz ORZAYOHJCZPGKL-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001276242843 808995998 /nfs/dbraw/zinc/99/59/98/808995998.db2.gz RHTJKTVDVNWDRG-UHFFFAOYSA-N 2 1 297.446 3.060 20 30 CGEDMP C=CCCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195537015 811264477 /nfs/dbraw/zinc/26/44/77/811264477.db2.gz UOZJDTZOUHTJRK-UHFFFAOYSA-N 2 1 273.424 3.340 20 30 CGEDMP CCCCCCCCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001201875410 811973591 /nfs/dbraw/zinc/97/35/91/811973591.db2.gz YPOCQRYXZYNFDV-UHFFFAOYSA-N 2 1 295.515 3.059 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546406 812999118 /nfs/dbraw/zinc/99/91/18/812999118.db2.gz UUPMESQWLSJFDW-OAHLLOKOSA-N 2 1 256.409 3.276 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@H]1C[NH3+] ZINC001205617955 813028960 /nfs/dbraw/zinc/02/89/60/813028960.db2.gz PYPQLLVGEXPQBL-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001206310709 813283991 /nfs/dbraw/zinc/28/39/91/813283991.db2.gz AIZQHEKDUFSATA-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001206319180 813286766 /nfs/dbraw/zinc/28/67/66/813286766.db2.gz ZITJBTJDXNIZCM-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CCc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1O ZINC001206548123 813346797 /nfs/dbraw/zinc/34/67/97/813346797.db2.gz HBAQULIOQDJUEX-GOSISDBHSA-N 2 1 288.435 3.072 20 30 CGEDMP N#C[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951318 813908606 /nfs/dbraw/zinc/90/86/06/813908606.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951318 813908609 /nfs/dbraw/zinc/90/86/09/813908609.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951318 813908613 /nfs/dbraw/zinc/90/86/13/813908613.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209164181 813955216 /nfs/dbraw/zinc/95/52/16/813955216.db2.gz UINCKMVOFJTCSV-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164181 813955217 /nfs/dbraw/zinc/95/52/17/813955217.db2.gz UINCKMVOFJTCSV-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164181 813955220 /nfs/dbraw/zinc/95/52/20/813955220.db2.gz UINCKMVOFJTCSV-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209442609 814044261 /nfs/dbraw/zinc/04/42/61/814044261.db2.gz ZEDJRRVLAFFPPH-SJORKVTESA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209442609 814044265 /nfs/dbraw/zinc/04/42/65/814044265.db2.gz ZEDJRRVLAFFPPH-SJORKVTESA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209442609 814044271 /nfs/dbraw/zinc/04/42/71/814044271.db2.gz ZEDJRRVLAFFPPH-SJORKVTESA-N 2 1 264.457 3.397 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222167844 816368323 /nfs/dbraw/zinc/36/83/23/816368323.db2.gz SXOBTLORWSZGFF-FQEVSTJZSA-N 2 1 296.458 3.414 20 30 CGEDMP N#Cc1cccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222385543 816425637 /nfs/dbraw/zinc/42/56/37/816425637.db2.gz PZKZCFGJYSEKQP-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1cccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1 ZINC001222385543 816425643 /nfs/dbraw/zinc/42/56/43/816425643.db2.gz PZKZCFGJYSEKQP-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP C=CCCCC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153363 819017830 /nfs/dbraw/zinc/01/78/30/819017830.db2.gz RTVKSQXVJZSMNA-INIZCTEOSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717348 819150479 /nfs/dbraw/zinc/15/04/79/819150479.db2.gz RPMZWQIHVGNCJJ-UHFFFAOYSA-N 2 1 288.435 3.073 20 30 CGEDMP Cc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001236478204 819495060 /nfs/dbraw/zinc/49/50/60/819495060.db2.gz ZJIRTUVGXRZALJ-GOSISDBHSA-N 2 1 285.435 3.077 20 30 CGEDMP Cc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001236478204 819495065 /nfs/dbraw/zinc/49/50/65/819495065.db2.gz ZJIRTUVGXRZALJ-GOSISDBHSA-N 2 1 285.435 3.077 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383457 819737504 /nfs/dbraw/zinc/73/75/04/819737504.db2.gz PFRYTSGMCFLULE-HZPDHXFCSA-N 2 1 250.430 3.197 20 30 CGEDMP C#CCCCNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001162445854 931988674 /nfs/dbraw/zinc/98/86/74/931988674.db2.gz QRFLNCFOSLUYEL-MRXNPFEDSA-N 2 1 296.418 3.176 20 30 CGEDMP N#CC1(c2ccccc2)CC([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC001329025113 935180292 /nfs/dbraw/zinc/18/02/92/935180292.db2.gz YPBXPVCOFHXTAC-XBMUEBEBSA-N 2 1 297.446 3.108 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001579553778 962641739 /nfs/dbraw/zinc/64/17/39/962641739.db2.gz BLVSFDARXXIMFQ-GOSISDBHSA-N 2 1 285.435 3.064 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000651706049 398272071 /nfs/dbraw/zinc/27/20/71/398272071.db2.gz QGWFMFPCKFONEL-IXDOHACOSA-N 2 1 264.457 3.441 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000591582516 346929697 /nfs/dbraw/zinc/92/96/97/346929697.db2.gz YMBPCRCTDTZLPI-MSOLQXFVSA-N 2 1 283.419 3.043 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404324 346985113 /nfs/dbraw/zinc/98/51/13/346985113.db2.gz XMFXXROJZBEGEP-YSHGAJCASA-N 2 1 297.446 3.004 20 30 CGEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493866 347177914 /nfs/dbraw/zinc/17/79/14/347177914.db2.gz TWZNKNQFIOAYOX-UHFFFAOYSA-N 2 1 287.451 3.309 20 30 CGEDMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057213 347272372 /nfs/dbraw/zinc/27/23/72/347272372.db2.gz VGPXNYAIWGFCHT-AEFFLSMTSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012195 347527154 /nfs/dbraw/zinc/52/71/54/347527154.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012195 347527156 /nfs/dbraw/zinc/52/71/56/347527156.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012195 347527161 /nfs/dbraw/zinc/52/71/61/347527161.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012195 347527164 /nfs/dbraw/zinc/52/71/64/347527164.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 2 1 297.446 3.156 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C#N ZINC000600712567 347830252 /nfs/dbraw/zinc/83/02/52/347830252.db2.gz YOBKSEKCNOLYCR-ZWKOTPCHSA-N 2 1 297.446 3.078 20 30 CGEDMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525416 347976039 /nfs/dbraw/zinc/97/60/39/347976039.db2.gz HFTRIACAMNMOQW-FHERZECASA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525416 347976042 /nfs/dbraw/zinc/97/60/42/347976042.db2.gz HFTRIACAMNMOQW-FHERZECASA-N 2 1 277.456 3.169 20 30 CGEDMP N#CC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602649947 348000609 /nfs/dbraw/zinc/00/06/09/348000609.db2.gz QVHOQHHGJFPCBR-AVAKVYKDSA-N 2 1 297.446 3.180 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602545288 347979365 /nfs/dbraw/zinc/97/93/65/347979365.db2.gz PEZURYAQCVPCSA-UHFFFAOYSA-N 2 1 285.435 3.310 20 30 CGEDMP C=CC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000628405841 350530052 /nfs/dbraw/zinc/53/00/52/350530052.db2.gz WAQMISMQQHYCNA-INIZCTEOSA-N 2 1 288.435 3.025 20 30 CGEDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188606 235359242 /nfs/dbraw/zinc/35/92/42/235359242.db2.gz QMGOQRPCEUFHNG-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179174821 189175121 /nfs/dbraw/zinc/17/51/21/189175121.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179174821 189175122 /nfs/dbraw/zinc/17/51/22/189175122.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000179174821 189175123 /nfs/dbraw/zinc/17/51/23/189175123.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179174821 189175124 /nfs/dbraw/zinc/17/51/24/189175124.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 2 1 295.430 3.007 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000180130056 189238316 /nfs/dbraw/zinc/23/83/16/189238316.db2.gz OSRJOLNWHJTADE-CQSZACIVSA-N 2 1 282.391 3.194 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150646 /nfs/dbraw/zinc/15/06/46/370150646.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150649 /nfs/dbraw/zinc/15/06/49/370150649.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150651 /nfs/dbraw/zinc/15/06/51/370150651.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150654 /nfs/dbraw/zinc/15/06/54/370150654.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[NH+](C)C1 ZINC000135234149 371404118 /nfs/dbraw/zinc/40/41/18/371404118.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000135234149 371404123 /nfs/dbraw/zinc/40/41/23/371404123.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP C[NH+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000135234149 371404128 /nfs/dbraw/zinc/40/41/28/371404128.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 2 1 299.462 3.261 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249098 371406221 /nfs/dbraw/zinc/40/62/21/371406221.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249098 371406228 /nfs/dbraw/zinc/40/62/28/371406228.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249098 371406234 /nfs/dbraw/zinc/40/62/34/371406234.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249098 371406242 /nfs/dbraw/zinc/40/62/42/371406242.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(C#N)c1 ZINC000423197967 372022057 /nfs/dbraw/zinc/02/20/57/372022057.db2.gz CHLFDUVOSNIOHM-CQSZACIVSA-N 2 1 271.408 3.261 20 30 CGEDMP C=CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291484255 372169982 /nfs/dbraw/zinc/16/99/82/372169982.db2.gz RPNISRZPVRUTIJ-UHFFFAOYSA-N 2 1 270.420 3.161 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429726481 372377528 /nfs/dbraw/zinc/37/75/28/372377528.db2.gz UVQAZWCCDRIYAP-SJORKVTESA-N 2 1 277.456 3.123 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432423525 372567725 /nfs/dbraw/zinc/56/77/25/372567725.db2.gz KBQLHAFWQPVOJV-IRXDYDNUSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432423525 372567736 /nfs/dbraw/zinc/56/77/36/372567736.db2.gz KBQLHAFWQPVOJV-IRXDYDNUSA-N 2 1 282.472 3.212 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000442710481 373068453 /nfs/dbraw/zinc/06/84/53/373068453.db2.gz CQDMUWDDOBCJQO-PMPSAXMXSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767073 373075743 /nfs/dbraw/zinc/07/57/43/373075743.db2.gz LZBGCHAMSNZNBK-NXHRZFHOSA-N 2 1 285.435 3.179 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1F ZINC000442794828 373086277 /nfs/dbraw/zinc/08/62/77/373086277.db2.gz QKHKPGFQNUYSLN-ZFWWWQNUSA-N 2 1 298.365 3.102 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181717874 374160436 /nfs/dbraw/zinc/16/04/36/374160436.db2.gz FOKLDOJIAUFZGT-IRXDYDNUSA-N 2 1 294.483 3.210 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000480704029 375160129 /nfs/dbraw/zinc/16/01/29/375160129.db2.gz YVGXXVBTZHSOTG-ARFHVFGLSA-N 2 1 252.446 3.441 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000246374565 377017891 /nfs/dbraw/zinc/01/78/91/377017891.db2.gz JQMIHSWCZRFBMK-DJIMGWMZSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000246374565 377017894 /nfs/dbraw/zinc/01/78/94/377017894.db2.gz JQMIHSWCZRFBMK-DJIMGWMZSA-N 2 1 271.408 3.104 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248713488 377385580 /nfs/dbraw/zinc/38/55/80/377385580.db2.gz BOUUWYXAQLWJJJ-CRAIPNDOSA-N 2 1 285.435 3.310 20 30 CGEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025383 378430603 /nfs/dbraw/zinc/43/06/03/378430603.db2.gz JWXSAMGPVIYNEF-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025383 378430607 /nfs/dbraw/zinc/43/06/07/378430607.db2.gz JWXSAMGPVIYNEF-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025383 378430611 /nfs/dbraw/zinc/43/06/11/378430611.db2.gz JWXSAMGPVIYNEF-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025383 378430615 /nfs/dbraw/zinc/43/06/15/378430615.db2.gz JWXSAMGPVIYNEF-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271963444 378531569 /nfs/dbraw/zinc/53/15/69/378531569.db2.gz UVLATAHSHYTPKY-AWEZNQCLSA-N 2 1 289.398 3.224 20 30 CGEDMP C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000346982254 378702419 /nfs/dbraw/zinc/70/24/19/378702419.db2.gz NSPFRYQFFVRHOR-INIZCTEOSA-N 2 1 250.430 3.054 20 30 CGEDMP C[N@H+](CC#Cc1ccccc1)CCCC[NH+]1CCCCC1 ZINC000640534330 379819260 /nfs/dbraw/zinc/81/92/60/379819260.db2.gz PRYJXJUBOUXKRQ-UHFFFAOYSA-N 2 1 284.447 3.236 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000414296154 380207000 /nfs/dbraw/zinc/20/70/00/380207000.db2.gz FYHMYVMXBBOVIV-NXHRZFHOSA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000414296154 380207007 /nfs/dbraw/zinc/20/70/07/380207007.db2.gz FYHMYVMXBBOVIV-NXHRZFHOSA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420301673 380845997 /nfs/dbraw/zinc/84/59/97/380845997.db2.gz ISYVYJHSQLAUAK-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000019913032 391937806 /nfs/dbraw/zinc/93/78/06/391937806.db2.gz NPVYJKMFOOYPEE-CVEARBPZSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000285663528 392329674 /nfs/dbraw/zinc/32/96/74/392329674.db2.gz MYTNDXXKUWGMSS-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663528 392329676 /nfs/dbraw/zinc/32/96/76/392329676.db2.gz MYTNDXXKUWGMSS-LSDHHAIUSA-N 2 1 262.397 3.218 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000290348027 392445429 /nfs/dbraw/zinc/44/54/29/392445429.db2.gz LSZQVGZVFVFXAN-UHFFFAOYSA-N 2 1 288.435 3.139 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186245169 392780102 /nfs/dbraw/zinc/78/01/02/392780102.db2.gz BIVRLWDSYOOUTQ-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186245169 392780107 /nfs/dbraw/zinc/78/01/07/392780107.db2.gz BIVRLWDSYOOUTQ-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443988948 393780255 /nfs/dbraw/zinc/78/02/55/393780255.db2.gz PWBLTGWCDCFIIN-INIZCTEOSA-N 2 1 285.435 3.221 20 30 CGEDMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443988948 393780259 /nfs/dbraw/zinc/78/02/59/393780259.db2.gz PWBLTGWCDCFIIN-INIZCTEOSA-N 2 1 285.435 3.221 20 30 CGEDMP C=C(C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679360386 543629083 /nfs/dbraw/zinc/62/90/83/543629083.db2.gz PIHRRBBKWDZXLS-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP CCC#C[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000684005280 543960030 /nfs/dbraw/zinc/96/00/30/543960030.db2.gz PLZNTGJHIDQBNY-OAHLLOKOSA-N 2 1 285.435 3.201 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661055 419176276 /nfs/dbraw/zinc/17/62/76/419176276.db2.gz BLWUSBHNJAXHTC-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCN1C(C)C ZINC000662089747 419334665 /nfs/dbraw/zinc/33/46/65/419334665.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 1 262.441 3.432 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@H+]1C(C)C ZINC000662089747 419334666 /nfs/dbraw/zinc/33/46/66/419334666.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 1 262.441 3.432 20 30 CGEDMP C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000662089747 419334668 /nfs/dbraw/zinc/33/46/68/419334668.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000658035567 419514955 /nfs/dbraw/zinc/51/49/55/419514955.db2.gz OJDIAFFDICHMJG-ZACQAIPSSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663469478 419621386 /nfs/dbraw/zinc/62/13/86/419621386.db2.gz PORMNSULSPDLMV-WMZOPIPTSA-N 2 1 276.468 3.443 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414691087 263032743 /nfs/dbraw/zinc/03/27/43/263032743.db2.gz NZSHZMWDQHFQHL-HUUCEWRRSA-N 2 1 276.399 3.202 20 30 CGEDMP C=CCCOCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317157 263110294 /nfs/dbraw/zinc/11/02/94/263110294.db2.gz UEXGSNVYWKHDNE-ZWKOTPCHSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317157 263110295 /nfs/dbraw/zinc/11/02/95/263110295.db2.gz UEXGSNVYWKHDNE-ZWKOTPCHSA-N 2 1 288.435 3.004 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340441718 263149970 /nfs/dbraw/zinc/14/99/70/263149970.db2.gz DITOHOGPOTXOJS-SFHVURJKSA-N 2 1 285.435 3.495 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000298429434 263219405 /nfs/dbraw/zinc/21/94/05/263219405.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429434 263219406 /nfs/dbraw/zinc/21/94/06/263219406.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429434 263219408 /nfs/dbraw/zinc/21/94/08/263219408.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 2 1 297.446 3.277 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000120987906 263290282 /nfs/dbraw/zinc/29/02/82/263290282.db2.gz NUOQUFYKDRLJKY-CZUORRHYSA-N 2 1 261.413 3.162 20 30 CGEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423494779 303201345 /nfs/dbraw/zinc/20/13/45/303201345.db2.gz BAHLEVQONGFPRZ-MOPGFXCFSA-N 2 1 297.446 3.433 20 30 CGEDMP C[NH+]1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340432019 328276826 /nfs/dbraw/zinc/27/68/26/328276826.db2.gz LSBLBKWNMJDHHW-QGZVFWFLSA-N 2 1 271.408 3.105 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@@H+]1C ZINC000340450988 328279168 /nfs/dbraw/zinc/27/91/68/328279168.db2.gz YVTCCMPBABQLLI-NJAFHUGGSA-N 2 1 285.435 3.494 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000340450988 328279169 /nfs/dbraw/zinc/27/91/69/328279169.db2.gz YVTCCMPBABQLLI-NJAFHUGGSA-N 2 1 285.435 3.494 20 30 CGEDMP C=CCCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000560187125 327288975 /nfs/dbraw/zinc/28/89/75/327288975.db2.gz MHQTUUINIBSVFC-CALCHBBNSA-N 2 1 294.483 3.164 20 30 CGEDMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185796816 329332157 /nfs/dbraw/zinc/33/21/57/329332157.db2.gz QHLOVRYTKBWRIU-OVYGPGRDSA-N 2 1 277.456 3.025 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459799699 329399307 /nfs/dbraw/zinc/39/93/07/329399307.db2.gz YWYTZIPRMUFPDB-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528148 330210189 /nfs/dbraw/zinc/21/01/89/330210189.db2.gz NEJFLJGATJUYGY-RYQLBKOJSA-N 2 1 272.436 3.467 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000527927976 330296869 /nfs/dbraw/zinc/29/68/69/330296869.db2.gz SNIDGVICGIKLIC-RBSFLKMASA-N 2 1 250.430 3.051 20 30 CGEDMP CC#CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000462318968 331319379 /nfs/dbraw/zinc/31/93/79/331319379.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C[C@@H]1C[C@H](N(C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123023 334116509 /nfs/dbraw/zinc/11/65/09/334116509.db2.gz OSLLPYNUINOGRE-GDBMZVCRSA-N 2 1 290.838 3.106 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923687 527464878 /nfs/dbraw/zinc/46/48/78/527464878.db2.gz OSAFPNKLKFZYMM-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769312 527754182 /nfs/dbraw/zinc/75/41/82/527754182.db2.gz RFWGMMXXDBMWKP-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769312 527754184 /nfs/dbraw/zinc/75/41/84/527754184.db2.gz RFWGMMXXDBMWKP-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769312 527754188 /nfs/dbraw/zinc/75/41/88/527754188.db2.gz RFWGMMXXDBMWKP-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310909984 619098948 /nfs/dbraw/zinc/09/89/48/619098948.db2.gz GXUJZRMBQDBNAW-CVEARBPZSA-N 2 1 250.430 3.339 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1csc(C#N)c1 ZINC000896028649 619935191 /nfs/dbraw/zinc/93/51/91/619935191.db2.gz UJECFVIMZLLTPY-UHFFFAOYSA-N 2 1 291.464 3.318 20 30 CGEDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102733 621575424 /nfs/dbraw/zinc/57/54/24/621575424.db2.gz BLMJOESUEKMPCZ-ZEIDCXACSA-N 2 1 295.430 3.367 20 30 CGEDMP N#CC1CCC(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000903463661 621753591 /nfs/dbraw/zinc/75/35/91/621753591.db2.gz IIZJMACVWRSGDL-HTWSVDAQSA-N 2 1 289.467 3.028 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000921518506 625629292 /nfs/dbraw/zinc/62/92/92/625629292.db2.gz LJMLFNHNQRLVIJ-UHFFFAOYSA-N 2 1 299.462 3.385 20 30 CGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929791587 623648269 /nfs/dbraw/zinc/64/82/69/623648269.db2.gz UBKDRMBMYPUGDF-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000793539718 629479573 /nfs/dbraw/zinc/47/95/73/629479573.db2.gz GVLIPTFZXSCDPA-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000815652012 631813832 /nfs/dbraw/zinc/81/38/32/631813832.db2.gz LNZFUAFCVPKFFQ-RDJZCZTQSA-N 2 1 270.420 3.088 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000815652012 631813837 /nfs/dbraw/zinc/81/38/37/631813837.db2.gz LNZFUAFCVPKFFQ-RDJZCZTQSA-N 2 1 270.420 3.088 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000817977669 632268455 /nfs/dbraw/zinc/26/84/55/632268455.db2.gz NPXQAKQFROLCHU-XQQFMLRXSA-N 2 1 282.815 3.204 20 30 CGEDMP C=CCC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256668 635958640 /nfs/dbraw/zinc/95/86/40/635958640.db2.gz LYKHMQFZJROAOX-KRWDZBQOSA-N 2 1 294.483 3.044 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880255771 635958655 /nfs/dbraw/zinc/95/86/55/635958655.db2.gz XSVJAIXZUVDMKT-IRXDYDNUSA-N 2 1 289.467 3.409 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000876771806 634896714 /nfs/dbraw/zinc/89/67/14/634896714.db2.gz ZHOPZTWTPHAWSV-KRWDZBQOSA-N 2 1 264.457 3.234 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848345 638956926 /nfs/dbraw/zinc/95/69/26/638956926.db2.gz QYYFJZVXULXCBR-MJGOQNOKSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848345 638956928 /nfs/dbraw/zinc/95/69/28/638956928.db2.gz QYYFJZVXULXCBR-MJGOQNOKSA-N 2 1 297.446 3.091 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000929848345 638956930 /nfs/dbraw/zinc/95/69/30/638956930.db2.gz QYYFJZVXULXCBR-MJGOQNOKSA-N 2 1 297.446 3.091 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254526395 806442017 /nfs/dbraw/zinc/44/20/17/806442017.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCC[NH+](C)CC1 ZINC001254526395 806442024 /nfs/dbraw/zinc/44/20/24/806442024.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCC[NH+](C)CC1 ZINC001254526395 806442027 /nfs/dbraw/zinc/44/20/27/806442027.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#C[C@@](C)(CC)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393807 806633139 /nfs/dbraw/zinc/63/31/39/806633139.db2.gz RKDJKZWTBUNUFK-OALUTQOASA-N 2 1 284.447 3.433 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000328209838 799250261 /nfs/dbraw/zinc/25/02/61/799250261.db2.gz WBAOLGCNBPQYFY-QGZVFWFLSA-N 2 1 286.463 3.288 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000328209838 799250264 /nfs/dbraw/zinc/25/02/64/799250264.db2.gz WBAOLGCNBPQYFY-QGZVFWFLSA-N 2 1 286.463 3.288 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549263 803965452 /nfs/dbraw/zinc/96/54/52/803965452.db2.gz UEUKWAXNJLMKRI-MRXNPFEDSA-N 2 1 279.387 3.026 20 30 CGEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138549263 803965454 /nfs/dbraw/zinc/96/54/54/803965454.db2.gz UEUKWAXNJLMKRI-MRXNPFEDSA-N 2 1 279.387 3.026 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034131 804102334 /nfs/dbraw/zinc/10/23/34/804102334.db2.gz MPIRBFPUGXEMBA-IRXDYDNUSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])COC ZINC001246240083 804232537 /nfs/dbraw/zinc/23/25/37/804232537.db2.gz MDGAGSFNSIHGQH-JKSUJKDBSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246412779 804326937 /nfs/dbraw/zinc/32/69/37/804326937.db2.gz NJBVBZIKGPMEEE-HUUCEWRRSA-N 2 1 270.461 3.092 20 30 CGEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246543040 804389908 /nfs/dbraw/zinc/38/99/08/804389908.db2.gz RMUYSWHWEYUBDY-VIQWUECVSA-N 2 1 297.446 3.204 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@](C)([NH3+])CC3)C[C@H](C1)C2 ZINC001246547991 804398071 /nfs/dbraw/zinc/39/80/71/804398071.db2.gz DUHPEJYFMFXZDB-WFVVYAPDSA-N 2 1 262.441 3.325 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246562633 804411797 /nfs/dbraw/zinc/41/17/97/804411797.db2.gz YZDZIJOKYQDDCT-MBOZISHXSA-N 2 1 284.394 3.037 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](C[NH3+])[C@@H]3C)C[C@H](C1)C2 ZINC001246568146 804414849 /nfs/dbraw/zinc/41/48/49/804414849.db2.gz ZQZPKOCSVQNEPI-CLYSKQOPSA-N 2 1 262.441 3.181 20 30 CGEDMP CCCCCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246585081 804427542 /nfs/dbraw/zinc/42/75/42/804427542.db2.gz MWPSTGXPMPGUJN-YESZJQIVSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653319 804478575 /nfs/dbraw/zinc/47/85/75/804478575.db2.gz SFCKQMOUJIADLI-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653319 804478579 /nfs/dbraw/zinc/47/85/79/804478579.db2.gz SFCKQMOUJIADLI-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001246676638 804491736 /nfs/dbraw/zinc/49/17/36/804491736.db2.gz CWLRREAZIOZCHN-XHSDSOJGSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676636 804491937 /nfs/dbraw/zinc/49/19/37/804491937.db2.gz CWLRREAZIOZCHN-HRCADAONSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)C[C@H](C1)C2 ZINC001246697166 804498598 /nfs/dbraw/zinc/49/85/98/804498598.db2.gz WEPQFDNNGFWIHR-VQTPCSAVSA-N 2 1 292.442 3.145 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)C[C@H](C1)C2 ZINC001246697162 804499746 /nfs/dbraw/zinc/49/97/46/804499746.db2.gz WEPQFDNNGFWIHR-MPBYHJMHSA-N 2 1 292.442 3.145 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246818164 804532983 /nfs/dbraw/zinc/53/29/83/804532983.db2.gz XFJRTNARNIQSQY-PKOBYXMFSA-N 2 1 294.442 3.284 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246818164 804532988 /nfs/dbraw/zinc/53/29/88/804532988.db2.gz XFJRTNARNIQSQY-PKOBYXMFSA-N 2 1 294.442 3.284 20 30 CGEDMP C=C(C)C[N@H+](CC)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246852170 804561539 /nfs/dbraw/zinc/56/15/39/804561539.db2.gz NPGYNSONMFQIHI-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258047079 807273803 /nfs/dbraw/zinc/27/38/03/807273803.db2.gz GSORDIYSBXTENL-OKZBNKHCSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001258047079 807273807 /nfs/dbraw/zinc/27/38/07/807273807.db2.gz GSORDIYSBXTENL-OKZBNKHCSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@H](C)[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001258047079 807273810 /nfs/dbraw/zinc/27/38/10/807273810.db2.gz GSORDIYSBXTENL-OKZBNKHCSA-N 2 1 296.499 3.388 20 30 CGEDMP CCCCCCC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001258047079 807273815 /nfs/dbraw/zinc/27/38/15/807273815.db2.gz GSORDIYSBXTENL-OKZBNKHCSA-N 2 1 296.499 3.388 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001258727602 807574861 /nfs/dbraw/zinc/57/48/61/807574861.db2.gz IDIPIKXAEVMQBC-QZTJIDSGSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001258727602 807574865 /nfs/dbraw/zinc/57/48/65/807574865.db2.gz IDIPIKXAEVMQBC-QZTJIDSGSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727602 807574869 /nfs/dbraw/zinc/57/48/69/807574869.db2.gz IDIPIKXAEVMQBC-QZTJIDSGSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727602 807574874 /nfs/dbraw/zinc/57/48/74/807574874.db2.gz IDIPIKXAEVMQBC-QZTJIDSGSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001258729014 807576742 /nfs/dbraw/zinc/57/67/42/807576742.db2.gz SBGZZVJAFRVRBW-ARFHVFGLSA-N 2 1 290.476 3.466 20 30 CGEDMP SCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061926 808169199 /nfs/dbraw/zinc/16/91/99/808169199.db2.gz JYYKKXWCGLHONG-OSYLJGHBSA-N 2 1 290.476 3.092 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172108688 808176446 /nfs/dbraw/zinc/17/64/46/808176446.db2.gz YBTOADAJUIGSLS-XDKFSHSGSA-N 2 1 283.419 3.224 20 30 CGEDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172108688 808176449 /nfs/dbraw/zinc/17/64/49/808176449.db2.gz YBTOADAJUIGSLS-XDKFSHSGSA-N 2 1 283.419 3.224 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172311173 808223030 /nfs/dbraw/zinc/22/30/30/808223030.db2.gz QGBSGKOPJMMUSI-HNNXBMFYSA-N 2 1 297.446 3.048 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172311173 808223034 /nfs/dbraw/zinc/22/30/34/808223034.db2.gz QGBSGKOPJMMUSI-HNNXBMFYSA-N 2 1 297.446 3.048 20 30 CGEDMP Cc1cccc(N([C@H](C)CCCC#N)C2CC[NH2+]CC2)[nH+]1 ZINC001172510135 808366809 /nfs/dbraw/zinc/36/68/09/808366809.db2.gz WADILAKHBMLEJZ-OAHLLOKOSA-N 2 1 286.423 3.031 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203904083 812488491 /nfs/dbraw/zinc/48/84/91/812488491.db2.gz VEHYJWZPIHLTGV-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204748709 812725009 /nfs/dbraw/zinc/72/50/09/812725009.db2.gz QIHMGYBEUHUPMO-UHFFFAOYSA-N 2 1 297.446 3.086 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205266956 812923338 /nfs/dbraw/zinc/92/33/38/812923338.db2.gz YUGWXITWVZZGJE-SFHVURJKSA-N 2 1 288.435 3.345 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206022860 813169024 /nfs/dbraw/zinc/16/90/24/813169024.db2.gz DELQCMRJQPOOBW-WFASDCNBSA-N 2 1 291.826 3.018 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1C#N ZINC001206326171 813289941 /nfs/dbraw/zinc/28/99/41/813289941.db2.gz KVVNYVRNLDVXJI-GOSISDBHSA-N 2 1 285.435 3.072 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181680 816368892 /nfs/dbraw/zinc/36/88/92/816368892.db2.gz UIQHRZINCLOVFR-CMDGGOBGSA-N 2 1 294.483 3.358 20 30 CGEDMP CCCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235002561 818975154 /nfs/dbraw/zinc/97/51/54/818975154.db2.gz RVOIHZXAPMVRLJ-MSOLQXFVSA-N 2 1 296.499 3.031 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007554 818978393 /nfs/dbraw/zinc/97/83/93/818978393.db2.gz OVRBRSMQIZGUOQ-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007554 818978398 /nfs/dbraw/zinc/97/83/98/818978398.db2.gz OVRBRSMQIZGUOQ-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951902 819240980 /nfs/dbraw/zinc/24/09/80/819240980.db2.gz UYFUCIFAPQDLGV-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235951902 819240989 /nfs/dbraw/zinc/24/09/89/819240989.db2.gz UYFUCIFAPQDLGV-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](CCC)C1CC[NH2+]CC1 ZINC001236181798 819359557 /nfs/dbraw/zinc/35/95/57/819359557.db2.gz GEOCQWAVIIRVBS-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=CC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046102 937512691 /nfs/dbraw/zinc/51/26/91/937512691.db2.gz KJUPEIGHSAOXDJ-RYQLBKOJSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001460046102 937512692 /nfs/dbraw/zinc/51/26/92/937512692.db2.gz KJUPEIGHSAOXDJ-RYQLBKOJSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046102 937512694 /nfs/dbraw/zinc/51/26/94/937512694.db2.gz KJUPEIGHSAOXDJ-RYQLBKOJSA-N 2 1 270.420 3.015 20 30 CGEDMP C=CC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001460046102 937512696 /nfs/dbraw/zinc/51/26/96/937512696.db2.gz KJUPEIGHSAOXDJ-RYQLBKOJSA-N 2 1 270.420 3.015 20 30 CGEDMP N#CC1(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CCCCC1 ZINC001580039038 962686319 /nfs/dbraw/zinc/68/63/19/962686319.db2.gz YITQRQLWILBMPC-IRXDYDNUSA-N 2 1 289.467 3.315 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000651830082 398295360 /nfs/dbraw/zinc/29/53/60/398295360.db2.gz ZQWHJMAHMRUQJQ-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000561983385 346659669 /nfs/dbraw/zinc/65/96/69/346659669.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000561983385 346659670 /nfs/dbraw/zinc/65/96/70/346659670.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000561983385 346659672 /nfs/dbraw/zinc/65/96/72/346659672.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000561983385 346659673 /nfs/dbraw/zinc/65/96/73/346659673.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 2 1 288.435 3.023 20 30 CGEDMP CC[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057323 347272806 /nfs/dbraw/zinc/27/28/06/347272806.db2.gz XBAVYUVINYHXAM-SJORKVTESA-N 2 1 285.435 3.472 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982837 347703868 /nfs/dbraw/zinc/70/38/68/347703868.db2.gz QDIUJRKJEKGTEZ-SJLPKXTDSA-N 2 1 297.446 3.398 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071995 347714690 /nfs/dbraw/zinc/71/46/90/347714690.db2.gz WBBZOIPBZCJGNO-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602468417 347963078 /nfs/dbraw/zinc/96/30/78/347963078.db2.gz NSIDBUZXWCRQGZ-HKUYNNGSSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602468417 347963079 /nfs/dbraw/zinc/96/30/79/347963079.db2.gz NSIDBUZXWCRQGZ-HKUYNNGSSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602468417 347963081 /nfs/dbraw/zinc/96/30/81/347963081.db2.gz NSIDBUZXWCRQGZ-HKUYNNGSSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000602513794 347973770 /nfs/dbraw/zinc/97/37/70/347973770.db2.gz IWNGVOSGJHLXIH-GDBMZVCRSA-N 2 1 265.445 3.026 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602575269 347985518 /nfs/dbraw/zinc/98/55/18/347985518.db2.gz QVWQLZMPVYQVOP-CGZBRXJRSA-N 2 1 277.456 3.026 20 30 CGEDMP C=CC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703016 350199920 /nfs/dbraw/zinc/19/99/20/350199920.db2.gz PRAKPMYYUMBZJZ-PJHKVULZSA-N 2 1 274.452 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000152965307 188056391 /nfs/dbraw/zinc/05/63/91/188056391.db2.gz GKRILOFMKIQFIR-ZDUSSCGKSA-N 2 1 264.438 3.439 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265729 236014111 /nfs/dbraw/zinc/01/41/11/236014111.db2.gz RGJIRTHPURBNII-ROUUACIJSA-N 2 1 283.419 3.043 20 30 CGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423016332 371916707 /nfs/dbraw/zinc/91/67/07/371916707.db2.gz MGAMSFZVWDSAKL-MOPGFXCFSA-N 2 1 291.398 3.195 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689021 372375381 /nfs/dbraw/zinc/37/53/81/372375381.db2.gz CVBLFZUHYMPSCW-FGTMMUONSA-N 2 1 289.467 3.267 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000439093181 372974959 /nfs/dbraw/zinc/97/49/59/372974959.db2.gz ZTFILSKGCKNSPU-DLBZAZTESA-N 2 1 264.457 3.441 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172577530 372989454 /nfs/dbraw/zinc/98/94/54/372989454.db2.gz JIFSTUFIUFQWBT-SFHVURJKSA-N 2 1 283.419 3.009 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000172577530 372989457 /nfs/dbraw/zinc/98/94/57/372989457.db2.gz JIFSTUFIUFQWBT-SFHVURJKSA-N 2 1 283.419 3.009 20 30 CGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442794391 373085093 /nfs/dbraw/zinc/08/50/93/373085093.db2.gz SZFXMTMPEZNQFX-GJYPPUQNSA-N 2 1 297.446 3.494 20 30 CGEDMP CC(C)[NH+](CCC[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000173571361 373160400 /nfs/dbraw/zinc/16/04/00/373160400.db2.gz YMTYSBJOEPSBLL-UHFFFAOYSA-N 2 1 273.424 3.157 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531266 373445778 /nfs/dbraw/zinc/44/57/78/373445778.db2.gz QNUSASIMSBUDSK-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000449104363 373661767 /nfs/dbraw/zinc/66/17/67/373661767.db2.gz FHBJOPLRCUCTIM-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000336482161 375798179 /nfs/dbraw/zinc/79/81/79/375798179.db2.gz HUHSRDLRZGIYLX-HOCLYGCPSA-N 2 1 298.434 3.091 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000535811484 376063968 /nfs/dbraw/zinc/06/39/68/376063968.db2.gz SCVPFTNVEACRFK-UHFFFAOYSA-N 2 1 291.464 3.172 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248921162 377428979 /nfs/dbraw/zinc/42/89/79/377428979.db2.gz WRHGDBDJPWCFNW-BBWFWOEESA-N 2 1 277.456 3.026 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089579 377461096 /nfs/dbraw/zinc/46/10/96/377461096.db2.gz CTOZZHCFGUCHFU-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089579 377461105 /nfs/dbraw/zinc/46/11/05/377461105.db2.gz CTOZZHCFGUCHFU-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089579 377461111 /nfs/dbraw/zinc/46/11/11/377461111.db2.gz CTOZZHCFGUCHFU-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089579 377461119 /nfs/dbraw/zinc/46/11/19/377461119.db2.gz CTOZZHCFGUCHFU-WBVHZDCISA-N 2 1 285.435 3.283 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCC#N)C2)s1 ZINC000568566633 377520294 /nfs/dbraw/zinc/52/02/94/377520294.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCC#N)C2)s1 ZINC000568566633 377520296 /nfs/dbraw/zinc/52/02/96/377520296.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCC#N)C2)s1 ZINC000568566633 377520298 /nfs/dbraw/zinc/52/02/98/377520298.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCC#N)C2)s1 ZINC000568566633 377520301 /nfs/dbraw/zinc/52/03/01/377520301.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 2 1 291.464 3.114 20 30 CGEDMP N#CCc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000343536303 378010935 /nfs/dbraw/zinc/01/09/35/378010935.db2.gz SAYIINRMDIEPGM-IBGZPJMESA-N 2 1 297.446 3.203 20 30 CGEDMP N#CCc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000343536303 378010940 /nfs/dbraw/zinc/01/09/40/378010940.db2.gz SAYIINRMDIEPGM-IBGZPJMESA-N 2 1 297.446 3.203 20 30 CGEDMP C#CCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000271080556 378449137 /nfs/dbraw/zinc/44/91/37/378449137.db2.gz YIWPPFPMZZSBDX-UHFFFAOYSA-N 2 1 284.447 3.244 20 30 CGEDMP C#CCCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271325993 378489389 /nfs/dbraw/zinc/48/93/89/378489389.db2.gz KYRQKEMQFJTZJG-UHFFFAOYSA-N 2 1 285.435 3.033 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](OC)C2CCCCC2)CC1 ZINC000638525625 378827558 /nfs/dbraw/zinc/82/75/58/378827558.db2.gz ZPGPFXFMBBTBAJ-SFHVURJKSA-N 2 1 294.483 3.212 20 30 CGEDMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278281339 379335545 /nfs/dbraw/zinc/33/55/45/379335545.db2.gz PXOOTZZFUXWEMR-KRWDZBQOSA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414163950 380196234 /nfs/dbraw/zinc/19/62/34/380196234.db2.gz JNZXJARGHLVSMA-SJLPKXTDSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455750 381752374 /nfs/dbraw/zinc/75/23/74/381752374.db2.gz FNLADNZTVXTSAH-OQIJWPOYSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000361455750 381752380 /nfs/dbraw/zinc/75/23/80/381752380.db2.gz FNLADNZTVXTSAH-OQIJWPOYSA-N 2 1 297.446 3.321 20 30 CGEDMP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282489657 392292378 /nfs/dbraw/zinc/29/23/78/392292378.db2.gz MJQNSQVSJFMTEA-MRXNPFEDSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282489657 392292383 /nfs/dbraw/zinc/29/23/83/392292383.db2.gz MJQNSQVSJFMTEA-MRXNPFEDSA-N 2 1 258.409 3.063 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353269423 393218194 /nfs/dbraw/zinc/21/81/94/393218194.db2.gz TVQIXAYUIOKGCE-IBGZPJMESA-N 2 1 297.446 3.256 20 30 CGEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000351717361 393194819 /nfs/dbraw/zinc/19/48/19/393194819.db2.gz DJAKHHYYJYBHNE-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP Cc1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474143 393526436 /nfs/dbraw/zinc/52/64/36/393526436.db2.gz ZAIFUUFIWGEYGO-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474143 393526441 /nfs/dbraw/zinc/52/64/41/393526441.db2.gz ZAIFUUFIWGEYGO-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474143 393526445 /nfs/dbraw/zinc/52/64/45/393526445.db2.gz ZAIFUUFIWGEYGO-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1C#N ZINC000488474143 393526450 /nfs/dbraw/zinc/52/64/50/393526450.db2.gz ZAIFUUFIWGEYGO-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1C#N ZINC000488474143 393526454 /nfs/dbraw/zinc/52/64/54/393526454.db2.gz ZAIFUUFIWGEYGO-SFHVURJKSA-N 2 1 297.446 3.030 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659595 393573334 /nfs/dbraw/zinc/57/33/34/393573334.db2.gz ZAHSTNSQRKFZIZ-LJHODMEESA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659595 393573338 /nfs/dbraw/zinc/57/33/38/393573338.db2.gz ZAHSTNSQRKFZIZ-LJHODMEESA-N 2 1 297.446 3.398 20 30 CGEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839021 393595667 /nfs/dbraw/zinc/59/56/67/393595667.db2.gz WAFWRFIPPJZXFG-VQIMIIECSA-N 2 1 297.446 3.257 20 30 CGEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1Cl ZINC000656788444 419220102 /nfs/dbraw/zinc/22/01/02/419220102.db2.gz PLJHAWQONHHJEF-UHFFFAOYSA-N 2 1 294.826 3.266 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000657824735 419371515 /nfs/dbraw/zinc/37/15/15/419371515.db2.gz KMRCTYKEKRZLQI-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000657844212 419386115 /nfs/dbraw/zinc/38/61/15/419386115.db2.gz HNXVDJBCYLTRDC-BRWVUGGUSA-N 2 1 264.457 3.443 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000657992376 419480886 /nfs/dbraw/zinc/48/08/86/419480886.db2.gz ISVPMLILYMJNPY-KURKYZTESA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000657992376 419480892 /nfs/dbraw/zinc/48/08/92/419480892.db2.gz ISVPMLILYMJNPY-KURKYZTESA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029966 419505673 /nfs/dbraw/zinc/50/56/73/419505673.db2.gz UFAFCMSQRWRXSF-ZCRFILTFSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658114933 419587497 /nfs/dbraw/zinc/58/74/97/419587497.db2.gz SKTDYOFJMSABFP-CEXWTWQISA-N 2 1 284.447 3.453 20 30 CGEDMP C=CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071275377 260161068 /nfs/dbraw/zinc/16/10/68/260161068.db2.gz PMBSVJJBQJEQQF-UHFFFAOYSA-N 2 1 258.409 3.207 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000174256270 261564396 /nfs/dbraw/zinc/56/43/96/261564396.db2.gz UVDQKDUUGBJECP-UHFFFAOYSA-N 2 1 299.462 3.354 20 30 CGEDMP CC(C)(CCC#N)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000174256270 261564397 /nfs/dbraw/zinc/56/43/97/261564397.db2.gz UVDQKDUUGBJECP-UHFFFAOYSA-N 2 1 299.462 3.354 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000336806215 262395655 /nfs/dbraw/zinc/39/56/55/262395655.db2.gz LGKYUELFGUKIFX-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000336806215 262395656 /nfs/dbraw/zinc/39/56/56/262395656.db2.gz LGKYUELFGUKIFX-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@@H]([N@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806215 262395657 /nfs/dbraw/zinc/39/56/57/262395657.db2.gz LGKYUELFGUKIFX-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806215 262395658 /nfs/dbraw/zinc/39/56/58/262395658.db2.gz LGKYUELFGUKIFX-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CC1 ZINC000120352132 263284183 /nfs/dbraw/zinc/28/41/83/263284183.db2.gz CKHDBZRDSMSMFF-KRWDZBQOSA-N 2 1 296.418 3.410 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2O)CC1 ZINC000185210909 265003766 /nfs/dbraw/zinc/00/37/66/265003766.db2.gz JOSJSBQILWLLFU-QGZVFWFLSA-N 2 1 288.435 3.473 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564895 267186047 /nfs/dbraw/zinc/18/60/47/267186047.db2.gz XGUSFFSTHXGMKV-XHSDSOJGSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000527922800 330295981 /nfs/dbraw/zinc/29/59/81/330295981.db2.gz AXPMZZWHAAHRQB-IAGOWNOFSA-N 2 1 296.499 3.315 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)C1CC1 ZINC000120097003 330384515 /nfs/dbraw/zinc/38/45/15/330384515.db2.gz UNMWLRYXSFDDSK-CVEARBPZSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189115750 333181272 /nfs/dbraw/zinc/18/12/72/333181272.db2.gz DTRRVYKQTAPICJ-INIZCTEOSA-N 2 1 262.441 3.339 20 30 CGEDMP C[C@@H]1CCC[C@@](C[NH2+]CC(C)(C)CCC#N)([NH+](C)C)C1 ZINC000135160641 334118449 /nfs/dbraw/zinc/11/84/49/334118449.db2.gz AMLMKSFHAWYSTF-NVXWUHKLSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894313 334321208 /nfs/dbraw/zinc/32/12/08/334321208.db2.gz SYRBQSILSUSYCC-YYIAUSFCSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000892881246 618947645 /nfs/dbraw/zinc/94/76/45/618947645.db2.gz SULTTZFJTUXBME-KRWDZBQOSA-N 2 1 284.447 3.347 20 30 CGEDMP C[N@H+]1C[C@@]2(C)CN(CCC3(C#N)CCCCC3)C[C@@]2(C)C1 ZINC000931317565 619143403 /nfs/dbraw/zinc/14/34/03/619143403.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[N@@H+]1C[C@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143408 /nfs/dbraw/zinc/14/34/08/619143408.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[N@H+]1C[C@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143410 /nfs/dbraw/zinc/14/34/10/619143410.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]2(C)C[N@H+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143411 /nfs/dbraw/zinc/14/34/11/619143411.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143413 /nfs/dbraw/zinc/14/34/13/619143413.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000924988432 619477831 /nfs/dbraw/zinc/47/78/31/619477831.db2.gz RTULEOCMPXVMTG-FOLVSLTJSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2NCC)CC1 ZINC000902212439 621186196 /nfs/dbraw/zinc/18/61/96/621186196.db2.gz FBJGQKDLAKPGMN-UHFFFAOYSA-N 2 1 287.451 3.249 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753584 621425464 /nfs/dbraw/zinc/42/54/64/621425464.db2.gz QLICAXSXARVVTG-KURKYZTESA-N 2 1 283.419 3.226 20 30 CGEDMP C=CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903132423 621592642 /nfs/dbraw/zinc/59/26/42/621592642.db2.gz QMABEGUIDCXLCN-YTTRVJOFSA-N 2 1 262.441 3.479 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788476459 629057702 /nfs/dbraw/zinc/05/77/02/629057702.db2.gz PIAQUJFVYKLARL-UHFFFAOYSA-N 2 1 272.436 3.059 20 30 CGEDMP CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796856941 629849019 /nfs/dbraw/zinc/84/90/19/629849019.db2.gz OMSSDWKKDHMKCA-BZUAXINKSA-N 2 1 252.446 3.419 20 30 CGEDMP C#CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878285576 635445767 /nfs/dbraw/zinc/44/57/67/635445767.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285576 635445775 /nfs/dbraw/zinc/44/57/75/635445775.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878285576 635445783 /nfs/dbraw/zinc/44/57/83/635445783.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000815651908 631814003 /nfs/dbraw/zinc/81/40/03/631814003.db2.gz IOCKIYYTILFGGQ-ZWKOTPCHSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000815651908 631814008 /nfs/dbraw/zinc/81/40/08/631814008.db2.gz IOCKIYYTILFGGQ-ZWKOTPCHSA-N 2 1 284.447 3.113 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000817964692 632260071 /nfs/dbraw/zinc/26/00/71/632260071.db2.gz FFUDZXPEGKKNJU-MLGOLLRUSA-N 2 1 294.826 3.206 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850905 633158525 /nfs/dbraw/zinc/15/85/25/633158525.db2.gz GCLZBRJPDWRYCN-AEFFLSMTSA-N 2 1 294.483 3.354 20 30 CGEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516496 806435949 /nfs/dbraw/zinc/43/59/49/806435949.db2.gz NEMNXGKWUOWWLC-GOSISDBHSA-N 2 1 297.446 3.028 20 30 CGEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001254522650 806439050 /nfs/dbraw/zinc/43/90/50/806439050.db2.gz IBNZJFVRXVCTEJ-LJQANCHMSA-N 2 1 297.446 3.222 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254658745 806478608 /nfs/dbraw/zinc/47/86/08/806478608.db2.gz XJCPMCACOIOWNB-BRSBDYLESA-N 2 1 289.467 3.441 20 30 CGEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680342 806704201 /nfs/dbraw/zinc/70/42/01/806704201.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680342 806704205 /nfs/dbraw/zinc/70/42/05/806704205.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1ccc(C#N)cc1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680342 806704206 /nfs/dbraw/zinc/70/42/06/806704206.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 2 1 283.419 3.005 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000328099260 799249994 /nfs/dbraw/zinc/24/99/94/799249994.db2.gz KPSXWIWVMYJLEM-GFCCVEGCSA-N 2 1 282.790 3.085 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000380845653 799368047 /nfs/dbraw/zinc/36/80/47/799368047.db2.gz QTBNBZRCHIUNDB-AWEZNQCLSA-N 2 1 276.449 3.014 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000380845653 799368053 /nfs/dbraw/zinc/36/80/53/799368053.db2.gz QTBNBZRCHIUNDB-AWEZNQCLSA-N 2 1 276.449 3.014 20 30 CGEDMP C#CCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381781542 799386869 /nfs/dbraw/zinc/38/68/69/799386869.db2.gz FDMBFFKOIMUCDB-UHFFFAOYSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000392757180 799482267 /nfs/dbraw/zinc/48/22/67/799482267.db2.gz IPDISYISHOHCJL-INIZCTEOSA-N 2 1 278.827 3.336 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000392757180 799482269 /nfs/dbraw/zinc/48/22/69/799482269.db2.gz IPDISYISHOHCJL-INIZCTEOSA-N 2 1 278.827 3.336 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026379 806807146 /nfs/dbraw/zinc/80/71/46/806807146.db2.gz SKGKJAVWLNNRFA-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP C#CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714970254 800129612 /nfs/dbraw/zinc/12/96/12/800129612.db2.gz WOKWWJZDJRKCII-WOJBJXKFSA-N 2 1 296.458 3.386 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026377 806807497 /nfs/dbraw/zinc/80/74/97/806807497.db2.gz SKGKJAVWLNNRFA-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP C[NH+](C)CC1(C[N@@H+]2CCc3cc(C#N)ccc3C2)CCCC1 ZINC001208185036 813735909 /nfs/dbraw/zinc/73/59/09/813735909.db2.gz UGDKWCYZZMTNFN-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP C[NH+](C)CC1(C[N@H+]2CCc3cc(C#N)ccc3C2)CCCC1 ZINC001208185036 813735914 /nfs/dbraw/zinc/73/59/14/813735914.db2.gz UGDKWCYZZMTNFN-UHFFFAOYSA-N 2 1 297.446 3.038 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246010321 804097048 /nfs/dbraw/zinc/09/70/48/804097048.db2.gz LLLNLCAFMGVSEC-GJZGRUSLSA-N 2 1 272.477 3.061 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@]1(CC)CCC[NH2+]1 ZINC001246017651 804099512 /nfs/dbraw/zinc/09/95/12/804099512.db2.gz KCZZTOTXNIWBCV-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246018285 804100013 /nfs/dbraw/zinc/10/00/13/804100013.db2.gz DIZHZOWBVDGWGT-BZSNNMDCSA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001246024481 804101150 /nfs/dbraw/zinc/10/11/50/804101150.db2.gz VVFHGHRDCPHEFK-BBWFWOEESA-N 2 1 284.488 3.015 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246034087 804102767 /nfs/dbraw/zinc/10/27/67/804102767.db2.gz PSMIYPWWZJAUGF-SQNIBIBYSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246034087 804102772 /nfs/dbraw/zinc/10/27/72/804102772.db2.gz PSMIYPWWZJAUGF-SQNIBIBYSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001246062578 804105039 /nfs/dbraw/zinc/10/50/39/804105039.db2.gz MNWMUXMMEHETFX-DLBZAZTESA-N 2 1 284.488 3.029 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246327543 804283664 /nfs/dbraw/zinc/28/36/64/804283664.db2.gz OICZWAIQKPOEEF-QKPAOTATSA-N 2 1 288.435 3.431 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246467164 804345441 /nfs/dbraw/zinc/34/54/41/804345441.db2.gz SRBCMVRHPZZNIU-BBWFWOEESA-N 2 1 284.488 3.482 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246490639 804356947 /nfs/dbraw/zinc/35/69/47/804356947.db2.gz FLWCOMBVFUMLTE-IAGOWNOFSA-N 2 1 283.504 3.057 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001246493419 804359027 /nfs/dbraw/zinc/35/90/27/804359027.db2.gz AVOSOBXHFHAXQE-HNNXBMFYSA-N 2 1 287.451 3.377 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)C[C@H](C1)C2 ZINC001246561991 804410049 /nfs/dbraw/zinc/41/00/49/804410049.db2.gz VGCXEFDDQGUXAC-IHAUNJBESA-N 2 1 276.468 3.428 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628738 804459078 /nfs/dbraw/zinc/45/90/78/804459078.db2.gz DBUMHTSUNLQNLV-GVDBMIGSSA-N 2 1 282.472 3.046 20 30 CGEDMP CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246632122 804462156 /nfs/dbraw/zinc/46/21/56/804462156.db2.gz UVJWPSIUQPZHNP-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246680632 804494577 /nfs/dbraw/zinc/49/45/77/804494577.db2.gz WOHZPIPMCANTKP-CABCVRRESA-N 2 1 252.446 3.277 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246799408 804522006 /nfs/dbraw/zinc/52/20/06/804522006.db2.gz ZDCMARMIRKNDGL-WBVHZDCISA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[NH+](CC=C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246815262 804532384 /nfs/dbraw/zinc/53/23/84/804532384.db2.gz WUDJTRLEYINFSX-ZWKOTPCHSA-N 2 1 270.420 3.024 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246948766 804616232 /nfs/dbraw/zinc/61/62/32/804616232.db2.gz LKBMUTOJGXGMBL-INIZCTEOSA-N 2 1 262.441 3.482 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001247015652 804643456 /nfs/dbraw/zinc/64/34/56/804643456.db2.gz PJUCTRRUASINRA-HNNXBMFYSA-N 2 1 270.420 3.436 20 30 CGEDMP C=CC[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC001256863675 806994094 /nfs/dbraw/zinc/99/40/94/806994094.db2.gz ANJLAOYHLZREKI-UHFFFAOYSA-N 2 1 273.424 3.337 20 30 CGEDMP CC(C)C[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001258018610 807267281 /nfs/dbraw/zinc/26/72/81/807267281.db2.gz QNPGXDXJGBYCER-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001258018610 807267284 /nfs/dbraw/zinc/26/72/84/807267284.db2.gz QNPGXDXJGBYCER-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958961 807286212 /nfs/dbraw/zinc/28/62/12/807286212.db2.gz LBGMOKFIAJGUTF-YQQQUEKLSA-N 2 1 295.430 3.053 20 30 CGEDMP CCCCCCCC[N@@H+](CCN)C1CCC([NH+](C)C)CC1 ZINC001168303740 807376510 /nfs/dbraw/zinc/37/65/10/807376510.db2.gz BCBQTXMMPTUOMW-UHFFFAOYSA-N 2 1 297.531 3.480 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001258715519 807565290 /nfs/dbraw/zinc/56/52/90/807565290.db2.gz HIIBCOWTNRPGPS-INIZCTEOSA-N 2 1 272.477 3.015 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001258715519 807565294 /nfs/dbraw/zinc/56/52/94/807565294.db2.gz HIIBCOWTNRPGPS-INIZCTEOSA-N 2 1 272.477 3.015 20 30 CGEDMP C=CCC[C@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258730710 807578055 /nfs/dbraw/zinc/57/80/55/807578055.db2.gz MIYPUOIKBQDVFT-HNNXBMFYSA-N 2 1 252.446 3.393 20 30 CGEDMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc[nH+]c(CC#N)c1 ZINC001169693091 807689630 /nfs/dbraw/zinc/68/96/30/807689630.db2.gz VZLBSNQQQNWCAQ-KRWDZBQOSA-N 2 1 292.386 3.388 20 30 CGEDMP C#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984685 808164668 /nfs/dbraw/zinc/16/46/68/808164668.db2.gz XOMQEVQGCYMCMJ-KRWDZBQOSA-N 2 1 270.420 3.043 20 30 CGEDMP CC(C)C[N@@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493502 808352945 /nfs/dbraw/zinc/35/29/45/808352945.db2.gz UGBNQDIUBQAJPX-BZUAXINKSA-N 2 1 265.445 3.297 20 30 CGEDMP N#CCCCC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001277949584 809108439 /nfs/dbraw/zinc/10/84/39/809108439.db2.gz YCYRZGRMTMSZHH-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277949584 809108441 /nfs/dbraw/zinc/10/84/41/809108441.db2.gz YCYRZGRMTMSZHH-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277949584 809108445 /nfs/dbraw/zinc/10/84/45/809108445.db2.gz YCYRZGRMTMSZHH-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277949584 809108447 /nfs/dbraw/zinc/10/84/47/809108447.db2.gz YCYRZGRMTMSZHH-UHFFFAOYSA-N 2 1 275.440 3.021 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001201814654 811968137 /nfs/dbraw/zinc/96/81/37/811968137.db2.gz RAAWGYJNQHZFKF-MSOLQXFVSA-N 2 1 295.515 3.057 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205296428 812937347 /nfs/dbraw/zinc/93/73/47/812937347.db2.gz PETIEAWBYLODMP-CVEARBPZSA-N 2 1 252.446 3.430 20 30 CGEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001205692091 813053550 /nfs/dbraw/zinc/05/35/50/813053550.db2.gz CGSNPAWJVKTLHJ-UHFFFAOYSA-N 2 1 299.462 3.483 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001205803349 813084629 /nfs/dbraw/zinc/08/46/29/813084629.db2.gz GKACAWKWWQHQQQ-UAGQMJEPSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])CC1 ZINC001205803349 813084642 /nfs/dbraw/zinc/08/46/42/813084642.db2.gz GKACAWKWWQHQQQ-UAGQMJEPSA-N 2 1 262.441 3.348 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CC1 ZINC001205904926 813128229 /nfs/dbraw/zinc/12/82/29/813128229.db2.gz YPVACVSCGNKNIG-OIISXLGYSA-N 2 1 262.441 3.348 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205981537 813151362 /nfs/dbraw/zinc/15/13/62/813151362.db2.gz DUMORRADCOGVOR-JKSUJKDBSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@@H]1C[NH3+] ZINC001206003205 813160658 /nfs/dbraw/zinc/16/06/58/813160658.db2.gz FUTQBVQDAXYTNY-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012046 813164919 /nfs/dbraw/zinc/16/49/19/813164919.db2.gz IDVYPEABWVYPNV-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156249 813216196 /nfs/dbraw/zinc/21/61/96/813216196.db2.gz PJUSLFTVJOETJR-CABCVRRESA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156249 813216199 /nfs/dbraw/zinc/21/61/99/813216199.db2.gz PJUSLFTVJOETJR-CABCVRRESA-N 2 1 256.409 3.274 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206338322 813293918 /nfs/dbraw/zinc/29/39/18/813293918.db2.gz ZPKYOOBUNUNIFF-SJORKVTESA-N 2 1 280.431 3.442 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)CC1 ZINC001206338322 813293923 /nfs/dbraw/zinc/29/39/23/813293923.db2.gz ZPKYOOBUNUNIFF-SJORKVTESA-N 2 1 280.431 3.442 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186172 819027634 /nfs/dbraw/zinc/02/76/34/819027634.db2.gz FPUTVFPOTLQEFX-SJORKVTESA-N 2 1 264.457 3.444 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425129 819093018 /nfs/dbraw/zinc/09/30/18/819093018.db2.gz IKKOZELRDVSFMT-DLBZAZTESA-N 2 1 297.446 3.078 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235928859 819227920 /nfs/dbraw/zinc/22/79/20/819227920.db2.gz DKWCUKXDSFFWFM-AFYXXPPBSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236068304 819299496 /nfs/dbraw/zinc/29/94/96/819299496.db2.gz XRSQWGBRNOKPFG-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)C2(C)CC[NH2+]CC2)CC1 ZINC001236222413 819388869 /nfs/dbraw/zinc/38/88/69/819388869.db2.gz IDWIJEKKNZISEP-MRXNPFEDSA-N 2 1 262.441 3.363 20 30 CGEDMP C#Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374565 819443185 /nfs/dbraw/zinc/44/31/85/819443185.db2.gz DZWGHQFSVUHDKO-IBGZPJMESA-N 2 1 296.458 3.412 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)C[C@H]2CC[NH2+]C2)CC1 ZINC001236407178 819454992 /nfs/dbraw/zinc/45/49/92/819454992.db2.gz CYESXQFQZQXUKT-DLBZAZTESA-N 2 1 262.441 3.220 20 30 CGEDMP Cc1cc(C)c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c(C)[nH+]1 ZINC001240360652 820992377 /nfs/dbraw/zinc/99/23/77/820992377.db2.gz DNMHATPNTRBEEE-UHFFFAOYSA-N 2 1 277.371 3.232 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC001354711889 937110892 /nfs/dbraw/zinc/11/08/92/937110892.db2.gz UDTZRBOFJREIAM-QGZVFWFLSA-N 2 1 285.435 3.091 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462661839 937657912 /nfs/dbraw/zinc/65/79/12/937657912.db2.gz CCDVLSVZWNDLPK-QKPAOTATSA-N 2 1 250.430 3.051 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132800 937793483 /nfs/dbraw/zinc/79/34/83/937793483.db2.gz LPDWBQIQHNLAGR-ROUUACIJSA-N 2 1 276.468 3.232 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132800 937793484 /nfs/dbraw/zinc/79/34/84/937793484.db2.gz LPDWBQIQHNLAGR-ROUUACIJSA-N 2 1 276.468 3.232 20 30 CGEDMP CCC#C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193119 937796607 /nfs/dbraw/zinc/79/66/07/937796607.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193119 937796609 /nfs/dbraw/zinc/79/66/09/937796609.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473193119 937796610 /nfs/dbraw/zinc/79/66/10/937796610.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193119 937796612 /nfs/dbraw/zinc/79/66/12/937796612.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 2 1 284.447 3.242 20 30 CGEDMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001474587344 937868796 /nfs/dbraw/zinc/86/87/96/937868796.db2.gz SGJIMYAJLYUYKU-UHFFFAOYSA-N 2 1 291.464 3.220 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(=C)C)CC2)C1 ZINC000651700846 398271428 /nfs/dbraw/zinc/27/14/28/398271428.db2.gz WGHHCGJBMNYNHO-DOTOQJQBSA-N 2 1 262.441 3.361 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000651828221 398294948 /nfs/dbraw/zinc/29/49/48/398294948.db2.gz ZGLOUGZQIBHSFJ-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088359 260208720 /nfs/dbraw/zinc/20/87/20/260208720.db2.gz BNXOAMVHMIHQIY-NJINODPHSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088359 260208721 /nfs/dbraw/zinc/20/87/21/260208721.db2.gz BNXOAMVHMIHQIY-NJINODPHSA-N 2 1 277.456 3.169 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000127322301 187296710 /nfs/dbraw/zinc/29/67/10/187296710.db2.gz SWACSYSWEGIMLN-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000127322301 187296712 /nfs/dbraw/zinc/29/67/12/187296712.db2.gz SWACSYSWEGIMLN-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000595870798 347369081 /nfs/dbraw/zinc/36/90/81/347369081.db2.gz FMZXBWZFNLCEAG-UHFFFAOYSA-N 2 1 267.461 3.416 20 30 CGEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000595870798 347369083 /nfs/dbraw/zinc/36/90/83/347369083.db2.gz FMZXBWZFNLCEAG-UHFFFAOYSA-N 2 1 267.461 3.416 20 30 CGEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000595874130 347369464 /nfs/dbraw/zinc/36/94/64/347369464.db2.gz TYCLOWSHLZZDPY-UHFFFAOYSA-N 2 1 253.434 3.026 20 30 CGEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000595874130 347369467 /nfs/dbraw/zinc/36/94/67/347369467.db2.gz TYCLOWSHLZZDPY-UHFFFAOYSA-N 2 1 253.434 3.026 20 30 CGEDMP C[N@H+]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971239 347702385 /nfs/dbraw/zinc/70/23/85/347702385.db2.gz SQGGHBSOBJUFBN-IAGOWNOFSA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971239 347702386 /nfs/dbraw/zinc/70/23/86/347702386.db2.gz SQGGHBSOBJUFBN-IAGOWNOFSA-N 2 1 285.435 3.494 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CC1(C)C ZINC000598971239 347702388 /nfs/dbraw/zinc/70/23/88/347702388.db2.gz SQGGHBSOBJUFBN-IAGOWNOFSA-N 2 1 285.435 3.494 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C#N ZINC000599331083 347735862 /nfs/dbraw/zinc/73/58/62/347735862.db2.gz GHOPNCMFRGTQBH-YJBOKZPZSA-N 2 1 294.402 3.146 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000602517689 347974162 /nfs/dbraw/zinc/97/41/62/347974162.db2.gz DLTQVFIFTIFLNA-OAGGEKHMSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602572748 347985898 /nfs/dbraw/zinc/98/58/98/347985898.db2.gz MAQKKCNPEKTGGW-IAGOWNOFSA-N 2 1 287.451 3.426 20 30 CGEDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783997 348028201 /nfs/dbraw/zinc/02/82/01/348028201.db2.gz GHQUKZMUEFVBMP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(CC#N)CC2)C1 ZINC000602783997 348028205 /nfs/dbraw/zinc/02/82/05/348028205.db2.gz GHQUKZMUEFVBMP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602783997 348028208 /nfs/dbraw/zinc/02/82/08/348028208.db2.gz GHQUKZMUEFVBMP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602783997 348028211 /nfs/dbraw/zinc/02/82/11/348028211.db2.gz GHQUKZMUEFVBMP-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000602646639 348000788 /nfs/dbraw/zinc/00/07/88/348000788.db2.gz RGHMNDMNWJUZGJ-HTWSVDAQSA-N 2 1 289.467 3.455 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618801708 349156153 /nfs/dbraw/zinc/15/61/53/349156153.db2.gz BUONKSKWWRYQKX-GOSISDBHSA-N 2 1 283.419 3.008 20 30 CGEDMP C=CC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625703073 350200047 /nfs/dbraw/zinc/20/00/47/350200047.db2.gz QALVPJBJDFEZNY-IAGOWNOFSA-N 2 1 262.441 3.173 20 30 CGEDMP C=CCC1([NH2+]CCCn2cc[nH+]c2C)CCCCC1 ZINC000625935432 350233163 /nfs/dbraw/zinc/23/31/63/350233163.db2.gz ZVKHPLOBOKZTIM-UHFFFAOYSA-N 2 1 261.413 3.450 20 30 CGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000176992331 189019645 /nfs/dbraw/zinc/01/96/45/189019645.db2.gz DXIODFYZBASTLV-UHFFFAOYSA-N 2 1 289.448 3.116 20 30 CGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000179668069 189211415 /nfs/dbraw/zinc/21/14/15/189211415.db2.gz GMFKPNCOHFIDKV-KGLIPLIRSA-N 2 1 282.391 3.050 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181978804 189311671 /nfs/dbraw/zinc/31/16/71/189311671.db2.gz SSLHZABGTNZCEJ-AWEZNQCLSA-N 2 1 282.391 3.194 20 30 CGEDMP C=CCOc1ccc(CN(C)C2CC[NH+](CC)CC2)cc1 ZINC000125197074 370933241 /nfs/dbraw/zinc/93/32/41/370933241.db2.gz QHODBFHFPFLOGL-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000125197074 370933250 /nfs/dbraw/zinc/93/32/50/370933250.db2.gz QHODBFHFPFLOGL-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000125197074 370933261 /nfs/dbraw/zinc/93/32/61/370933261.db2.gz QHODBFHFPFLOGL-UHFFFAOYSA-N 2 1 288.435 3.168 20 30 CGEDMP CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067024 370093624 /nfs/dbraw/zinc/09/36/24/370093624.db2.gz REZWONOPZNGQEG-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067024 370093629 /nfs/dbraw/zinc/09/36/29/370093629.db2.gz REZWONOPZNGQEG-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092067024 370093634 /nfs/dbraw/zinc/09/36/34/370093634.db2.gz REZWONOPZNGQEG-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092067024 370093639 /nfs/dbraw/zinc/09/36/39/370093639.db2.gz REZWONOPZNGQEG-WBVHZDCISA-N 2 1 289.467 3.265 20 30 CGEDMP CCC[NH+]1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000092166014 370095251 /nfs/dbraw/zinc/09/52/51/370095251.db2.gz HZJQPYPAICNPBI-UHFFFAOYSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000132772431 371200514 /nfs/dbraw/zinc/20/05/14/371200514.db2.gz MNLYZTPKCQAKFM-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249074 371405710 /nfs/dbraw/zinc/40/57/10/371405710.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249074 371405713 /nfs/dbraw/zinc/40/57/13/371405713.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249074 371405717 /nfs/dbraw/zinc/40/57/17/371405717.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249074 371405721 /nfs/dbraw/zinc/40/57/21/371405721.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292926767 372251003 /nfs/dbraw/zinc/25/10/03/372251003.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292926767 372251007 /nfs/dbraw/zinc/25/10/07/372251007.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292926767 372251012 /nfs/dbraw/zinc/25/10/12/372251012.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292926767 372251015 /nfs/dbraw/zinc/25/10/15/372251015.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336539 /nfs/dbraw/zinc/33/65/39/372336539.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 2 1 285.435 3.253 20 30 CGEDMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336543 /nfs/dbraw/zinc/33/65/43/372336543.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 2 1 285.435 3.253 20 30 CGEDMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336551 /nfs/dbraw/zinc/33/65/51/372336551.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 2 1 285.435 3.253 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176849 /nfs/dbraw/zinc/17/68/49/217176849.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176852 /nfs/dbraw/zinc/17/68/52/217176852.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176855 /nfs/dbraw/zinc/17/68/55/217176855.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176856 /nfs/dbraw/zinc/17/68/56/217176856.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023409 372578480 /nfs/dbraw/zinc/57/84/80/372578480.db2.gz PRNXVXSLVZXYQU-MSOLQXFVSA-N 2 1 285.435 3.495 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185384784 374654474 /nfs/dbraw/zinc/65/44/74/374654474.db2.gz AJRJWERNHKBQRY-OAHLLOKOSA-N 2 1 288.435 3.392 20 30 CGEDMP C=CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471010737 375003075 /nfs/dbraw/zinc/00/30/75/375003075.db2.gz WJDWZGOUUDOZFK-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471010737 375003086 /nfs/dbraw/zinc/00/30/86/375003086.db2.gz WJDWZGOUUDOZFK-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471010737 375003091 /nfs/dbraw/zinc/00/30/91/375003091.db2.gz WJDWZGOUUDOZFK-HDICACEKSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCCCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000187694700 375074943 /nfs/dbraw/zinc/07/49/43/375074943.db2.gz MVOXXNAXLVFEKQ-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000187694700 375074951 /nfs/dbraw/zinc/07/49/51/375074951.db2.gz MVOXXNAXLVFEKQ-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000187694700 375074955 /nfs/dbraw/zinc/07/49/55/375074955.db2.gz MVOXXNAXLVFEKQ-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901619 377114821 /nfs/dbraw/zinc/11/48/21/377114821.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246901619 377114832 /nfs/dbraw/zinc/11/48/32/377114832.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246901619 377114841 /nfs/dbraw/zinc/11/48/41/377114841.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901619 377114848 /nfs/dbraw/zinc/11/48/48/377114848.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000255604963 377769764 /nfs/dbraw/zinc/76/97/64/377769764.db2.gz QHASNGSXFLWSDG-ARJAWSKDSA-N 2 1 288.410 3.469 20 30 CGEDMP C=CCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272463017 378643501 /nfs/dbraw/zinc/64/35/01/378643501.db2.gz KOOZFSBOACTWAB-WMZOPIPTSA-N 2 1 272.436 3.453 20 30 CGEDMP C#CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000272949186 378729507 /nfs/dbraw/zinc/72/95/07/378729507.db2.gz NRSUZFDLDVFIAV-SFHVURJKSA-N 2 1 270.420 3.213 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274875540 378911559 /nfs/dbraw/zinc/91/15/59/378911559.db2.gz YGILLXBSPWSRKD-NVXWUHKLSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274875540 378911564 /nfs/dbraw/zinc/91/15/64/378911564.db2.gz YGILLXBSPWSRKD-NVXWUHKLSA-N 2 1 258.409 3.063 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278641887 194081359 /nfs/dbraw/zinc/08/13/59/194081359.db2.gz HOVZMNMHIJJLRH-KDOFPFPSSA-N 2 1 296.418 3.440 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277017956 379045277 /nfs/dbraw/zinc/04/52/77/379045277.db2.gz AECFBZFOTNLVDZ-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277017956 379045280 /nfs/dbraw/zinc/04/52/80/379045280.db2.gz AECFBZFOTNLVDZ-YOEHRIQHSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277017949 379045477 /nfs/dbraw/zinc/04/54/77/379045477.db2.gz AECFBZFOTNLVDZ-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277017949 379045482 /nfs/dbraw/zinc/04/54/82/379045482.db2.gz AECFBZFOTNLVDZ-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP CC(C)[NH+]1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000349818182 379399004 /nfs/dbraw/zinc/39/90/04/379399004.db2.gz HJSWSALBBNYWTF-UHFFFAOYSA-N 2 1 265.445 3.121 20 30 CGEDMP C=C(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352816536 379978382 /nfs/dbraw/zinc/97/83/82/379978382.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816536 379978384 /nfs/dbraw/zinc/97/83/84/379978384.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=C(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352816536 379978389 /nfs/dbraw/zinc/97/83/89/379978389.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 2 1 270.420 3.161 20 30 CGEDMP C=CC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411559605 380152089 /nfs/dbraw/zinc/15/20/89/380152089.db2.gz ADNRWELRXLHOQZ-UHFFFAOYSA-N 2 1 258.409 3.290 20 30 CGEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155976246 392544675 /nfs/dbraw/zinc/54/46/75/392544675.db2.gz QBUVTAICKSLXRU-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155976246 392544684 /nfs/dbraw/zinc/54/46/84/392544684.db2.gz QBUVTAICKSLXRU-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155976246 392544687 /nfs/dbraw/zinc/54/46/87/392544687.db2.gz QBUVTAICKSLXRU-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155976246 392544695 /nfs/dbraw/zinc/54/46/95/392544695.db2.gz QBUVTAICKSLXRU-MJGOQNOKSA-N 2 1 284.447 3.385 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000372690376 392627511 /nfs/dbraw/zinc/62/75/11/392627511.db2.gz DCGKSNCRZUZLOZ-UHFFFAOYSA-N 2 1 292.467 3.108 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000186241413 392780902 /nfs/dbraw/zinc/78/09/02/392780902.db2.gz WPMHETLZAKRCAJ-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000186241413 392780905 /nfs/dbraw/zinc/78/09/05/392780905.db2.gz WPMHETLZAKRCAJ-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000338942727 392936087 /nfs/dbraw/zinc/93/60/87/392936087.db2.gz OAWBMOAEZLAIRN-OKZBNKHCSA-N 2 1 289.467 3.123 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346681983 393092927 /nfs/dbraw/zinc/09/29/27/393092927.db2.gz OUDDIOJCGIXEEW-INIZCTEOSA-N 2 1 276.424 3.057 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346681983 393092933 /nfs/dbraw/zinc/09/29/33/393092933.db2.gz OUDDIOJCGIXEEW-INIZCTEOSA-N 2 1 276.424 3.057 20 30 CGEDMP C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683843519 543948263 /nfs/dbraw/zinc/94/82/63/543948263.db2.gz HEWQFTJTXZDNHV-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000661378491 419255399 /nfs/dbraw/zinc/25/53/99/419255399.db2.gz HOIVLLDTUHMYOD-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661378491 419255400 /nfs/dbraw/zinc/25/54/00/419255400.db2.gz HOIVLLDTUHMYOD-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000661378491 419255402 /nfs/dbraw/zinc/25/54/02/419255402.db2.gz HOIVLLDTUHMYOD-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000661114479 419231515 /nfs/dbraw/zinc/23/15/15/419231515.db2.gz IHLSNPHJEIIGPO-HOCLYGCPSA-N 2 1 261.413 3.077 20 30 CGEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467302 419622397 /nfs/dbraw/zinc/62/23/97/419622397.db2.gz DSRDWGZVIPRVKG-SJORKVTESA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)C[NH+](C)CCC(C)CC[N@@H+](C)CC(=C)C ZINC000411493493 262696578 /nfs/dbraw/zinc/69/65/78/262696578.db2.gz YPYFEHSJAOEQBM-UHFFFAOYSA-N 2 1 252.446 3.419 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000340226090 263097981 /nfs/dbraw/zinc/09/79/81/263097981.db2.gz BLUBYAHLDIDLPC-IAGOWNOFSA-N 2 1 271.408 3.105 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000340226090 263097982 /nfs/dbraw/zinc/09/79/82/263097982.db2.gz BLUBYAHLDIDLPC-IAGOWNOFSA-N 2 1 271.408 3.105 20 30 CGEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340371820 263120468 /nfs/dbraw/zinc/12/04/68/263120468.db2.gz QLCIMNAABWQDHH-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340371820 263120469 /nfs/dbraw/zinc/12/04/69/263120469.db2.gz QLCIMNAABWQDHH-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340371820 263120470 /nfs/dbraw/zinc/12/04/70/263120470.db2.gz QLCIMNAABWQDHH-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340371820 263120471 /nfs/dbraw/zinc/12/04/71/263120471.db2.gz QLCIMNAABWQDHH-KRWDZBQOSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000453390523 263259942 /nfs/dbraw/zinc/25/99/42/263259942.db2.gz YEQCONWUOPMUHJ-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707610 276231592 /nfs/dbraw/zinc/23/15/92/276231592.db2.gz NGQFEDXVEKQCEO-CCKFTAQKSA-N 2 1 297.446 3.256 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000153028260 276862879 /nfs/dbraw/zinc/86/28/79/276862879.db2.gz GIGXSNBEIOQSBE-HNNXBMFYSA-N 2 1 288.435 3.386 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000567088117 322150003 /nfs/dbraw/zinc/15/00/03/322150003.db2.gz YKPLSHOCOLDRBV-IBGZPJMESA-N 2 1 297.446 3.400 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424318598 330339843 /nfs/dbraw/zinc/33/98/43/330339843.db2.gz DAJBXPMWTXSQOB-QXCFHYIPSA-N 2 1 297.446 3.179 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1c1ccccc1 ZINC000453298745 331112854 /nfs/dbraw/zinc/11/28/54/331112854.db2.gz XZCRSFOCJIUUTO-WNHJNPCNSA-N 2 1 297.446 3.494 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1c1ccccc1 ZINC000453298745 331112855 /nfs/dbraw/zinc/11/28/55/331112855.db2.gz XZCRSFOCJIUUTO-WNHJNPCNSA-N 2 1 297.446 3.494 20 30 CGEDMP C[NH+](C)C1(C[NH2+]CC(C)(C)CCC#N)CCCCC1 ZINC000135129602 334117021 /nfs/dbraw/zinc/11/70/21/334117021.db2.gz YSMDSCBAOCDOCX-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000550857466 334230448 /nfs/dbraw/zinc/23/04/48/334230448.db2.gz TYPHFBORXQOQFP-RRFJBIMHSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000551241899 334242601 /nfs/dbraw/zinc/24/26/01/334242601.db2.gz XHMLNSCQRYAPHM-IRXDYDNUSA-N 2 1 296.499 3.315 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381860821 336074639 /nfs/dbraw/zinc/07/46/39/336074639.db2.gz IXJLKGGRBKIEHJ-GBESFXJTSA-N 2 1 284.447 3.453 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925588242 619075567 /nfs/dbraw/zinc/07/55/67/619075567.db2.gz PAOJYZFQATVYAL-HZPDHXFCSA-N 2 1 279.472 3.272 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966816 619093611 /nfs/dbraw/zinc/09/36/11/619093611.db2.gz GXORRYAPTBYTDZ-HOTGVXAUSA-N 2 1 252.446 3.373 20 30 CGEDMP CN1C[C@]2(C)C[N@@H+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316934 619143553 /nfs/dbraw/zinc/14/35/53/619143553.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]2(C)C[N@H+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316934 619143558 /nfs/dbraw/zinc/14/35/58/619143558.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316934 619143560 /nfs/dbraw/zinc/14/35/60/619143560.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 2 1 289.467 3.124 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000895380026 619817027 /nfs/dbraw/zinc/81/70/27/619817027.db2.gz XCIBOXLKRHMLEA-MAUKXSAKSA-N 2 1 285.435 3.110 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000903459936 621752584 /nfs/dbraw/zinc/75/25/84/621752584.db2.gz RPROFEKOWPHWBB-INIZCTEOSA-N 2 1 297.446 3.139 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446247 621757984 /nfs/dbraw/zinc/75/79/84/621757984.db2.gz UYOWCTUSNNCAKE-MJGOQNOKSA-N 2 1 297.446 3.139 20 30 CGEDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903717332 621795561 /nfs/dbraw/zinc/79/55/61/621795561.db2.gz NSBOOLHQCBLZFR-HNNXBMFYSA-N 2 1 265.445 3.156 20 30 CGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707609 624892265 /nfs/dbraw/zinc/89/22/65/624892265.db2.gz HMHBGKVMGGKORF-HOTGVXAUSA-N 2 1 285.435 3.016 20 30 CGEDMP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363928 627401382 /nfs/dbraw/zinc/40/13/82/627401382.db2.gz MDGBMBMXUDRGHC-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363928 627401385 /nfs/dbraw/zinc/40/13/85/627401385.db2.gz MDGBMBMXUDRGHC-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000767363928 627401389 /nfs/dbraw/zinc/40/13/89/627401389.db2.gz MDGBMBMXUDRGHC-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000767363928 627401393 /nfs/dbraw/zinc/40/13/93/627401393.db2.gz MDGBMBMXUDRGHC-IEBWSBKVSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000815652617 631813357 /nfs/dbraw/zinc/81/33/57/631813357.db2.gz JWDBYVMHXAGJSO-QGZVFWFLSA-N 2 1 276.424 3.302 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000815652617 631813358 /nfs/dbraw/zinc/81/33/58/631813358.db2.gz JWDBYVMHXAGJSO-QGZVFWFLSA-N 2 1 276.424 3.302 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000815652734 631814312 /nfs/dbraw/zinc/81/43/12/631814312.db2.gz PTMJEKDKOLIXKT-MSOLQXFVSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000815652734 631814314 /nfs/dbraw/zinc/81/43/14/631814314.db2.gz PTMJEKDKOLIXKT-MSOLQXFVSA-N 2 1 288.410 3.007 20 30 CGEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000824363758 633236161 /nfs/dbraw/zinc/23/61/61/633236161.db2.gz IZHLEXNQNRWSLJ-CQSZACIVSA-N 2 1 264.457 3.277 20 30 CGEDMP C#CC[C@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806000 633791750 /nfs/dbraw/zinc/79/17/50/633791750.db2.gz YYPUFWRFIPVAEO-GGJLBNBESA-N 2 1 298.474 3.013 20 30 CGEDMP C#CC[C@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806000 633791757 /nfs/dbraw/zinc/79/17/57/633791757.db2.gz YYPUFWRFIPVAEO-GGJLBNBESA-N 2 1 298.474 3.013 20 30 CGEDMP C#CC[C@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829806000 633791761 /nfs/dbraw/zinc/79/17/61/633791761.db2.gz YYPUFWRFIPVAEO-GGJLBNBESA-N 2 1 298.474 3.013 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000877458500 635043833 /nfs/dbraw/zinc/04/38/33/635043833.db2.gz WJEKHAHWKYOZGU-UHFFFAOYSA-N 2 1 262.441 3.130 20 30 CGEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738738 635173967 /nfs/dbraw/zinc/17/39/67/635173967.db2.gz CVEFWGVERXDTDU-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738738 635173973 /nfs/dbraw/zinc/17/39/73/635173973.db2.gz CVEFWGVERXDTDU-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738738 635173975 /nfs/dbraw/zinc/17/39/75/635173975.db2.gz CVEFWGVERXDTDU-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738738 635173979 /nfs/dbraw/zinc/17/39/79/635173979.db2.gz CVEFWGVERXDTDU-FUHWJXTLSA-N 2 1 297.446 3.014 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924988618 638435208 /nfs/dbraw/zinc/43/52/08/638435208.db2.gz SEEYTCKEQOOHBT-UHFFFAOYSA-N 2 1 262.441 3.339 20 30 CGEDMP N#CCCC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925675385 638566057 /nfs/dbraw/zinc/56/60/57/638566057.db2.gz FAABSOFGXKETEK-VIUKOLAESA-N 2 1 295.430 3.008 20 30 CGEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139253 638640287 /nfs/dbraw/zinc/64/02/87/638640287.db2.gz QWFLELKBVYCSTP-CVEARBPZSA-N 2 1 273.424 3.161 20 30 CGEDMP C=CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139253 638640294 /nfs/dbraw/zinc/64/02/94/638640294.db2.gz QWFLELKBVYCSTP-CVEARBPZSA-N 2 1 273.424 3.161 20 30 CGEDMP C=CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139258 638640944 /nfs/dbraw/zinc/64/09/44/638640944.db2.gz QWFLELKBVYCSTP-JKSUJKDBSA-N 2 1 273.424 3.161 20 30 CGEDMP C=CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139258 638640945 /nfs/dbraw/zinc/64/09/45/638640945.db2.gz QWFLELKBVYCSTP-JKSUJKDBSA-N 2 1 273.424 3.161 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001254669002 806479830 /nfs/dbraw/zinc/47/98/30/806479830.db2.gz MMHBTJGUOOCTKM-IXDOHACOSA-N 2 1 275.440 3.019 20 30 CGEDMP C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677238 806485396 /nfs/dbraw/zinc/48/53/96/806485396.db2.gz RKSBJUAQXQZUFS-YJBOKZPZSA-N 2 1 289.467 3.408 20 30 CGEDMP C=CCc1cc(C)c[nH+]c1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162459681 806588793 /nfs/dbraw/zinc/58/87/93/806588793.db2.gz FRZFAAHUBFXLLW-ZBFHGGJFSA-N 2 1 273.424 3.166 20 30 CGEDMP C[N@H+](CCC[NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC000037860335 798877243 /nfs/dbraw/zinc/87/72/43/798877243.db2.gz XBISWPLRIOZJMS-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1cccc(C#N)c1)C1CCCCC1 ZINC000037860335 798877245 /nfs/dbraw/zinc/87/72/45/798877245.db2.gz XBISWPLRIOZJMS-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001255961731 806800807 /nfs/dbraw/zinc/80/08/07/806800807.db2.gz PFZLKRQQDIBQMQ-HNNXBMFYSA-N 2 1 273.424 3.110 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001255961731 806800816 /nfs/dbraw/zinc/80/08/16/806800816.db2.gz PFZLKRQQDIBQMQ-HNNXBMFYSA-N 2 1 273.424 3.110 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCCC1 ZINC000925705246 800632296 /nfs/dbraw/zinc/63/22/96/800632296.db2.gz HKLZTPGSRWGBSI-IAGOWNOFSA-N 2 1 289.467 3.218 20 30 CGEDMP CN1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001256207674 806850729 /nfs/dbraw/zinc/85/07/29/806850729.db2.gz NWYZLCIRGKIEOV-UHFFFAOYSA-N 2 1 277.456 3.409 20 30 CGEDMP C[NH+]1CCC(N(CCC#N)C2CCCCCCC2)CC1 ZINC001256207674 806850737 /nfs/dbraw/zinc/85/07/37/806850737.db2.gz NWYZLCIRGKIEOV-UHFFFAOYSA-N 2 1 277.456 3.409 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001246010318 804096847 /nfs/dbraw/zinc/09/68/47/804096847.db2.gz LLLNLCAFMGVSEC-CABCVRRESA-N 2 1 272.477 3.061 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246014363 804097457 /nfs/dbraw/zinc/09/74/57/804097457.db2.gz LMXGPEGFDOPFMW-OWSLCNJRSA-N 2 1 296.499 3.218 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@]1(CCC)CC[NH2+]1 ZINC001246021165 804100736 /nfs/dbraw/zinc/10/07/36/804100736.db2.gz WAFOCHFYJUTKSR-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246029843 804102541 /nfs/dbraw/zinc/10/25/41/804102541.db2.gz WMSVYLBLVSHCSM-QGZVFWFLSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001246057175 804104668 /nfs/dbraw/zinc/10/46/68/804104668.db2.gz XTOFSCULHFCIIY-DLBZAZTESA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C(C)C)[C@H]1CC[NH2+]C1 ZINC001246057175 804104674 /nfs/dbraw/zinc/10/46/74/804104674.db2.gz XTOFSCULHFCIIY-DLBZAZTESA-N 2 1 284.488 3.170 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001246069320 804108010 /nfs/dbraw/zinc/10/80/10/804108010.db2.gz XGHSFDXRXJXBTR-QZTJIDSGSA-N 2 1 296.499 3.195 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242010 804233654 /nfs/dbraw/zinc/23/36/54/804233654.db2.gz VZYCQCXFSCTGSB-CVEARBPZSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246302026 804268755 /nfs/dbraw/zinc/26/87/55/804268755.db2.gz ZVECQYXXCOELFC-GVDBMIGSSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCCCC ZINC001246309553 804271791 /nfs/dbraw/zinc/27/17/91/804271791.db2.gz CZKIMBFCWISFIT-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411262 804326729 /nfs/dbraw/zinc/32/67/29/804326729.db2.gz AUIZDJXRBNQBTD-HZPDHXFCSA-N 2 1 284.488 3.482 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246431897 804329114 /nfs/dbraw/zinc/32/91/14/804329114.db2.gz UONZHYDZWKQNCM-CQSZACIVSA-N 2 1 276.399 3.349 20 30 CGEDMP CCCCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246493257 804358776 /nfs/dbraw/zinc/35/87/76/804358776.db2.gz YMFQEPXMGIYJNU-ZWKOTPCHSA-N 2 1 297.531 3.447 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001246535955 804386659 /nfs/dbraw/zinc/38/66/59/804386659.db2.gz QWWOUYNJCYDQPV-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246546935 804396984 /nfs/dbraw/zinc/39/69/84/804396984.db2.gz CBHHWYSYHIMMHH-HELAGCTPSA-N 2 1 283.419 3.006 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H]([NH3+])CC3)CC2)cc1 ZINC001246549351 804397624 /nfs/dbraw/zinc/39/76/24/804397624.db2.gz WTQITGDHLISNDP-JLAWEPINSA-N 2 1 297.446 3.398 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564947 804413036 /nfs/dbraw/zinc/41/30/36/804413036.db2.gz XUMOTVUFWGGFBU-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580322 804425810 /nfs/dbraw/zinc/42/58/10/804425810.db2.gz MWPSTGXPMPGUJN-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246622237 804455923 /nfs/dbraw/zinc/45/59/23/804455923.db2.gz HJUWSONJYNDULW-BRWVUGGUSA-N 2 1 282.472 3.046 20 30 CGEDMP CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246632121 804462358 /nfs/dbraw/zinc/46/23/58/804462358.db2.gz UVJWPSIUQPZHNP-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647275 804475294 /nfs/dbraw/zinc/47/52/94/804475294.db2.gz QXGFAKPTMUQDBP-KURKYZTESA-N 2 1 296.499 3.029 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001246676637 804491356 /nfs/dbraw/zinc/49/13/56/804491356.db2.gz CWLRREAZIOZCHN-JYJNAYRXSA-N 2 1 250.430 3.053 20 30 CGEDMP N#CC1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256960177 807016238 /nfs/dbraw/zinc/01/62/38/807016238.db2.gz KDBBCVYFNLWBTN-XGKJGOLRSA-N 2 1 275.440 3.193 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246871974 804573563 /nfs/dbraw/zinc/57/35/63/804573563.db2.gz SIVWOOSGCBVUJL-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246950483 804616562 /nfs/dbraw/zinc/61/65/62/804616562.db2.gz VQFKDFWEGAPSSV-UHFFFAOYSA-N 2 1 292.467 3.108 20 30 CGEDMP C=C1C[C@@H]2CC([NH+]3CC[C@]4(CC[N@H+](C)C4)C3)C[C@H](C1)C2 ZINC001257895729 807244926 /nfs/dbraw/zinc/24/49/26/807244926.db2.gz ZPJUFSBFDHJWEE-WFFDWFOESA-N 2 1 274.452 3.149 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)C[C@H](C1)C2 ZINC001257895729 807244932 /nfs/dbraw/zinc/24/49/32/807244932.db2.gz ZPJUFSBFDHJWEE-WFFDWFOESA-N 2 1 274.452 3.149 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@]4(CC[NH+](C)C4)C3)C[C@H](C1)C2 ZINC001257895729 807244937 /nfs/dbraw/zinc/24/49/37/807244937.db2.gz ZPJUFSBFDHJWEE-WFFDWFOESA-N 2 1 274.452 3.149 20 30 CGEDMP C#C[C@H](C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168022475 807301003 /nfs/dbraw/zinc/30/10/03/807301003.db2.gz SEMWDYWJYOAZBB-ARFHVFGLSA-N 2 1 270.420 3.039 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258722354 807570135 /nfs/dbraw/zinc/57/01/35/807570135.db2.gz GVJMJFQOSZBHHS-CQSZACIVSA-N 2 1 276.399 3.430 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258729016 807576754 /nfs/dbraw/zinc/57/67/54/807576754.db2.gz SBGZZVJAFRVRBW-JYJNAYRXSA-N 2 1 290.476 3.466 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001171202244 808009244 /nfs/dbraw/zinc/00/92/44/808009244.db2.gz YJCFYZHOEDVWMY-IAGOWNOFSA-N 2 1 299.462 3.330 20 30 CGEDMP CCCCCCC[N@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255664 808209545 /nfs/dbraw/zinc/20/95/45/808209545.db2.gz ZTBMLKMEKNROFR-UHFFFAOYSA-N 2 1 284.488 3.390 20 30 CGEDMP CCCCCCC[N@@H+](C)C1CC[NH+](CCCOC)CC1 ZINC001172255664 808209551 /nfs/dbraw/zinc/20/95/51/808209551.db2.gz ZTBMLKMEKNROFR-UHFFFAOYSA-N 2 1 284.488 3.390 20 30 CGEDMP C[C@@H](CCCC#N)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172481551 808344832 /nfs/dbraw/zinc/34/48/32/808344832.db2.gz WBBSUUVQLYVHEA-AWEZNQCLSA-N 2 1 251.418 3.052 20 30 CGEDMP N#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277943539 809107522 /nfs/dbraw/zinc/10/75/22/809107522.db2.gz YCDZUUKUWMOOOM-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277943539 809107527 /nfs/dbraw/zinc/10/75/27/809107527.db2.gz YCDZUUKUWMOOOM-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001277943539 809107531 /nfs/dbraw/zinc/10/75/31/809107531.db2.gz YCDZUUKUWMOOOM-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP N#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277943539 809107536 /nfs/dbraw/zinc/10/75/36/809107536.db2.gz YCDZUUKUWMOOOM-GOSISDBHSA-N 2 1 289.467 3.411 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001177132281 809782378 /nfs/dbraw/zinc/78/23/78/809782378.db2.gz FCLVRFDJYLSWIR-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205295559 812936563 /nfs/dbraw/zinc/93/65/63/812936563.db2.gz ACDFBBPJJIONKU-USXIJHARSA-N 2 1 262.441 3.206 20 30 CGEDMP C=CCCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546405 813000500 /nfs/dbraw/zinc/00/05/00/813000500.db2.gz UUPMESQWLSJFDW-HNNXBMFYSA-N 2 1 256.409 3.276 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@@H]1C[NH3+] ZINC001205626805 813033230 /nfs/dbraw/zinc/03/32/30/813033230.db2.gz JKBSZSLYSJVDRI-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC001205923683 813135464 /nfs/dbraw/zinc/13/54/64/813135464.db2.gz CQZUIMWESCAVLB-HOTGVXAUSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001206311348 813284462 /nfs/dbraw/zinc/28/44/62/813284462.db2.gz MWXSBHPDHPRBSS-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207282755 813533359 /nfs/dbraw/zinc/53/33/59/813533359.db2.gz NEZVJSMBDGOZQE-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](C)C ZINC001207282755 813533366 /nfs/dbraw/zinc/53/33/66/813533366.db2.gz NEZVJSMBDGOZQE-UHFFFAOYSA-N 2 1 260.425 3.262 20 30 CGEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001208618018 813776413 /nfs/dbraw/zinc/77/64/13/813776413.db2.gz QFTPBEXEDMQUMB-FQEVSTJZSA-N 2 1 296.458 3.092 20 30 CGEDMP C=CC[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208940520 813906705 /nfs/dbraw/zinc/90/67/05/813906705.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940520 813906714 /nfs/dbraw/zinc/90/67/14/813906714.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940520 813906719 /nfs/dbraw/zinc/90/67/19/813906719.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 2 1 258.409 3.016 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001209199838 813962705 /nfs/dbraw/zinc/96/27/05/813962705.db2.gz CDTAFNGOTOGBEU-GOSISDBHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001209199838 813962707 /nfs/dbraw/zinc/96/27/07/813962707.db2.gz CDTAFNGOTOGBEU-GOSISDBHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209199838 813962711 /nfs/dbraw/zinc/96/27/11/813962711.db2.gz CDTAFNGOTOGBEU-GOSISDBHSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209199838 813962715 /nfs/dbraw/zinc/96/27/15/813962715.db2.gz CDTAFNGOTOGBEU-GOSISDBHSA-N 2 1 294.483 3.166 20 30 CGEDMP C#CCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001209268958 813988881 /nfs/dbraw/zinc/98/88/81/813988881.db2.gz BWNDZWDNOXZWMX-MTQWCTHYSA-N 2 1 298.474 3.295 20 30 CGEDMP C#CCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001209268958 813988888 /nfs/dbraw/zinc/98/88/88/813988888.db2.gz BWNDZWDNOXZWMX-MTQWCTHYSA-N 2 1 298.474 3.295 20 30 CGEDMP C#CCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209268958 813988893 /nfs/dbraw/zinc/98/88/93/813988893.db2.gz BWNDZWDNOXZWMX-MTQWCTHYSA-N 2 1 298.474 3.295 20 30 CGEDMP C#CCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209268958 813988895 /nfs/dbraw/zinc/98/88/95/813988895.db2.gz BWNDZWDNOXZWMX-MTQWCTHYSA-N 2 1 298.474 3.295 20 30 CGEDMP C=CCCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209433233 814035568 /nfs/dbraw/zinc/03/55/68/814035568.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209433233 814035576 /nfs/dbraw/zinc/03/55/76/814035576.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209433233 814035580 /nfs/dbraw/zinc/03/55/80/814035580.db2.gz RYJXZKHLDRYEEZ-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C#Cc1cccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001231658977 818150886 /nfs/dbraw/zinc/15/08/86/818150886.db2.gz CFGMUFABKKILSU-UHFFFAOYSA-N 2 1 284.447 3.220 20 30 CGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232118886 818259750 /nfs/dbraw/zinc/25/97/50/818259750.db2.gz RHOYMAZNLBMTMV-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232118886 818259752 /nfs/dbraw/zinc/25/97/52/818259752.db2.gz RHOYMAZNLBMTMV-UHFFFAOYSA-N 2 1 293.842 3.375 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146505 819016646 /nfs/dbraw/zinc/01/66/46/819016646.db2.gz MDOQRFNPQGXRRC-HOTGVXAUSA-N 2 1 250.430 3.326 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146505 819016649 /nfs/dbraw/zinc/01/66/49/819016649.db2.gz MDOQRFNPQGXRRC-HOTGVXAUSA-N 2 1 250.430 3.326 20 30 CGEDMP CCc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1C#N ZINC001235192215 819032268 /nfs/dbraw/zinc/03/22/68/819032268.db2.gz YWJXSZQUHMNDRV-UHFFFAOYSA-N 2 1 297.446 3.229 20 30 CGEDMP C=CCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235972850 819255006 /nfs/dbraw/zinc/25/50/06/819255006.db2.gz DSUBSEBKBXZQIA-UHFFFAOYSA-N 2 1 270.420 3.090 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC001461614799 937588928 /nfs/dbraw/zinc/58/89/28/937588928.db2.gz BEGJQMOKIHXBNF-HZPDHXFCSA-N 2 1 252.446 3.299 20 30 CGEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC001320878082 934116006 /nfs/dbraw/zinc/11/60/06/934116006.db2.gz ZGSILNYEXVXTKU-CXUOOODFSA-N 2 1 297.446 3.073 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC001560289787 938251271 /nfs/dbraw/zinc/25/12/71/938251271.db2.gz RAWDSBHIUAGTCV-NXOAAHMSSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC001560289787 938251273 /nfs/dbraw/zinc/25/12/73/938251273.db2.gz RAWDSBHIUAGTCV-NXOAAHMSSA-N 2 1 264.457 3.441 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593181892 347048730 /nfs/dbraw/zinc/04/87/30/347048730.db2.gz MSOGDFQTNMGLMN-OAHLLOKOSA-N 2 1 273.424 3.187 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593181892 347048736 /nfs/dbraw/zinc/04/87/36/347048736.db2.gz MSOGDFQTNMGLMN-OAHLLOKOSA-N 2 1 273.424 3.187 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000593645865 347098191 /nfs/dbraw/zinc/09/81/91/347098191.db2.gz LUFILVVIUZHHOK-UHFFFAOYSA-N 2 1 265.445 3.026 20 30 CGEDMP CC(C)[N@@H+](C)CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594915470 347228143 /nfs/dbraw/zinc/22/81/43/347228143.db2.gz UTSFLXXYVGHLOB-UHFFFAOYSA-N 2 1 285.435 3.062 20 30 CGEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594915470 347228146 /nfs/dbraw/zinc/22/81/46/347228146.db2.gz UTSFLXXYVGHLOB-UHFFFAOYSA-N 2 1 285.435 3.062 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594915470 347228148 /nfs/dbraw/zinc/22/81/48/347228148.db2.gz UTSFLXXYVGHLOB-UHFFFAOYSA-N 2 1 285.435 3.062 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594925352 347230805 /nfs/dbraw/zinc/23/08/05/347230805.db2.gz WTJPQULYQKEOOF-UHFFFAOYSA-N 2 1 297.446 3.204 20 30 CGEDMP C[C@]1(C#N)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595840864 347365113 /nfs/dbraw/zinc/36/51/13/347365113.db2.gz GMHUXNZUVWMOBR-LJQANCHMSA-N 2 1 297.446 3.408 20 30 CGEDMP C[C@]1(C#N)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000595840864 347365118 /nfs/dbraw/zinc/36/51/18/347365118.db2.gz GMHUXNZUVWMOBR-LJQANCHMSA-N 2 1 297.446 3.408 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955162 347700976 /nfs/dbraw/zinc/70/09/76/347700976.db2.gz GVBIGBNWQCYOKU-CZUORRHYSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955162 347700979 /nfs/dbraw/zinc/70/09/79/347700979.db2.gz GVBIGBNWQCYOKU-CZUORRHYSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000599661341 347762477 /nfs/dbraw/zinc/76/24/77/347762477.db2.gz UNQONDFVYBMOEN-ROUUACIJSA-N 2 1 285.435 3.262 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000602020096 347934080 /nfs/dbraw/zinc/93/40/80/347934080.db2.gz HYKQWYPEPRNDOW-TZMCWYRMSA-N 2 1 289.398 3.126 20 30 CGEDMP CC(C)[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000602511295 347972624 /nfs/dbraw/zinc/97/26/24/347972624.db2.gz PNNVGDXARXWEPA-DAWZGUTISA-N 2 1 291.483 3.415 20 30 CGEDMP CC(C)[C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000602511369 347973079 /nfs/dbraw/zinc/97/30/79/347973079.db2.gz QROFFQKCTJHVLN-DLBZAZTESA-N 2 1 279.472 3.272 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123059 349981118 /nfs/dbraw/zinc/98/11/18/349981118.db2.gz DXKDKDBATYFXNN-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609823368 348354465 /nfs/dbraw/zinc/35/44/65/348354465.db2.gz ADUIIVMRIZFAAX-YOEHRIQHSA-N 2 1 280.375 3.153 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000154321289 188136295 /nfs/dbraw/zinc/13/62/95/188136295.db2.gz KMLKBHNQXLBWHP-AWEZNQCLSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092565248 370097760 /nfs/dbraw/zinc/09/77/60/370097760.db2.gz GXUMJEHTHSQBEM-LSDHHAIUSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287741884 371701338 /nfs/dbraw/zinc/70/13/38/371701338.db2.gz YVGJCWHCEIINIQ-HDMKZQKVSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432423524 372566918 /nfs/dbraw/zinc/56/69/18/372566918.db2.gz KBQLHAFWQPVOJV-IAGOWNOFSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432423524 372566922 /nfs/dbraw/zinc/56/69/22/372566922.db2.gz KBQLHAFWQPVOJV-IAGOWNOFSA-N 2 1 282.472 3.212 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000294865441 372675852 /nfs/dbraw/zinc/67/58/52/372675852.db2.gz CICBGSOUDAHNIH-GXTWGEPZSA-N 2 1 294.489 3.218 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000294865441 372675859 /nfs/dbraw/zinc/67/58/59/372675859.db2.gz CICBGSOUDAHNIH-GXTWGEPZSA-N 2 1 294.489 3.218 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000295104105 372691969 /nfs/dbraw/zinc/69/19/69/372691969.db2.gz WLJXNHIJBDNPDP-NSHDSACASA-N 2 1 270.829 3.007 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000295104105 372691975 /nfs/dbraw/zinc/69/19/75/372691975.db2.gz WLJXNHIJBDNPDP-NSHDSACASA-N 2 1 270.829 3.007 20 30 CGEDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333304 373681366 /nfs/dbraw/zinc/68/13/66/373681366.db2.gz GLEQTQWYNPPOEY-QQFBHYJXSA-N 2 1 265.445 3.169 20 30 CGEDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333304 373681371 /nfs/dbraw/zinc/68/13/71/373681371.db2.gz GLEQTQWYNPPOEY-QQFBHYJXSA-N 2 1 265.445 3.169 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560565 373831512 /nfs/dbraw/zinc/83/15/12/373831512.db2.gz MSQHHBKLRXSABL-WZYMTQMTSA-N 2 1 250.430 3.336 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187699375 375075541 /nfs/dbraw/zinc/07/55/41/375075541.db2.gz UZZWGCOJGRMQGC-DOTOQJQBSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187699375 375075544 /nfs/dbraw/zinc/07/55/44/375075544.db2.gz UZZWGCOJGRMQGC-DOTOQJQBSA-N 2 1 283.419 3.037 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158125 376717167 /nfs/dbraw/zinc/71/71/67/376717167.db2.gz ZTUNMNAXFYTKPU-BZUAXINKSA-N 2 1 298.434 3.091 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012062 /nfs/dbraw/zinc/01/20/62/378012062.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012068 /nfs/dbraw/zinc/01/20/68/378012068.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012072 /nfs/dbraw/zinc/01/20/72/378012072.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 2 1 285.435 3.057 20 30 CGEDMP C=CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000579236955 378142039 /nfs/dbraw/zinc/14/20/39/378142039.db2.gz OMAPCYDYBQLUPW-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579236955 378142045 /nfs/dbraw/zinc/14/20/45/378142045.db2.gz OMAPCYDYBQLUPW-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579236955 378142047 /nfs/dbraw/zinc/14/20/47/378142047.db2.gz OMAPCYDYBQLUPW-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579236955 378142050 /nfs/dbraw/zinc/14/20/50/378142050.db2.gz OMAPCYDYBQLUPW-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579236955 378142053 /nfs/dbraw/zinc/14/20/53/378142053.db2.gz OMAPCYDYBQLUPW-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507112 378402331 /nfs/dbraw/zinc/40/23/31/378402331.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507112 378402337 /nfs/dbraw/zinc/40/23/37/378402337.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507112 378402343 /nfs/dbraw/zinc/40/23/43/378402343.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507112 378402352 /nfs/dbraw/zinc/40/23/52/378402352.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277017953 379045254 /nfs/dbraw/zinc/04/52/54/379045254.db2.gz AECFBZFOTNLVDZ-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277017953 379045256 /nfs/dbraw/zinc/04/52/56/379045256.db2.gz AECFBZFOTNLVDZ-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390949926 379908966 /nfs/dbraw/zinc/90/89/66/379908966.db2.gz VYQKRVOZTACQAM-KRWDZBQOSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390949926 379908974 /nfs/dbraw/zinc/90/89/74/379908974.db2.gz VYQKRVOZTACQAM-KRWDZBQOSA-N 2 1 272.436 3.453 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000409446526 380036628 /nfs/dbraw/zinc/03/66/28/380036628.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 2 1 279.472 3.370 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446526 380036631 /nfs/dbraw/zinc/03/66/31/380036631.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 2 1 279.472 3.370 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446526 380036636 /nfs/dbraw/zinc/03/66/36/380036636.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 2 1 279.472 3.370 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000420313272 380847273 /nfs/dbraw/zinc/84/72/73/380847273.db2.gz XVWJOOOSNDHPCZ-OAHLLOKOSA-N 2 1 250.430 3.054 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000105449308 392289567 /nfs/dbraw/zinc/28/95/67/392289567.db2.gz IWXBNIMRYQOORY-UHFFFAOYSA-N 2 1 293.414 3.300 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000120763086 392403710 /nfs/dbraw/zinc/40/37/10/392403710.db2.gz JDYYSEGSFOGIFM-INIZCTEOSA-N 2 1 279.472 3.274 20 30 CGEDMP CCCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374418941 392677986 /nfs/dbraw/zinc/67/79/86/392677986.db2.gz FUHIYJNCYBDKSF-YESZJQIVSA-N 2 1 282.472 3.140 20 30 CGEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385676 393349152 /nfs/dbraw/zinc/34/91/52/393349152.db2.gz MEYRCDVRWLKVKH-TWKYDXJASA-N 2 1 297.446 3.254 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488421237 393506296 /nfs/dbraw/zinc/50/62/96/393506296.db2.gz NBIZRQRIBDTWRQ-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488421237 393506301 /nfs/dbraw/zinc/50/63/01/393506301.db2.gz NBIZRQRIBDTWRQ-QGZVFWFLSA-N 2 1 285.435 3.030 20 30 CGEDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265279 393656929 /nfs/dbraw/zinc/65/69/29/393656929.db2.gz QRVLVVITVQFYIR-YVEFUNNKSA-N 2 1 289.398 3.256 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC2CCC2)CC1 ZINC000675827885 543367965 /nfs/dbraw/zinc/36/79/65/543367965.db2.gz INKFUWBIDJHJGR-AWEZNQCLSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000069707004 287266834 /nfs/dbraw/zinc/26/68/34/287266834.db2.gz SIEASOUKXQERLH-MRXNPFEDSA-N 2 1 285.435 3.302 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000336806217 262395896 /nfs/dbraw/zinc/39/58/96/262395896.db2.gz LGKYUELFGUKIFX-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000336806217 262395897 /nfs/dbraw/zinc/39/58/97/262395897.db2.gz LGKYUELFGUKIFX-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806217 262395898 /nfs/dbraw/zinc/39/58/98/262395898.db2.gz LGKYUELFGUKIFX-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CC[NH+]1C ZINC000336806217 262395900 /nfs/dbraw/zinc/39/59/00/262395900.db2.gz LGKYUELFGUKIFX-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453385601 263257389 /nfs/dbraw/zinc/25/73/89/263257389.db2.gz UVBJISRDNHXCME-GJZGRUSLSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000341888742 263363795 /nfs/dbraw/zinc/36/37/95/263363795.db2.gz QLUYGEIBSAJTKA-GDBMZVCRSA-N 2 1 299.418 3.016 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185780166 329331885 /nfs/dbraw/zinc/33/18/85/329331885.db2.gz KNBOGWXMDLHBOC-YESZJQIVSA-N 2 1 277.456 3.170 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647734 330145256 /nfs/dbraw/zinc/14/52/56/330145256.db2.gz KWGAYKKUYYSTNY-NXHRZFHOSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647734 330145257 /nfs/dbraw/zinc/14/52/57/330145257.db2.gz KWGAYKKUYYSTNY-NXHRZFHOSA-N 2 1 270.420 3.041 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000424316239 330339415 /nfs/dbraw/zinc/33/94/15/330339415.db2.gz AWKMAGOGRLSUBO-RANZSIQMSA-N 2 1 283.419 3.104 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000424316239 330339416 /nfs/dbraw/zinc/33/94/16/330339416.db2.gz AWKMAGOGRLSUBO-RANZSIQMSA-N 2 1 283.419 3.104 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459791724 331301153 /nfs/dbraw/zinc/30/11/53/331301153.db2.gz RQPAMEPHXNHQGY-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000183140295 333119210 /nfs/dbraw/zinc/11/92/10/333119210.db2.gz LNDBNEAVYYSLKK-BFYDXBDKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000187220252 333168673 /nfs/dbraw/zinc/16/86/73/333168673.db2.gz RDGJZLTZAOVFFH-WBVHZDCISA-N 2 1 262.441 3.219 20 30 CGEDMP CC#CC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000548488668 334160295 /nfs/dbraw/zinc/16/02/95/334160295.db2.gz XONAANTYIAXQRU-UHFFFAOYSA-N 2 1 264.457 3.090 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912238 334321818 /nfs/dbraw/zinc/32/18/18/334321818.db2.gz VNLBSKPJSNWHLK-HZPDHXFCSA-N 2 1 277.456 3.313 20 30 CGEDMP CC(C)[NH+](CCC[NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000177708571 335380432 /nfs/dbraw/zinc/38/04/32/335380432.db2.gz LDBAMUPGOQASGX-UHFFFAOYSA-N 2 1 279.453 3.218 20 30 CGEDMP C=CC[NH+](CCc1ccco1)CC[C@@H]1CCCC[N@H+]1C ZINC000352699699 526325602 /nfs/dbraw/zinc/32/56/02/526325602.db2.gz CMDHUWJAPCUFPE-INIZCTEOSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[NH+](CCc1ccco1)CC[C@@H]1CCCC[N@@H+]1C ZINC000352699699 526325605 /nfs/dbraw/zinc/32/56/05/526325605.db2.gz CMDHUWJAPCUFPE-INIZCTEOSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[N@@H+](CCc1ccco1)CC[C@@H]1CCCC[NH+]1C ZINC000352699699 526325607 /nfs/dbraw/zinc/32/56/07/526325607.db2.gz CMDHUWJAPCUFPE-INIZCTEOSA-N 2 1 276.424 3.185 20 30 CGEDMP C=CC[N@H+](CCc1ccco1)CC[C@@H]1CCCC[NH+]1C ZINC000352699699 526325612 /nfs/dbraw/zinc/32/56/12/526325612.db2.gz CMDHUWJAPCUFPE-INIZCTEOSA-N 2 1 276.424 3.185 20 30 CGEDMP C=C(CC)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960220 526860457 /nfs/dbraw/zinc/86/04/57/526860457.db2.gz PLZRTCWMUHCZNJ-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000891508585 618234127 /nfs/dbraw/zinc/23/41/27/618234127.db2.gz FZVOTPPNURKRSY-UHFFFAOYSA-N 2 1 264.438 3.078 20 30 CGEDMP CCCCCCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000897969080 620459496 /nfs/dbraw/zinc/45/94/96/620459496.db2.gz DIISXRPQMLCZCV-OOKSDGMUSA-N 2 1 296.499 3.313 20 30 CGEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902896284 621489307 /nfs/dbraw/zinc/48/93/07/621489307.db2.gz JKIRQYWXZUQKGQ-ROUUACIJSA-N 2 1 292.467 3.132 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381279 621723193 /nfs/dbraw/zinc/72/31/93/621723193.db2.gz UTZIWUKAQMTVMK-GDBMZVCRSA-N 2 1 261.413 3.019 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903784016 621807724 /nfs/dbraw/zinc/80/77/24/621807724.db2.gz JGJSLCJPDOZTKT-GOSISDBHSA-N 2 1 289.467 3.316 20 30 CGEDMP c1cnn([NH+]=C2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164624 629488251 /nfs/dbraw/zinc/48/82/51/629488251.db2.gz PYPNSFZXQZTKIE-SJORKVTESA-N 2 1 294.402 3.019 20 30 CGEDMP C#CCCCCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000876775602 634898062 /nfs/dbraw/zinc/89/80/62/634898062.db2.gz ZGLPOGUGIKASQY-KRWDZBQOSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000876775602 634898065 /nfs/dbraw/zinc/89/80/65/634898065.db2.gz ZGLPOGUGIKASQY-KRWDZBQOSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000876775602 634898069 /nfs/dbraw/zinc/89/80/69/634898069.db2.gz ZGLPOGUGIKASQY-KRWDZBQOSA-N 2 1 264.457 3.234 20 30 CGEDMP CCCCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000130860733 636523280 /nfs/dbraw/zinc/52/32/80/636523280.db2.gz GPFPVHAPBHQOIG-UHFFFAOYSA-N 2 1 251.418 3.484 20 30 CGEDMP CCCCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130860733 636523287 /nfs/dbraw/zinc/52/32/87/636523287.db2.gz GPFPVHAPBHQOIG-UHFFFAOYSA-N 2 1 251.418 3.484 20 30 CGEDMP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000883390256 636734385 /nfs/dbraw/zinc/73/43/85/636734385.db2.gz IOGFSCCFYXQBEB-WMLDXEAASA-N 2 1 299.418 3.158 20 30 CGEDMP N#CCCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925675386 638566226 /nfs/dbraw/zinc/56/62/26/638566226.db2.gz FAABSOFGXKETEK-XNIJUTNWSA-N 2 1 295.430 3.008 20 30 CGEDMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929471711 638926972 /nfs/dbraw/zinc/92/69/72/638926972.db2.gz YGKWXICJTJFYLX-UHFFFAOYSA-N 2 1 277.456 3.121 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612264 639469466 /nfs/dbraw/zinc/46/94/66/639469466.db2.gz YMMVIUHVEBEQDZ-IBGZPJMESA-N 2 1 297.446 3.222 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001252130696 806016973 /nfs/dbraw/zinc/01/69/73/806016973.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252130696 806016982 /nfs/dbraw/zinc/01/69/82/806016982.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252130696 806016987 /nfs/dbraw/zinc/01/69/87/806016987.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252136398 806021535 /nfs/dbraw/zinc/02/15/35/806021535.db2.gz PMEQWGTYXDVFQN-MSOLQXFVSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001253252235 806196779 /nfs/dbraw/zinc/19/67/79/806196779.db2.gz STQYLKTVNJXVOX-GOSISDBHSA-N 2 1 294.483 3.090 20 30 CGEDMP CC1([NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254658465 806478341 /nfs/dbraw/zinc/47/83/41/806478341.db2.gz WJCOLTDMONHEBC-ZWKOTPCHSA-N 2 1 297.446 3.323 20 30 CGEDMP N#C[C@H]1CC[C@@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254658747 806478694 /nfs/dbraw/zinc/47/86/94/806478694.db2.gz XJCPMCACOIOWNB-XLAORIBOSA-N 2 1 289.467 3.441 20 30 CGEDMP CC[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001255150557 806553613 /nfs/dbraw/zinc/55/36/13/806553613.db2.gz WHYAQLLYPDISED-KRWDZBQOSA-N 2 1 271.408 3.064 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000328099565 799250188 /nfs/dbraw/zinc/25/01/88/799250188.db2.gz KPSXWIWVMYJLEM-LBPRGKRZSA-N 2 1 282.790 3.085 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000328192979 799250410 /nfs/dbraw/zinc/25/04/10/799250410.db2.gz QPXKRZZDGULHED-KRWDZBQOSA-N 2 1 258.409 3.073 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000328192979 799250416 /nfs/dbraw/zinc/25/04/16/799250416.db2.gz QPXKRZZDGULHED-KRWDZBQOSA-N 2 1 258.409 3.073 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624120 800177143 /nfs/dbraw/zinc/17/71/43/800177143.db2.gz DKFIAUDUOLTHJC-MUGJNUQGSA-N 2 1 296.458 3.287 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246025374 804099803 /nfs/dbraw/zinc/09/98/03/804099803.db2.gz XOOGAMDAXYWTEW-ZWKOTPCHSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035191 804102373 /nfs/dbraw/zinc/10/23/73/804102373.db2.gz ZTEQGPWKYQZZCH-ROUUACIJSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035191 804102378 /nfs/dbraw/zinc/10/23/78/804102378.db2.gz ZTEQGPWKYQZZCH-ROUUACIJSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246046106 804104882 /nfs/dbraw/zinc/10/48/82/804104882.db2.gz QAESFSQEBPPHTK-IAGOWNOFSA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001246069473 804108047 /nfs/dbraw/zinc/10/80/47/804108047.db2.gz XYACMDNMUWPPIY-ZWKOTPCHSA-N 2 1 298.515 3.419 20 30 CGEDMP C[C@H]1CC[C@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC001246082821 804119215 /nfs/dbraw/zinc/11/92/15/804119215.db2.gz YKTJWLFQXYWKKY-QKHJWGRCSA-N 2 1 297.446 3.315 20 30 CGEDMP N#Cc1ccc(C2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001246167096 804182060 /nfs/dbraw/zinc/18/20/60/804182060.db2.gz COPWXXOIQLYPJO-ACBHZAAOSA-N 2 1 297.446 3.316 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246264737 804246579 /nfs/dbraw/zinc/24/65/79/804246579.db2.gz LCFYTTUBGLMZIV-CGTJXYLNSA-N 2 1 288.410 3.319 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](CC)CCCCC ZINC001246311743 804272719 /nfs/dbraw/zinc/27/27/19/804272719.db2.gz LYUZQJMBDMNENR-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246323931 804280758 /nfs/dbraw/zinc/28/07/58/804280758.db2.gz DBVXIIPUDFRBEL-QKHJWGRCSA-N 2 1 297.446 3.172 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246466576 804345389 /nfs/dbraw/zinc/34/53/89/804345389.db2.gz QYKANEMWRVSTQX-BBWFWOEESA-N 2 1 284.488 3.482 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C[NH2+]C)C3)C[C@H](C1)C2 ZINC001246538176 804386968 /nfs/dbraw/zinc/38/69/68/804386968.db2.gz AQLKFLRRAHKVFS-VPSFDDGASA-N 2 1 262.441 3.053 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCCC[C@](F)(C[NH3+])C3)C[C@H](C1)C2 ZINC001246575669 804422208 /nfs/dbraw/zinc/42/22/08/804422208.db2.gz IVYPZBGQWWETJQ-WFVVYAPDSA-N 2 1 280.431 3.274 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@](F)(C[NH3+])C3)C[C@H](C1)C2 ZINC001246575669 804422212 /nfs/dbraw/zinc/42/22/12/804422212.db2.gz IVYPZBGQWWETJQ-WFVVYAPDSA-N 2 1 280.431 3.274 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612777 804446591 /nfs/dbraw/zinc/44/65/91/804446591.db2.gz HQSOYQNFWFPWCZ-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617472 804451972 /nfs/dbraw/zinc/45/19/72/804451972.db2.gz GFZNUGAANHGVFD-SQNIBIBYSA-N 2 1 295.515 3.151 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642145 804468973 /nfs/dbraw/zinc/46/89/73/804468973.db2.gz LKWOZXHKPWZJEM-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246647274 804475644 /nfs/dbraw/zinc/47/56/44/804475644.db2.gz QXGFAKPTMUQDBP-KSZLIROESA-N 2 1 296.499 3.029 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652452 804479249 /nfs/dbraw/zinc/47/92/49/804479249.db2.gz OYBBBZJLLVIGNX-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246652452 804479253 /nfs/dbraw/zinc/47/92/53/804479253.db2.gz OYBBBZJLLVIGNX-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246661703 804484937 /nfs/dbraw/zinc/48/49/37/804484937.db2.gz HOGUTULEIDBXRF-BZUAXINKSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246661703 804484940 /nfs/dbraw/zinc/48/49/40/804484940.db2.gz HOGUTULEIDBXRF-BZUAXINKSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246843474 804551945 /nfs/dbraw/zinc/55/19/45/804551945.db2.gz GIDYCQIETBJSNW-HNNXBMFYSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001246843474 804551949 /nfs/dbraw/zinc/55/19/49/804551949.db2.gz GIDYCQIETBJSNW-HNNXBMFYSA-N 2 1 282.472 3.188 20 30 CGEDMP C=CC[N@@H+]([C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246918939 804600704 /nfs/dbraw/zinc/60/07/04/804600704.db2.gz HWXUFBAHODQUGK-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001167837438 807258550 /nfs/dbraw/zinc/25/85/50/807258550.db2.gz KDEYJQBYUVOYFJ-HOTGVXAUSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155040 807596984 /nfs/dbraw/zinc/59/69/84/807596984.db2.gz WKLJIAONPQTBFQ-BJWYYQGGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155040 807596988 /nfs/dbraw/zinc/59/69/88/807596988.db2.gz WKLJIAONPQTBFQ-BJWYYQGGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155040 807596992 /nfs/dbraw/zinc/59/69/92/807596992.db2.gz WKLJIAONPQTBFQ-BJWYYQGGSA-N 2 1 262.441 3.432 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155040 807596995 /nfs/dbraw/zinc/59/69/95/807596995.db2.gz WKLJIAONPQTBFQ-BJWYYQGGSA-N 2 1 262.441 3.432 20 30 CGEDMP CC[NH+]1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001169258076 807616890 /nfs/dbraw/zinc/61/68/90/807616890.db2.gz ANNRRGGDPBXFHD-UHFFFAOYSA-N 2 1 297.446 3.222 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290615 808216511 /nfs/dbraw/zinc/21/65/11/808216511.db2.gz QYAWUENXHDJWPQ-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290615 808216518 /nfs/dbraw/zinc/21/65/18/808216518.db2.gz QYAWUENXHDJWPQ-INIZCTEOSA-N 2 1 287.451 3.201 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172308608 808223585 /nfs/dbraw/zinc/22/35/85/808223585.db2.gz LLQLLPHMVXWBTN-FRQCXROJSA-N 2 1 299.462 3.198 20 30 CGEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172488975 808349401 /nfs/dbraw/zinc/34/94/01/808349401.db2.gz XKUYANZTYVHESW-AWEZNQCLSA-N 2 1 289.398 3.158 20 30 CGEDMP Cc1cccc(N([C@@H](C)CCCC#N)C2CC[NH2+]CC2)[nH+]1 ZINC001172510134 808365450 /nfs/dbraw/zinc/36/54/50/808365450.db2.gz WADILAKHBMLEJZ-HNNXBMFYSA-N 2 1 286.423 3.031 20 30 CGEDMP N#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277943567 809107093 /nfs/dbraw/zinc/10/70/93/809107093.db2.gz YYDQBBQTXWAYQZ-QGZVFWFLSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277943567 809107097 /nfs/dbraw/zinc/10/70/97/809107097.db2.gz YYDQBBQTXWAYQZ-QGZVFWFLSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277943567 809107098 /nfs/dbraw/zinc/10/70/98/809107098.db2.gz YYDQBBQTXWAYQZ-QGZVFWFLSA-N 2 1 275.440 3.021 20 30 CGEDMP N#CCCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277943567 809107102 /nfs/dbraw/zinc/10/71/02/809107102.db2.gz YYDQBBQTXWAYQZ-QGZVFWFLSA-N 2 1 275.440 3.021 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351353 809372137 /nfs/dbraw/zinc/37/21/37/809372137.db2.gz LDBVKYPPTWBNBP-ZWKOTPCHSA-N 2 1 276.468 3.375 20 30 CGEDMP CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC001182497897 810112945 /nfs/dbraw/zinc/11/29/45/810112945.db2.gz FDJAXEKMYPLTEK-HNNXBMFYSA-N 2 1 285.435 3.283 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001205295557 812935514 /nfs/dbraw/zinc/93/55/14/812935514.db2.gz ACDFBBPJJIONKU-UAGQMJEPSA-N 2 1 262.441 3.206 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205638560 813036311 /nfs/dbraw/zinc/03/63/11/813036311.db2.gz PIAKLGOVETZDOR-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205638563 813038372 /nfs/dbraw/zinc/03/83/72/813038372.db2.gz PIAKLGOVETZDOR-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C#Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206590406 813366767 /nfs/dbraw/zinc/36/67/67/813366767.db2.gz LFTMSPSOFRAAIO-GOSISDBHSA-N 2 1 270.420 3.020 20 30 CGEDMP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209267588 813989828 /nfs/dbraw/zinc/98/98/28/813989828.db2.gz JSKAPQOWJQSKFG-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209267588 813989833 /nfs/dbraw/zinc/98/98/33/813989833.db2.gz JSKAPQOWJQSKFG-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209267588 813989835 /nfs/dbraw/zinc/98/98/35/813989835.db2.gz JSKAPQOWJQSKFG-FQEVSTJZSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209267591 813990300 /nfs/dbraw/zinc/99/03/00/813990300.db2.gz JSKAPQOWJQSKFG-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209267591 813990303 /nfs/dbraw/zinc/99/03/03/813990303.db2.gz JSKAPQOWJQSKFG-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209267591 813990308 /nfs/dbraw/zinc/99/03/08/813990308.db2.gz JSKAPQOWJQSKFG-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001232146673 818264796 /nfs/dbraw/zinc/26/47/96/818264796.db2.gz XXWHKHQNACRSOJ-UHFFFAOYSA-N 2 1 289.398 3.013 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072378 819301007 /nfs/dbraw/zinc/30/10/07/819301007.db2.gz GPPMTBGAOCDDDI-SFHVURJKSA-N 2 1 293.499 3.010 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC001236434768 819477893 /nfs/dbraw/zinc/47/78/93/819477893.db2.gz WWQIXKAJHFSJFC-OAHLLOKOSA-N 2 1 250.430 3.197 20 30 CGEDMP C#CCCC[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556005 819534850 /nfs/dbraw/zinc/53/48/50/819534850.db2.gz OZONLNJIKQRYMY-WGSAOQKQSA-N 2 1 284.447 3.480 20 30 CGEDMP C#CCCC[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713445 819580420 /nfs/dbraw/zinc/58/04/20/819580420.db2.gz DIVIYPLBFMVTGG-WGSAOQKQSA-N 2 1 284.447 3.480 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000328011045 926897020 /nfs/dbraw/zinc/89/70/20/926897020.db2.gz PXYDSIPQNRFINP-KRWDZBQOSA-N 2 1 272.436 3.218 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000328011045 926897033 /nfs/dbraw/zinc/89/70/33/926897033.db2.gz PXYDSIPQNRFINP-KRWDZBQOSA-N 2 1 272.436 3.218 20 30 CGEDMP C[C@@H](CCCC#N)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172486353 928223165 /nfs/dbraw/zinc/22/31/65/928223165.db2.gz DMGONCQUXAKBFO-DZKIICNBSA-N 2 1 263.429 3.193 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC001334869285 936120038 /nfs/dbraw/zinc/12/00/38/936120038.db2.gz WTVTXXVVOWENJZ-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001560289789 938251441 /nfs/dbraw/zinc/25/14/41/938251441.db2.gz RAWDSBHIUAGTCV-VQHPVUNQSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC001560289789 938251443 /nfs/dbraw/zinc/25/14/43/938251443.db2.gz RAWDSBHIUAGTCV-VQHPVUNQSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001561052448 938292019 /nfs/dbraw/zinc/29/20/19/938292019.db2.gz BEJGMXBHCLVRHO-XUWVNRHRSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)[C@@H]([NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC001574831599 962321235 /nfs/dbraw/zinc/32/12/35/962321235.db2.gz UBSHVHFCHKBYSH-CVEARBPZSA-N 2 1 280.362 3.171 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000651730172 398277280 /nfs/dbraw/zinc/27/72/80/398277280.db2.gz BPZFKIXMDHYNFJ-SJLPKXTDSA-N 2 1 294.483 3.210 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000651828222 398294918 /nfs/dbraw/zinc/29/49/18/398294918.db2.gz ZGLOUGZQIBHSFJ-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000591576963 346929401 /nfs/dbraw/zinc/92/94/01/346929401.db2.gz MNYAQTAVLGIYDZ-OALUTQOASA-N 2 1 297.446 3.433 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577754 346930133 /nfs/dbraw/zinc/93/01/33/346930133.db2.gz LQFJJYSXPAYECX-RDJZCZTQSA-N 2 1 271.408 3.043 20 30 CGEDMP C=CCOc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459734054 346624826 /nfs/dbraw/zinc/62/48/26/346624826.db2.gz OBFAEBKMRXCCKN-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594496068 347178294 /nfs/dbraw/zinc/17/82/94/347178294.db2.gz YUOBTXVIEWWINN-MSOLQXFVSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594496068 347178300 /nfs/dbraw/zinc/17/83/00/347178300.db2.gz YUOBTXVIEWWINN-MSOLQXFVSA-N 2 1 297.446 3.204 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514119 347184737 /nfs/dbraw/zinc/18/47/37/347184737.db2.gz PKQNLZVNQAGDJR-WMLDXEAASA-N 2 1 285.435 3.060 20 30 CGEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594978614 347248065 /nfs/dbraw/zinc/24/80/65/347248065.db2.gz SUXQXJRUYFJVKT-HNNXBMFYSA-N 2 1 277.456 3.313 20 30 CGEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594978614 347248067 /nfs/dbraw/zinc/24/80/67/347248067.db2.gz SUXQXJRUYFJVKT-HNNXBMFYSA-N 2 1 277.456 3.313 20 30 CGEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995503 347704687 /nfs/dbraw/zinc/70/46/87/347704687.db2.gz ZOLNCTTYUWDKEK-QGZVFWFLSA-N 2 1 297.446 3.063 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000599298047 347733467 /nfs/dbraw/zinc/73/34/67/347733467.db2.gz PEAWHBRRXJYWHR-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000599298047 347733471 /nfs/dbraw/zinc/73/34/71/347733471.db2.gz PEAWHBRRXJYWHR-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121906 349979888 /nfs/dbraw/zinc/97/98/88/349979888.db2.gz FWHWZKGWCKOXLR-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123068 349981232 /nfs/dbraw/zinc/98/12/32/349981232.db2.gz FGLHPAUNRMQARZ-GVDBMIGSSA-N 2 1 264.457 3.443 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609823364 348354325 /nfs/dbraw/zinc/35/43/25/348354325.db2.gz ADUIIVMRIZFAAX-RHSMWYFYSA-N 2 1 280.375 3.153 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000611390996 348444758 /nfs/dbraw/zinc/44/47/58/348444758.db2.gz YZVQOPIMAKNVBF-KXBFYZLASA-N 2 1 295.430 3.010 20 30 CGEDMP C=CC[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199332 /nfs/dbraw/zinc/19/93/32/350199332.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 2 1 262.441 3.173 20 30 CGEDMP C=CC[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199336 /nfs/dbraw/zinc/19/93/36/350199336.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 2 1 262.441 3.173 20 30 CGEDMP C=CC[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703072 350199337 /nfs/dbraw/zinc/19/93/37/350199337.db2.gz QALVPJBJDFEZNY-CALCHBBNSA-N 2 1 262.441 3.173 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631216786 350993471 /nfs/dbraw/zinc/99/34/71/350993471.db2.gz APIRKEHYGCKPCT-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631685138 351119015 /nfs/dbraw/zinc/11/90/15/351119015.db2.gz WTPWDEBQHSWIQR-QGZVFWFLSA-N 2 1 294.483 3.212 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000176962025 189017667 /nfs/dbraw/zinc/01/76/67/189017667.db2.gz HUJVWXDMTXFOLM-UHFFFAOYSA-N 2 1 279.453 3.221 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000120768525 370798847 /nfs/dbraw/zinc/79/88/47/370798847.db2.gz FABJAYXVUDUFGW-GOSISDBHSA-N 2 1 285.435 3.016 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275639705 193093265 /nfs/dbraw/zinc/09/32/65/193093265.db2.gz SXDVFZGRKPSZFK-CABCVRRESA-N 2 1 261.413 3.170 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000121348411 370854312 /nfs/dbraw/zinc/85/43/12/370854312.db2.gz JNUAPGKOFMSQAI-MRXNPFEDSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005073 /nfs/dbraw/zinc/00/50/73/372005073.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005075 /nfs/dbraw/zinc/00/50/75/372005075.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 2 1 258.409 3.157 20 30 CGEDMP C=CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005079 /nfs/dbraw/zinc/00/50/79/372005079.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 2 1 258.409 3.157 20 30 CGEDMP C=CCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687998 372795311 /nfs/dbraw/zinc/79/53/11/372795311.db2.gz LAALJAOHIPQHKH-AWEZNQCLSA-N 2 1 291.464 3.053 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723057 373069766 /nfs/dbraw/zinc/06/97/66/373069766.db2.gz WQPKCWLXQSRZDL-BRWVUGGUSA-N 2 1 277.456 3.025 20 30 CGEDMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333303 373681206 /nfs/dbraw/zinc/68/12/06/373681206.db2.gz GLEQTQWYNPPOEY-FHERZECASA-N 2 1 265.445 3.169 20 30 CGEDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333303 373681208 /nfs/dbraw/zinc/68/12/08/373681208.db2.gz GLEQTQWYNPPOEY-FHERZECASA-N 2 1 265.445 3.169 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185758955 374731921 /nfs/dbraw/zinc/73/19/21/374731921.db2.gz GEAHGBFCRODLRD-IEBWSBKVSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3occc32)CC1 ZINC000190938050 375550845 /nfs/dbraw/zinc/55/08/45/375550845.db2.gz VJCKOBYCFOXKCA-MRXNPFEDSA-N 2 1 274.408 3.287 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158127 376716470 /nfs/dbraw/zinc/71/64/70/376716470.db2.gz ZTUNMNAXFYTKPU-OWCLPIDISA-N 2 1 298.434 3.091 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246489855 377042168 /nfs/dbraw/zinc/04/21/68/377042168.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246489855 377042176 /nfs/dbraw/zinc/04/21/76/377042176.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246489855 377042183 /nfs/dbraw/zinc/04/21/83/377042183.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246489855 377042192 /nfs/dbraw/zinc/04/21/92/377042192.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 2 1 295.430 3.007 20 30 CGEDMP N#CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581994 377055554 /nfs/dbraw/zinc/05/55/54/377055554.db2.gz YSKCGWHQUKCFGC-SQNIBIBYSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581994 377055560 /nfs/dbraw/zinc/05/55/60/377055560.db2.gz YSKCGWHQUKCFGC-SQNIBIBYSA-N 2 1 283.419 3.248 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000248400914 377308775 /nfs/dbraw/zinc/30/87/75/377308775.db2.gz LNDBNEAVYYSLKK-YQQAZPJKSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000268957197 378162049 /nfs/dbraw/zinc/16/20/49/378162049.db2.gz YYSWJYSUHQVPOY-SJLPKXTDSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000268957197 378162053 /nfs/dbraw/zinc/16/20/53/378162053.db2.gz YYSWJYSUHQVPOY-SJLPKXTDSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504618 378402179 /nfs/dbraw/zinc/40/21/79/378402179.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504618 378402186 /nfs/dbraw/zinc/40/21/86/378402186.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504618 378402193 /nfs/dbraw/zinc/40/21/93/378402193.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504618 378402199 /nfs/dbraw/zinc/40/21/99/378402199.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C=C(C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346775515 378687323 /nfs/dbraw/zinc/68/73/23/378687323.db2.gz GZEKDULBGHLKET-WBVHZDCISA-N 2 1 258.409 3.020 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274871092 378911020 /nfs/dbraw/zinc/91/10/20/378911020.db2.gz XDCDWWCJPLEJEZ-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274871092 378911031 /nfs/dbraw/zinc/91/10/31/378911031.db2.gz XDCDWWCJPLEJEZ-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278641894 194080762 /nfs/dbraw/zinc/08/07/62/194080762.db2.gz HOVZMNMHIJJLRH-RDTXWAMCSA-N 2 1 296.418 3.440 20 30 CGEDMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278641890 194081773 /nfs/dbraw/zinc/08/17/73/194081773.db2.gz HOVZMNMHIJJLRH-KSSFIOAISA-N 2 1 296.418 3.440 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398044435 379926525 /nfs/dbraw/zinc/92/65/25/379926525.db2.gz UYUYGZSZAXEMCI-SJLPKXTDSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411575747 380152005 /nfs/dbraw/zinc/15/20/05/380152005.db2.gz WOKAKNGIRCXXDR-UHFFFAOYSA-N 2 1 258.409 3.290 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000414299862 380209118 /nfs/dbraw/zinc/20/91/18/380209118.db2.gz KHONXECZDGOIGK-GOSISDBHSA-N 2 1 272.436 3.248 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189966867 130045239 /nfs/dbraw/zinc/04/52/39/130045239.db2.gz WPQPJCDPEGCVRK-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189966867 130045240 /nfs/dbraw/zinc/04/52/40/130045240.db2.gz WPQPJCDPEGCVRK-CQSZACIVSA-N 2 1 282.391 3.146 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000487298599 393451425 /nfs/dbraw/zinc/45/14/25/393451425.db2.gz KQIXUFKUQTVIJZ-UKRRQHHQSA-N 2 1 250.430 3.051 20 30 CGEDMP Cc1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474139 393526407 /nfs/dbraw/zinc/52/64/07/393526407.db2.gz ZAIFUUFIWGEYGO-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474139 393526409 /nfs/dbraw/zinc/52/64/09/393526409.db2.gz ZAIFUUFIWGEYGO-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N ZINC000488474139 393526412 /nfs/dbraw/zinc/52/64/12/393526412.db2.gz ZAIFUUFIWGEYGO-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1C#N ZINC000488474139 393526415 /nfs/dbraw/zinc/52/64/15/393526415.db2.gz ZAIFUUFIWGEYGO-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1C#N ZINC000488474139 393526418 /nfs/dbraw/zinc/52/64/18/393526418.db2.gz ZAIFUUFIWGEYGO-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000685615354 544089321 /nfs/dbraw/zinc/08/93/21/544089321.db2.gz MDCVTFBLHMRYOY-HOCLYGCPSA-N 2 1 262.441 3.219 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000661114480 419231402 /nfs/dbraw/zinc/23/14/02/419231402.db2.gz IHLSNPHJEIIGPO-ZBFHGGJFSA-N 2 1 261.413 3.077 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468928 419621425 /nfs/dbraw/zinc/62/14/25/419621425.db2.gz NJPHWHXWIVSGFZ-YQQAZPJKSA-N 2 1 264.457 3.299 20 30 CGEDMP N#CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678490 260002423 /nfs/dbraw/zinc/00/24/23/260002423.db2.gz WZEBMISRSPLGNK-RTBURBONSA-N 2 1 297.446 3.134 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000274638637 328212162 /nfs/dbraw/zinc/21/21/62/328212162.db2.gz QRCJZSSKHZLWKA-OWYHZJEWSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000274638637 328212163 /nfs/dbraw/zinc/21/21/63/328212163.db2.gz QRCJZSSKHZLWKA-OWYHZJEWSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185780149 329331856 /nfs/dbraw/zinc/33/18/56/329331856.db2.gz KNBOGWXMDLHBOC-IXDOHACOSA-N 2 1 277.456 3.170 20 30 CGEDMP C=C(C)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423048728 330167142 /nfs/dbraw/zinc/16/71/42/330167142.db2.gz INBYEXIYHVLLKB-PGUXBMHVSA-N 2 1 268.351 3.297 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000424316237 330339412 /nfs/dbraw/zinc/33/94/12/330339412.db2.gz AWKMAGOGRLSUBO-DZOHQFGASA-N 2 1 283.419 3.104 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000424316237 330339413 /nfs/dbraw/zinc/33/94/13/330339413.db2.gz AWKMAGOGRLSUBO-DZOHQFGASA-N 2 1 283.419 3.104 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000120435011 330387830 /nfs/dbraw/zinc/38/78/30/330387830.db2.gz BZHIUFZFDYGUPX-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442711470 330780364 /nfs/dbraw/zinc/78/03/64/330780364.db2.gz RWJOZGMKRGADCC-VQIMIIECSA-N 2 1 297.446 3.241 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234336056 333359518 /nfs/dbraw/zinc/35/95/18/333359518.db2.gz HOXCHZMKYFFQOR-HOTGVXAUSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234336056 333359519 /nfs/dbraw/zinc/35/95/19/333359519.db2.gz HOXCHZMKYFFQOR-HOTGVXAUSA-N 2 1 277.456 3.123 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000153014465 334540962 /nfs/dbraw/zinc/54/09/62/334540962.db2.gz XOHMHOQBXWUPDV-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)CCc1ccco1 ZINC000352702467 526273589 /nfs/dbraw/zinc/27/35/89/526273589.db2.gz XIGDVVDJUSRLFA-UHFFFAOYSA-N 2 1 287.407 3.295 20 30 CGEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)CCc1ccco1 ZINC000352702467 526273595 /nfs/dbraw/zinc/27/35/95/526273595.db2.gz XIGDVVDJUSRLFA-UHFFFAOYSA-N 2 1 287.407 3.295 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000417895095 526602264 /nfs/dbraw/zinc/60/22/64/526602264.db2.gz GDXGKBQBCDWXGH-HKUYNNGSSA-N 2 1 284.447 3.420 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000106246080 526603906 /nfs/dbraw/zinc/60/39/06/526603906.db2.gz QNCUEZMWUINRIL-UHFFFAOYSA-N 2 1 278.827 3.470 20 30 CGEDMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902725720 621413278 /nfs/dbraw/zinc/41/32/78/621413278.db2.gz GADMITPISLOKLX-KRWDZBQOSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@]1(C)CCCCO1 ZINC000902795676 621451289 /nfs/dbraw/zinc/45/12/89/621451289.db2.gz FONBANJQWHASIK-FGTMMUONSA-N 2 1 294.483 3.212 20 30 CGEDMP CCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH2+]CC1 ZINC000903446484 621758019 /nfs/dbraw/zinc/75/80/19/621758019.db2.gz XEBREXQPRMKRLM-UHFFFAOYSA-N 2 1 291.826 3.176 20 30 CGEDMP C[C@@H]1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C[NH3+] ZINC000903761591 621802207 /nfs/dbraw/zinc/80/22/07/621802207.db2.gz WUNIMUOKNXOUDJ-OAGGEKHMSA-N 2 1 277.456 3.156 20 30 CGEDMP C=CC[NH+](C/C=C/C[N@H+](CC=C)C(C)C)C(C)C ZINC000917167789 624248480 /nfs/dbraw/zinc/24/84/80/624248480.db2.gz ABXWWJKIQIGBJD-MDZDMXLPSA-N 2 1 250.430 3.335 20 30 CGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921684899 625831510 /nfs/dbraw/zinc/83/15/10/625831510.db2.gz DDKJKLLUSOFPFQ-ZDUSSCGKSA-N 2 1 296.418 3.106 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000921791077 625876264 /nfs/dbraw/zinc/87/62/64/625876264.db2.gz RCUOZLBHVRHGLE-AYHJJNSGSA-N 2 1 297.446 3.280 20 30 CGEDMP C#CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1ccccc1 ZINC000755047362 626598140 /nfs/dbraw/zinc/59/81/40/626598140.db2.gz FDSJZILZONIZEI-QGZVFWFLSA-N 2 1 258.409 3.073 20 30 CGEDMP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363930 627401725 /nfs/dbraw/zinc/40/17/25/627401725.db2.gz MDGBMBMXUDRGHC-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363930 627401727 /nfs/dbraw/zinc/40/17/27/627401727.db2.gz MDGBMBMXUDRGHC-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000767363930 627401728 /nfs/dbraw/zinc/40/17/28/627401728.db2.gz MDGBMBMXUDRGHC-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc21 ZINC000767363930 627401730 /nfs/dbraw/zinc/40/17/30/627401730.db2.gz MDGBMBMXUDRGHC-PKOBYXMFSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CCCC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773732247 627908488 /nfs/dbraw/zinc/90/84/88/627908488.db2.gz QSAKMAUENYFFKQ-UHFFFAOYSA-N 2 1 278.484 3.480 20 30 CGEDMP C#CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000817938109 632238186 /nfs/dbraw/zinc/23/81/86/632238186.db2.gz DQXYLVJVZVZXBK-HNNXBMFYSA-N 2 1 286.419 3.011 20 30 CGEDMP C#CCCCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000876559779 634858125 /nfs/dbraw/zinc/85/81/25/634858125.db2.gz HARQXRGSUMSEJV-UHFFFAOYSA-N 2 1 264.457 3.375 20 30 CGEDMP C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000877524719 635071928 /nfs/dbraw/zinc/07/19/28/635071928.db2.gz CTLGIFHGKWINHR-HNNXBMFYSA-N 2 1 273.424 3.120 20 30 CGEDMP C=CCC[C@H](COc1ccccc1)[NH2+]CCn1cc[nH+]c1C ZINC000883182466 636570205 /nfs/dbraw/zinc/57/02/05/636570205.db2.gz CQURDHZAXUNTEQ-QGZVFWFLSA-N 2 1 299.418 3.195 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000883192926 636576633 /nfs/dbraw/zinc/57/66/33/636576633.db2.gz KSTOUNACCGNENK-IAGOWNOFSA-N 2 1 291.439 3.075 20 30 CGEDMP C=CCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCC=C)CC1 ZINC000886389626 637522673 /nfs/dbraw/zinc/52/26/73/637522673.db2.gz QZRYTTRTMSPFLN-WKILWMFISA-N 2 1 250.430 3.313 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627002 /nfs/dbraw/zinc/62/70/02/637627002.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627011 /nfs/dbraw/zinc/62/70/11/637627011.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627019 /nfs/dbraw/zinc/62/70/19/637627019.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667333 638385833 /nfs/dbraw/zinc/38/58/33/638385833.db2.gz KZXPFYPFRWENOQ-QLFBSQMISA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000924667333 638385837 /nfs/dbraw/zinc/38/58/37/638385837.db2.gz KZXPFYPFRWENOQ-QLFBSQMISA-N 2 1 265.445 3.025 20 30 CGEDMP CSc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1C#N ZINC000925773641 638606822 /nfs/dbraw/zinc/60/68/22/638606822.db2.gz NXIYEKJMNWKJQF-CABCVRRESA-N 2 1 289.448 3.030 20 30 CGEDMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000925841419 638629960 /nfs/dbraw/zinc/62/99/60/638629960.db2.gz QYSJWBPQVRWREM-MSOLQXFVSA-N 2 1 277.371 3.101 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001253242512 806191968 /nfs/dbraw/zinc/19/19/68/806191968.db2.gz MISRAEARIFLYBQ-QGZVFWFLSA-N 2 1 284.488 3.148 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC001253248099 806195451 /nfs/dbraw/zinc/19/54/51/806195451.db2.gz QFNKUMMAWMGOKC-QZTJIDSGSA-N 2 1 296.499 3.195 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254658746 806478070 /nfs/dbraw/zinc/47/80/70/806478070.db2.gz XJCPMCACOIOWNB-TVFCKZIOSA-N 2 1 289.467 3.441 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000328088627 799250013 /nfs/dbraw/zinc/25/00/13/799250013.db2.gz IFROJWPUKDHGTG-RTBURBONSA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000328088627 799250019 /nfs/dbraw/zinc/25/00/19/799250019.db2.gz IFROJWPUKDHGTG-RTBURBONSA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000328088602 799250066 /nfs/dbraw/zinc/25/00/66/799250066.db2.gz IFROJWPUKDHGTG-OALUTQOASA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000328088602 799250070 /nfs/dbraw/zinc/25/00/70/799250070.db2.gz IFROJWPUKDHGTG-OALUTQOASA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000328109867 799250444 /nfs/dbraw/zinc/25/04/44/799250444.db2.gz NQBJTJJQPVORNJ-GFCCVEGCSA-N 2 1 282.790 3.085 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000695862731 799836024 /nfs/dbraw/zinc/83/60/24/799836024.db2.gz GJNVBTVRUFOVGO-AEFFLSMTSA-N 2 1 299.462 3.426 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716059 800179245 /nfs/dbraw/zinc/17/92/45/800179245.db2.gz ZHCDCGBIPNOUDN-OWLYRPNTSA-N 2 1 270.420 3.204 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)C[NH+](C)C)cc1 ZINC001163785044 806828137 /nfs/dbraw/zinc/82/81/37/806828137.db2.gz ASPYHQUAUASVHT-CRAIPNDOSA-N 2 1 287.451 3.372 20 30 CGEDMP C=CCCCC[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208186917 813735824 /nfs/dbraw/zinc/73/58/24/813735824.db2.gz AOWQVYHIFULABG-UHFFFAOYSA-N 2 1 252.446 3.397 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246019432 804100184 /nfs/dbraw/zinc/10/01/84/804100184.db2.gz HIAFDHKJWFFKSY-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001246019432 804100191 /nfs/dbraw/zinc/10/01/91/804100191.db2.gz HIAFDHKJWFFKSY-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246027148 804100614 /nfs/dbraw/zinc/10/06/14/804100614.db2.gz PDDBTPKTXXOLJI-KRWDZBQOSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246034390 804102978 /nfs/dbraw/zinc/10/29/78/804102978.db2.gz XCSKOWLHGFVIAP-ROUUACIJSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+]C[C@H]([NH3+])COC ZINC001246240080 804231926 /nfs/dbraw/zinc/23/19/26/804231926.db2.gz MDGAGSFNSIHGQH-HOTGVXAUSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCCC[C@@H](CC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300390 804266919 /nfs/dbraw/zinc/26/69/19/804266919.db2.gz NOXBJQYFOPLMFV-CABCVRRESA-N 3 1 257.466 3.129 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246321063 804280288 /nfs/dbraw/zinc/28/02/88/804280288.db2.gz AZBSNMZNIMEWHG-LSVZVQIISA-N 2 1 286.419 3.185 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C(C)(C)C1 ZINC001246327558 804283939 /nfs/dbraw/zinc/28/39/39/804283939.db2.gz OKOJCBDYEZZKMM-CABCVRRESA-N 2 1 288.435 3.433 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246411263 804325863 /nfs/dbraw/zinc/32/58/63/804325863.db2.gz AUIZDJXRBNQBTD-JKSUJKDBSA-N 2 1 284.488 3.482 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452760 804336195 /nfs/dbraw/zinc/33/61/95/804336195.db2.gz MDRVBNSVDCZIJA-QGZVFWFLSA-N 3 1 285.520 3.434 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246551972 804402614 /nfs/dbraw/zinc/40/26/14/804402614.db2.gz OBJQYUWGQSHGTM-CLYSKQOPSA-N 2 1 262.441 3.038 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246588244 804431141 /nfs/dbraw/zinc/43/11/41/804431141.db2.gz YFQVDJZCXQRFDP-ULQDDVLXSA-N 2 1 284.488 3.013 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)C[C@H](C1)C2 ZINC001246619239 804454161 /nfs/dbraw/zinc/45/41/61/804454161.db2.gz IDSPJROCKOUXMG-UJJTZGENSA-N 2 1 274.452 3.339 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246868604 804571415 /nfs/dbraw/zinc/57/14/15/804571415.db2.gz BFNRMMKWUYVEIZ-GJZGRUSLSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[N@@H+]([C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C(C)(C)C ZINC001246918942 804600977 /nfs/dbraw/zinc/60/09/77/804600977.db2.gz HWXUFBAHODQUGK-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CC)C[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246942205 804612670 /nfs/dbraw/zinc/61/26/70/804612670.db2.gz NLYPKHHXAOGGTN-PMRDEQMMSA-N 2 1 262.441 3.053 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926479 804784952 /nfs/dbraw/zinc/78/49/52/804784952.db2.gz RCMKCEGVGGABDS-UHFFFAOYSA-N 2 1 298.434 3.203 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2ccc([C@H](C)[NH3+])n2)cc1 ZINC001169237175 807611585 /nfs/dbraw/zinc/61/15/85/807611585.db2.gz LXHQDAKRMUIZRR-KBXCAEBGSA-N 2 1 296.418 3.215 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC[C@@H](C)[NH3+])cc1 ZINC001170894494 807927061 /nfs/dbraw/zinc/92/70/61/807927061.db2.gz IJKAQHMLNREMAU-PBHICJAKSA-N 2 1 273.424 3.159 20 30 CGEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130392 808185523 /nfs/dbraw/zinc/18/55/23/808185523.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130392 808185526 /nfs/dbraw/zinc/18/55/26/808185526.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130392 808185529 /nfs/dbraw/zinc/18/55/29/808185529.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 2 1 283.419 3.005 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001172292082 808217739 /nfs/dbraw/zinc/21/77/39/808217739.db2.gz CJDCGBQLSUOFJO-IRXDYDNUSA-N 2 1 299.462 3.343 20 30 CGEDMP CC(C)[N@@H+]([C@H](C)CCCC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488601 808348951 /nfs/dbraw/zinc/34/89/51/808348951.db2.gz VBTNMZNOWHRZHC-RBSFLKMASA-N 2 1 251.418 3.049 20 30 CGEDMP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001274962744 808895287 /nfs/dbraw/zinc/89/52/87/808895287.db2.gz UOMIEMDLPYHKHZ-UHFFFAOYSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCCCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001276036162 808985930 /nfs/dbraw/zinc/98/59/30/808985930.db2.gz PVPYWEVUAHZQKI-UHFFFAOYSA-N 2 1 250.430 3.151 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@H]1C[NH3+] ZINC001205617957 813029664 /nfs/dbraw/zinc/02/96/64/813029664.db2.gz PYPQLLVGEXPQBL-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@H]1C[NH3+] ZINC001205626672 813031930 /nfs/dbraw/zinc/03/19/30/813031930.db2.gz HWMIAPDHVAWGJZ-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901264 813122265 /nfs/dbraw/zinc/12/22/65/813122265.db2.gz CCMKBPOWNCEUDQ-HOTGVXAUSA-N 2 1 288.435 3.201 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012048 813165586 /nfs/dbraw/zinc/16/55/86/813165586.db2.gz IDVYPEABWVYPNV-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001206326472 813289888 /nfs/dbraw/zinc/28/98/88/813289888.db2.gz OABURDPPKUTMEC-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001206573473 813359133 /nfs/dbraw/zinc/35/91/33/813359133.db2.gz LOTITCNEZJFCEJ-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001206573473 813359139 /nfs/dbraw/zinc/35/91/39/813359139.db2.gz LOTITCNEZJFCEJ-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)CC1(C)CC[NH+](C)CC1 ZINC001208109626 813694671 /nfs/dbraw/zinc/69/46/71/813694671.db2.gz QLSBZGMPNYNZFK-UHFFFAOYSA-N 2 1 272.436 3.407 20 30 CGEDMP N#CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947845 813906065 /nfs/dbraw/zinc/90/60/65/813906065.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947845 813906073 /nfs/dbraw/zinc/90/60/73/813906073.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947845 813906083 /nfs/dbraw/zinc/90/60/83/813906083.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209161939 813953445 /nfs/dbraw/zinc/95/34/45/813953445.db2.gz PDOXPNNNNNKONM-UHFFFAOYSA-N 2 1 299.462 3.336 20 30 CGEDMP C=CCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209162928 813953787 /nfs/dbraw/zinc/95/37/87/813953787.db2.gz OWMAYUGIMQVXDX-HOTGVXAUSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209162928 813953792 /nfs/dbraw/zinc/95/37/92/813953792.db2.gz OWMAYUGIMQVXDX-HOTGVXAUSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209162928 813953796 /nfs/dbraw/zinc/95/37/96/813953796.db2.gz OWMAYUGIMQVXDX-HOTGVXAUSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209440675 814041501 /nfs/dbraw/zinc/04/15/01/814041501.db2.gz NSNWHXHNAZZNMQ-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292571 816398234 /nfs/dbraw/zinc/39/82/34/816398234.db2.gz GBANBAUNZGIMCV-UHFFFAOYSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222380240 816423395 /nfs/dbraw/zinc/42/33/95/816423395.db2.gz WOPFAAKQPYAVOF-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192648 819032506 /nfs/dbraw/zinc/03/25/06/819032506.db2.gz FPUTVFPOTLQEFX-IAGOWNOFSA-N 2 1 264.457 3.444 20 30 CGEDMP CCCCCCCC[N@@H+](C)CC1(F)CC[NH2+]CC1 ZINC001235664456 819131996 /nfs/dbraw/zinc/13/19/96/819131996.db2.gz UHJSHXDFRWTICY-UHFFFAOYSA-N 2 1 258.425 3.370 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235842211 819183098 /nfs/dbraw/zinc/18/30/98/819183098.db2.gz MRJMACIPOQWIEG-ZNFPLGDCSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235930261 819227745 /nfs/dbraw/zinc/22/77/45/819227745.db2.gz VKJMXBYGWZOURX-HZPDHXFCSA-N 2 1 250.430 3.054 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458832 819485908 /nfs/dbraw/zinc/48/59/08/819485908.db2.gz AKCQAASCEANVCH-UHFFFAOYSA-N 2 1 299.462 3.467 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478714 819495328 /nfs/dbraw/zinc/49/53/28/819495328.db2.gz MSEKGAOXGKDRFK-LJQANCHMSA-N 2 1 299.462 3.331 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236478714 819495331 /nfs/dbraw/zinc/49/53/31/819495331.db2.gz MSEKGAOXGKDRFK-LJQANCHMSA-N 2 1 299.462 3.331 20 30 CGEDMP C=CCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275484 819713686 /nfs/dbraw/zinc/71/36/86/819713686.db2.gz OGHXKGYRZPCLFV-UHFFFAOYSA-N 2 1 270.420 3.090 20 30 CGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240671760 821232159 /nfs/dbraw/zinc/23/21/59/821232159.db2.gz XTTHBXPMJUIPLB-SFHVURJKSA-N 2 1 268.404 3.386 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000328011058 926897891 /nfs/dbraw/zinc/89/78/91/926897891.db2.gz PXYDSIPQNRFINP-QGZVFWFLSA-N 2 1 272.436 3.218 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000328011058 926897903 /nfs/dbraw/zinc/89/79/03/926897903.db2.gz PXYDSIPQNRFINP-QGZVFWFLSA-N 2 1 272.436 3.218 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561052829 938292092 /nfs/dbraw/zinc/29/20/92/938292092.db2.gz MEJFWDXIOJTADE-LUKYLMHMSA-N 2 1 264.457 3.441 20 30 CGEDMP CC(C)[N@@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC001575690751 962411166 /nfs/dbraw/zinc/41/11/66/962411166.db2.gz OELVKTOIDUHLCR-UHFFFAOYSA-N 2 1 273.424 3.288 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC001576598278 962478196 /nfs/dbraw/zinc/47/81/96/962478196.db2.gz LKQRSRUJGCSVPC-YJBOKZPZSA-N 2 1 285.435 3.157 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CC[NH3+] ZINC001576709889 962488524 /nfs/dbraw/zinc/48/85/24/962488524.db2.gz WOQJXEFEQRETBP-HZPDHXFCSA-N 2 1 277.456 3.300 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404322 346985142 /nfs/dbraw/zinc/98/51/42/346985142.db2.gz XMFXXROJZBEGEP-NQYYFHDYSA-N 2 1 297.446 3.004 20 30 CGEDMP C=CCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821683 345860127 /nfs/dbraw/zinc/86/01/27/345860127.db2.gz DLROZVIULYCKJQ-UHFFFAOYSA-N 2 1 273.424 3.196 20 30 CGEDMP C[C@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711120 347829674 /nfs/dbraw/zinc/82/96/74/347829674.db2.gz RCWJIWFORNYZBU-WEOZKBJRSA-N 2 1 297.446 3.121 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602523289 347975307 /nfs/dbraw/zinc/97/53/07/347975307.db2.gz AGPFUCVDRFEXGA-IEBWSBKVSA-N 2 1 299.462 3.428 20 30 CGEDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602545035 347979072 /nfs/dbraw/zinc/97/90/72/347979072.db2.gz LPTQCVGVMRQLOD-CVEARBPZSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602545035 347979076 /nfs/dbraw/zinc/97/90/76/347979076.db2.gz LPTQCVGVMRQLOD-CVEARBPZSA-N 2 1 279.472 3.416 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000602948833 348047101 /nfs/dbraw/zinc/04/71/01/348047101.db2.gz FJMZVHZWQIWXPN-CVEARBPZSA-N 2 1 275.440 3.019 20 30 CGEDMP C=C(C)C[NH+](CC)CC(C)C[N@H+](CC)CC(=C)C ZINC000605572768 348162879 /nfs/dbraw/zinc/16/28/79/348162879.db2.gz NGKSBOKNKJGBLT-UHFFFAOYSA-N 2 1 252.446 3.419 20 30 CGEDMP Cc1cc(C#N)ccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000614402275 348674153 /nfs/dbraw/zinc/67/41/53/348674153.db2.gz QEFKKHNIPRFOOE-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000614402275 348674157 /nfs/dbraw/zinc/67/41/57/348674157.db2.gz QEFKKHNIPRFOOE-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000614402275 348674158 /nfs/dbraw/zinc/67/41/58/348674158.db2.gz QEFKKHNIPRFOOE-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000614402275 348674162 /nfs/dbraw/zinc/67/41/62/348674162.db2.gz QEFKKHNIPRFOOE-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000614402275 348674165 /nfs/dbraw/zinc/67/41/65/348674165.db2.gz QEFKKHNIPRFOOE-GOSISDBHSA-N 2 1 297.446 3.030 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271332789 191078921 /nfs/dbraw/zinc/07/89/21/191078921.db2.gz BIYNAVYXOYIXMB-OAHLLOKOSA-N 2 1 273.424 3.081 20 30 CGEDMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188608 235358815 /nfs/dbraw/zinc/35/88/15/235358815.db2.gz QMGOQRPCEUFHNG-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000130837955 371063942 /nfs/dbraw/zinc/06/39/42/371063942.db2.gz DXEXJVMAESFILF-INIZCTEOSA-N 2 1 279.472 3.416 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000130837955 371063951 /nfs/dbraw/zinc/06/39/51/371063951.db2.gz DXEXJVMAESFILF-INIZCTEOSA-N 2 1 279.472 3.416 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000153014671 371744023 /nfs/dbraw/zinc/74/40/23/371744023.db2.gz XOHMHOQBXWUPDV-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423174794 372004688 /nfs/dbraw/zinc/00/46/88/372004688.db2.gz BXSAJHRHESWUMG-GFCCVEGCSA-N 2 1 275.371 3.010 20 30 CGEDMP C=CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159033070 372100981 /nfs/dbraw/zinc/10/09/81/372100981.db2.gz AAFIGHYOYUUSKK-HNNXBMFYSA-N 2 1 250.430 3.149 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC#N)CC1 ZINC000159067191 372103776 /nfs/dbraw/zinc/10/37/76/372103776.db2.gz FVVHLMPZFDPXTC-MRXNPFEDSA-N 2 1 277.456 3.267 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689024 372375944 /nfs/dbraw/zinc/37/59/44/372375944.db2.gz CVBLFZUHYMPSCW-SQNIBIBYSA-N 2 1 289.467 3.267 20 30 CGEDMP C=CCC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000178684395 373803772 /nfs/dbraw/zinc/80/37/72/373803772.db2.gz HFXVNLBBQGGUAF-JZXOWHBKSA-N 2 1 294.483 3.210 20 30 CGEDMP C=CCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000449603893 373834058 /nfs/dbraw/zinc/83/40/58/373834058.db2.gz ILEVZRRICQCSJW-UHFFFAOYSA-N 2 1 293.480 3.431 20 30 CGEDMP C=CC[NH+](C)Cc1cc(C[N@H+](C)CC=C)ccc1F ZINC000450763000 374177607 /nfs/dbraw/zinc/17/76/07/374177607.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 2 1 262.372 3.061 20 30 CGEDMP C=CC[NH+](C)Cc1cc(C[N@@H+](C)CC=C)ccc1F ZINC000450763000 374177614 /nfs/dbraw/zinc/17/76/14/374177614.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 2 1 262.372 3.061 20 30 CGEDMP C=CC[NH+](C)Cc1ccc(F)c(C[N@H+](C)CC=C)c1 ZINC000450763000 374177621 /nfs/dbraw/zinc/17/76/21/374177621.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 2 1 262.372 3.061 20 30 CGEDMP C=CC[NH+](C)Cc1ccc(F)c(C[N@@H+](C)CC=C)c1 ZINC000450763000 374177625 /nfs/dbraw/zinc/17/76/25/374177625.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 2 1 262.372 3.061 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000183738088 374449004 /nfs/dbraw/zinc/44/90/04/374449004.db2.gz MJRGELZIGUZLCV-HOTGVXAUSA-N 2 1 264.457 3.443 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C(C)C)CC1 ZINC000468367913 374980387 /nfs/dbraw/zinc/98/03/87/374980387.db2.gz PZVVFARZUUQAKA-DLBZAZTESA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000516513565 375821160 /nfs/dbraw/zinc/82/11/60/375821160.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=C(C)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000516513565 375821166 /nfs/dbraw/zinc/82/11/66/375821166.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=C(C)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000516513565 375821175 /nfs/dbraw/zinc/82/11/75/375821175.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000193456515 375879622 /nfs/dbraw/zinc/87/96/22/375879622.db2.gz ZVPKHSCFSJVWCY-MRXNPFEDSA-N 2 1 275.440 3.421 20 30 CGEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432133 376755296 /nfs/dbraw/zinc/75/52/96/376755296.db2.gz CJWOHWCEVCUUHP-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432133 376755303 /nfs/dbraw/zinc/75/53/03/376755303.db2.gz CJWOHWCEVCUUHP-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432133 376755309 /nfs/dbraw/zinc/75/53/09/376755309.db2.gz CJWOHWCEVCUUHP-QGZVFWFLSA-N 2 1 277.456 3.124 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000562041404 377269250 /nfs/dbraw/zinc/26/92/50/377269250.db2.gz LTZPXKHEIRVMNF-HZPDHXFCSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248151065 377271430 /nfs/dbraw/zinc/27/14/30/377271430.db2.gz QTSXYPRWUFRFSS-DOTOQJQBSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248151065 377271437 /nfs/dbraw/zinc/27/14/37/377271437.db2.gz QTSXYPRWUFRFSS-DOTOQJQBSA-N 2 1 288.435 3.071 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000248766311 377398136 /nfs/dbraw/zinc/39/81/36/377398136.db2.gz GYGZMEDSXARUOW-VQIMIIECSA-N 2 1 297.446 3.107 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000248766311 377398144 /nfs/dbraw/zinc/39/81/44/377398144.db2.gz GYGZMEDSXARUOW-VQIMIIECSA-N 2 1 297.446 3.107 20 30 CGEDMP C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248742944 377394920 /nfs/dbraw/zinc/39/49/20/377394920.db2.gz ALTDIPCUSNCUAG-REPLKXPHSA-N 2 1 282.431 3.185 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249089511 377461480 /nfs/dbraw/zinc/46/14/80/377461480.db2.gz CSHZUQJDIFLQJQ-WMZOPIPTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249089511 377461484 /nfs/dbraw/zinc/46/14/84/377461484.db2.gz CSHZUQJDIFLQJQ-WMZOPIPTSA-N 2 1 297.446 3.427 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343720061 378075492 /nfs/dbraw/zinc/07/54/92/378075492.db2.gz AAPNJOHOTSCLCY-HNNXBMFYSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343720061 378075496 /nfs/dbraw/zinc/07/54/96/378075496.db2.gz AAPNJOHOTSCLCY-HNNXBMFYSA-N 2 1 250.430 3.291 20 30 CGEDMP C[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000343794088 378093101 /nfs/dbraw/zinc/09/31/01/378093101.db2.gz ZSDBEVKHUDRZDQ-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000343794088 378093103 /nfs/dbraw/zinc/09/31/03/378093103.db2.gz ZSDBEVKHUDRZDQ-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348223537 378847454 /nfs/dbraw/zinc/84/74/54/378847454.db2.gz TXMQGWXTLQRRHY-DOTOQJQBSA-N 2 1 285.435 3.036 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223537 378847460 /nfs/dbraw/zinc/84/74/60/378847460.db2.gz TXMQGWXTLQRRHY-DOTOQJQBSA-N 2 1 285.435 3.036 20 30 CGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC)CC1 ZINC000414299865 380209703 /nfs/dbraw/zinc/20/97/03/380209703.db2.gz KHONXECZDGOIGK-SFHVURJKSA-N 2 1 272.436 3.248 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189966841 130045462 /nfs/dbraw/zinc/04/54/62/130045462.db2.gz WPQPJCDPEGCVRK-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189966841 130045464 /nfs/dbraw/zinc/04/54/64/130045464.db2.gz WPQPJCDPEGCVRK-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836281 392339201 /nfs/dbraw/zinc/33/92/01/392339201.db2.gz DZLPJSBHDGFVRJ-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836281 392339206 /nfs/dbraw/zinc/33/92/06/392339206.db2.gz DZLPJSBHDGFVRJ-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836281 392339211 /nfs/dbraw/zinc/33/92/11/392339211.db2.gz DZLPJSBHDGFVRJ-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836281 392339219 /nfs/dbraw/zinc/33/92/19/392339219.db2.gz DZLPJSBHDGFVRJ-CJNGLKHVSA-N 2 1 289.398 3.002 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966530 392647411 /nfs/dbraw/zinc/64/74/11/392647411.db2.gz QAWNPIAHDHKHSF-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966530 392647415 /nfs/dbraw/zinc/64/74/15/392647415.db2.gz QAWNPIAHDHKHSF-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966530 392647420 /nfs/dbraw/zinc/64/74/20/392647420.db2.gz QAWNPIAHDHKHSF-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966530 392647424 /nfs/dbraw/zinc/64/74/24/392647424.db2.gz QAWNPIAHDHKHSF-DOTOQJQBSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782941 /nfs/dbraw/zinc/78/29/41/392782941.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782943 /nfs/dbraw/zinc/78/29/43/392782943.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782948 /nfs/dbraw/zinc/78/29/48/392782948.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249374 393316162 /nfs/dbraw/zinc/31/61/62/393316162.db2.gz MLJMUVFINADHJX-YJBOKZPZSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999379 542834960 /nfs/dbraw/zinc/83/49/60/542834960.db2.gz AKHKGBBWCZPKGG-MRXNPFEDSA-N 2 1 286.419 3.016 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401216 543708754 /nfs/dbraw/zinc/70/87/54/543708754.db2.gz JNMMSHYIRPCZDF-JYJNAYRXSA-N 2 1 262.441 3.031 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000661386402 419256587 /nfs/dbraw/zinc/25/65/87/419256587.db2.gz SMEDLHGVUXPNNW-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000657824734 419373210 /nfs/dbraw/zinc/37/32/10/419373210.db2.gz KMRCTYKEKRZLQI-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC)CC1 ZINC000657824737 419375024 /nfs/dbraw/zinc/37/50/24/419375024.db2.gz KMRCTYKEKRZLQI-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340371821 263120609 /nfs/dbraw/zinc/12/06/09/263120609.db2.gz QLCIMNAABWQDHH-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000340371821 263120608 /nfs/dbraw/zinc/12/06/08/263120608.db2.gz QLCIMNAABWQDHH-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340371821 263120610 /nfs/dbraw/zinc/12/06/10/263120610.db2.gz QLCIMNAABWQDHH-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000340371821 263120611 /nfs/dbraw/zinc/12/06/11/263120611.db2.gz QLCIMNAABWQDHH-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000414949167 263156487 /nfs/dbraw/zinc/15/64/87/263156487.db2.gz NDGIOILBTLVCEH-JSGCOSHPSA-N 2 1 294.826 3.135 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000340913265 263314301 /nfs/dbraw/zinc/31/43/01/263314301.db2.gz NSEXBCIULDLBKB-HNNXBMFYSA-N 2 1 275.440 3.419 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368564892 267186482 /nfs/dbraw/zinc/18/64/82/267186482.db2.gz XGUSFFSTHXGMKV-ARFHVFGLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC000531612369 328019115 /nfs/dbraw/zinc/01/91/15/328019115.db2.gz CJZJODLBWSDHQE-UHFFFAOYSA-N 2 1 278.465 3.495 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CC)CC1 ZINC000531720384 328028660 /nfs/dbraw/zinc/02/86/60/328028660.db2.gz BAJCNMXFRDGGND-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703079 328129953 /nfs/dbraw/zinc/12/99/53/328129953.db2.gz FVFAWITVZXRGLS-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703079 328129954 /nfs/dbraw/zinc/12/99/54/328129954.db2.gz FVFAWITVZXRGLS-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703079 328129955 /nfs/dbraw/zinc/12/99/55/328129955.db2.gz FVFAWITVZXRGLS-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715960 328216458 /nfs/dbraw/zinc/21/64/58/328216458.db2.gz XZSWVHHDLJFSOI-DOTOQJQBSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414694442 328214436 /nfs/dbraw/zinc/21/44/36/328214436.db2.gz SVQXVDIOBZNIEI-RDJZCZTQSA-N 2 1 288.435 3.071 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895708 329334772 /nfs/dbraw/zinc/33/47/72/329334772.db2.gz WLHWAMKJPGBLSG-MWDXBVQZSA-N 2 1 289.467 3.311 20 30 CGEDMP C=CCC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990904 330162915 /nfs/dbraw/zinc/16/29/15/330162915.db2.gz AIZIYRLHRNHNIL-OIISXLGYSA-N 2 1 258.409 3.424 20 30 CGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330458 330342100 /nfs/dbraw/zinc/34/21/00/330342100.db2.gz QRCJZSSKHZLWKA-GDAAHCPNSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330458 330342101 /nfs/dbraw/zinc/34/21/01/330342101.db2.gz QRCJZSSKHZLWKA-GDAAHCPNSA-N 2 1 297.446 3.179 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665048 332273651 /nfs/dbraw/zinc/27/36/51/332273651.db2.gz KCBALRZSORMWKP-ROUUACIJSA-N 2 1 282.431 3.185 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665048 332273652 /nfs/dbraw/zinc/27/36/52/332273652.db2.gz KCBALRZSORMWKP-ROUUACIJSA-N 2 1 282.431 3.185 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665049 332273691 /nfs/dbraw/zinc/27/36/91/332273691.db2.gz KCBALRZSORMWKP-ZWKOTPCHSA-N 2 1 282.431 3.185 20 30 CGEDMP C#C[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665049 332273693 /nfs/dbraw/zinc/27/36/93/332273693.db2.gz KCBALRZSORMWKP-ZWKOTPCHSA-N 2 1 282.431 3.185 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185221823 333136933 /nfs/dbraw/zinc/13/69/33/333136933.db2.gz GKWKTBRYTJMXIV-SJORKVTESA-N 2 1 294.483 3.209 20 30 CGEDMP CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCC1 ZINC000135144697 334117612 /nfs/dbraw/zinc/11/76/12/334117612.db2.gz RADNLWJRBFOGNK-OAHLLOKOSA-N 2 1 265.445 3.026 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248413228 334300795 /nfs/dbraw/zinc/30/07/95/334300795.db2.gz LBKWXSMZWFVPFN-GBESFXJTSA-N 2 1 297.446 3.180 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000248832236 334319025 /nfs/dbraw/zinc/31/90/25/334319025.db2.gz MQHWQLSMCACWPY-BMFZPTHFSA-N 2 1 265.445 3.025 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC(C)(C)C#N ZINC000191494370 528862723 /nfs/dbraw/zinc/86/27/23/528862723.db2.gz QLDQGQUUABMHLG-UHFFFAOYSA-N 2 1 290.455 3.487 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC(C)(C)C#N ZINC000191494370 528862724 /nfs/dbraw/zinc/86/27/24/528862724.db2.gz QLDQGQUUABMHLG-UHFFFAOYSA-N 2 1 290.455 3.487 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000895375461 619816987 /nfs/dbraw/zinc/81/69/87/619816987.db2.gz BNANXKGHBNPUIQ-BBRMVZONSA-N 2 1 291.464 3.172 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000895375461 619816988 /nfs/dbraw/zinc/81/69/88/619816988.db2.gz BNANXKGHBNPUIQ-BBRMVZONSA-N 2 1 291.464 3.172 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799736017 620303998 /nfs/dbraw/zinc/30/39/98/620303998.db2.gz GDKTWZUPCYPIKZ-QGZVFWFLSA-N 2 1 297.531 3.351 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924631083 620549029 /nfs/dbraw/zinc/54/90/29/620549029.db2.gz DPQCFHRVCRYFPP-ZFWWWQNUSA-N 2 1 267.461 3.271 20 30 CGEDMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000902363537 621290759 /nfs/dbraw/zinc/29/07/59/621290759.db2.gz WKGNILTWAAEIGO-IRXDYDNUSA-N 2 1 285.435 3.399 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818731 621454078 /nfs/dbraw/zinc/45/40/78/621454078.db2.gz POFNPEJVXFZXSA-XKQJLSEDSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818731 621454083 /nfs/dbraw/zinc/45/40/83/621454083.db2.gz POFNPEJVXFZXSA-XKQJLSEDSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818729 621454792 /nfs/dbraw/zinc/45/47/92/621454792.db2.gz POFNPEJVXFZXSA-JQFCIGGWSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902818729 621454797 /nfs/dbraw/zinc/45/47/97/621454797.db2.gz POFNPEJVXFZXSA-JQFCIGGWSA-N 2 1 271.408 3.082 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCCCC[NH3+] ZINC000903482947 621765655 /nfs/dbraw/zinc/76/56/55/621765655.db2.gz ZSYILVJFRUBHTI-UHFFFAOYSA-N 2 1 273.424 3.126 20 30 CGEDMP C#CCC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000922981253 626114590 /nfs/dbraw/zinc/11/45/90/626114590.db2.gz KIHXJFRCUPYHCF-UHFFFAOYSA-N 2 1 291.464 3.021 20 30 CGEDMP C#CCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000766905242 627369391 /nfs/dbraw/zinc/36/93/91/627369391.db2.gz ILHZJDRKGCPYBT-KRWDZBQOSA-N 2 1 276.468 3.376 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000815652088 631813408 /nfs/dbraw/zinc/81/34/08/631813408.db2.gz OHMLNCAZOAPAIR-SFHVURJKSA-N 2 1 270.420 3.073 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000815652088 631813409 /nfs/dbraw/zinc/81/34/09/631813409.db2.gz OHMLNCAZOAPAIR-SFHVURJKSA-N 2 1 270.420 3.073 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000815652087 631814354 /nfs/dbraw/zinc/81/43/54/631814354.db2.gz OHMLNCAZOAPAIR-GOSISDBHSA-N 2 1 270.420 3.073 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000815652087 631814356 /nfs/dbraw/zinc/81/43/56/631814356.db2.gz OHMLNCAZOAPAIR-GOSISDBHSA-N 2 1 270.420 3.073 20 30 CGEDMP C=CCCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848563357 636607784 /nfs/dbraw/zinc/60/77/84/636607784.db2.gz RZEABRXFRVFTHG-UHFFFAOYSA-N 2 1 267.442 3.041 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000929699322 638942446 /nfs/dbraw/zinc/94/24/46/638942446.db2.gz LCVYFHMCMSTXKM-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000929699322 638942449 /nfs/dbraw/zinc/94/24/49/638942449.db2.gz LCVYFHMCMSTXKM-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000929699322 638942451 /nfs/dbraw/zinc/94/24/51/638942451.db2.gz LCVYFHMCMSTXKM-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967428 /nfs/dbraw/zinc/96/74/28/638967428.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 2 1 299.462 3.337 20 30 CGEDMP CCCCCCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000303871575 640845975 /nfs/dbraw/zinc/84/59/75/640845975.db2.gz BRZCGJAHGFSSMT-MRXNPFEDSA-N 2 1 296.503 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252136400 806021446 /nfs/dbraw/zinc/02/14/46/806021446.db2.gz PMEQWGTYXDVFQN-ROUUACIJSA-N 2 1 298.515 3.419 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381453895 799379272 /nfs/dbraw/zinc/37/92/72/799379272.db2.gz YXHPMKFQQBUXCI-QGZVFWFLSA-N 2 1 290.838 3.336 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000381453895 799379279 /nfs/dbraw/zinc/37/92/79/799379279.db2.gz YXHPMKFQQBUXCI-QGZVFWFLSA-N 2 1 290.838 3.336 20 30 CGEDMP CC(Nc1[nH]ccc2nccc1-2)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163466999 806767405 /nfs/dbraw/zinc/76/74/05/806767405.db2.gz XFLDYBNWXHIPMH-UHFFFAOYSA-N 2 1 293.374 3.052 20 30 CGEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCCCC#N)C2 ZINC000702261008 799906586 /nfs/dbraw/zinc/90/65/86/799906586.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP C[C@]12C[NH+](CCCCC#N)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702261008 799906590 /nfs/dbraw/zinc/90/65/90/799906590.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP C[C@]12C[NH+](CCCCC#N)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702261008 799906596 /nfs/dbraw/zinc/90/65/96/799906596.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246027827 804099492 /nfs/dbraw/zinc/09/94/92/804099492.db2.gz YTJUUYQXPPJDTN-BZSNNMDCSA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020782 804099649 /nfs/dbraw/zinc/09/96/49/804099649.db2.gz MATSXLHZQORHCC-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001246034388 804103105 /nfs/dbraw/zinc/10/31/05/804103105.db2.gz XCSKOWLHGFVIAP-QZTJIDSGSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135996 804160194 /nfs/dbraw/zinc/16/01/94/804160194.db2.gz UGHJOIKELUPJCU-XHSDSOJGSA-N 2 1 252.446 3.467 20 30 CGEDMP CCCCCCCC[N@@H+](CCN)C1CCC([NH2+]C)CC1 ZINC001246312613 804273552 /nfs/dbraw/zinc/27/35/52/804273552.db2.gz WNHXUOZYOAABJR-UHFFFAOYSA-N 2 1 283.504 3.138 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246329718 804284930 /nfs/dbraw/zinc/28/49/30/804284930.db2.gz WQVSTQPADQPZJE-HRCADAONSA-N 2 1 288.435 3.433 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246630512 804460834 /nfs/dbraw/zinc/46/08/34/804460834.db2.gz PDTJRWYBUJZTDN-WFFDWFOESA-N 2 1 274.452 3.197 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246643566 804470728 /nfs/dbraw/zinc/47/07/28/804470728.db2.gz PCJNRTZLBGXOMW-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246688016 804497578 /nfs/dbraw/zinc/49/75/78/804497578.db2.gz YSOZCMFAQYTHOG-QRQLOZEOSA-N 2 1 284.447 3.420 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246790986 804514208 /nfs/dbraw/zinc/51/42/08/804514208.db2.gz FWTCWBJHUDFYTF-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC001246790986 804514213 /nfs/dbraw/zinc/51/42/13/804514213.db2.gz FWTCWBJHUDFYTF-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001246847860 804557528 /nfs/dbraw/zinc/55/75/28/804557528.db2.gz SXEHVDLDTHNJLH-HRCADAONSA-N 2 1 252.446 3.277 20 30 CGEDMP C[NH2+]C[C@H]1CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937973 804609067 /nfs/dbraw/zinc/60/90/67/804609067.db2.gz KUCCHPCTRSJQPF-CTWPCTMYSA-N 2 1 297.446 3.268 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001167824319 807256376 /nfs/dbraw/zinc/25/63/76/807256376.db2.gz DJXNXPDZGNWKBB-HOTGVXAUSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CCCCC[N@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258017742 807266356 /nfs/dbraw/zinc/26/63/56/807266356.db2.gz NPOKVDQOGZAHNT-UHFFFAOYSA-N 2 1 252.446 3.395 20 30 CGEDMP C#C[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147151 807319730 /nfs/dbraw/zinc/31/97/30/807319730.db2.gz HIVXYPKHFGZQCT-SFHVURJKSA-N 2 1 296.458 3.039 20 30 CGEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147151 807319739 /nfs/dbraw/zinc/31/97/39/807319739.db2.gz HIVXYPKHFGZQCT-SFHVURJKSA-N 2 1 296.458 3.039 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC([NH+](C)C)CC1 ZINC001168324170 807383354 /nfs/dbraw/zinc/38/33/54/807383354.db2.gz IKKJUUYDWCROCL-AFMYVXGZSA-N 2 1 296.458 3.482 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170061064 807743467 /nfs/dbraw/zinc/74/34/67/807743467.db2.gz ZKFSNQOZQYQGGW-QGZVFWFLSA-N 2 1 287.451 3.183 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001171182045 808002595 /nfs/dbraw/zinc/00/25/95/808002595.db2.gz RZUMCSGUBDTUBA-IAGOWNOFSA-N 2 1 299.462 3.343 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963945 808161934 /nfs/dbraw/zinc/16/19/34/808161934.db2.gz GCUKXVUXLSUPFH-KRWDZBQOSA-N 2 1 284.447 3.431 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963945 808161938 /nfs/dbraw/zinc/16/19/38/808161938.db2.gz GCUKXVUXLSUPFH-KRWDZBQOSA-N 2 1 284.447 3.431 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172290616 808216358 /nfs/dbraw/zinc/21/63/58/808216358.db2.gz QYAWUENXHDJWPQ-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172290616 808216368 /nfs/dbraw/zinc/21/63/68/808216368.db2.gz QYAWUENXHDJWPQ-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172485710 808347187 /nfs/dbraw/zinc/34/71/87/808347187.db2.gz SPBQCXLPMMFUDK-QGZVFWFLSA-N 2 1 299.462 3.365 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173334831 808617751 /nfs/dbraw/zinc/61/77/51/808617751.db2.gz YTSLMOIHHCTFKF-GPANFISMSA-N 2 1 277.456 3.311 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173334831 808617756 /nfs/dbraw/zinc/61/77/56/808617756.db2.gz YTSLMOIHHCTFKF-GPANFISMSA-N 2 1 277.456 3.311 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC001173591178 808648276 /nfs/dbraw/zinc/64/82/76/808648276.db2.gz VIBRJULHWAHFSH-AQRZSSMZSA-N 2 1 275.440 3.064 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C2 ZINC001173591178 808648279 /nfs/dbraw/zinc/64/82/79/808648279.db2.gz VIBRJULHWAHFSH-AQRZSSMZSA-N 2 1 275.440 3.064 20 30 CGEDMP N#CCCCC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277949299 809108530 /nfs/dbraw/zinc/10/85/30/809108530.db2.gz VMZFKXBTYXAHFL-CALCHBBNSA-N 2 1 289.467 3.267 20 30 CGEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277949299 809108532 /nfs/dbraw/zinc/10/85/32/809108532.db2.gz VMZFKXBTYXAHFL-CALCHBBNSA-N 2 1 289.467 3.267 20 30 CGEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277949299 809108536 /nfs/dbraw/zinc/10/85/36/809108536.db2.gz VMZFKXBTYXAHFL-CALCHBBNSA-N 2 1 289.467 3.267 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175349134 809371285 /nfs/dbraw/zinc/37/12/85/809371285.db2.gz CQHMAXDSULTGBL-INIZCTEOSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205296429 812938277 /nfs/dbraw/zinc/93/82/77/812938277.db2.gz PETIEAWBYLODMP-HOTGVXAUSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205627641 813033697 /nfs/dbraw/zinc/03/36/97/813033697.db2.gz RFKQQNKPGGXPIT-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205638701 813037442 /nfs/dbraw/zinc/03/74/42/813037442.db2.gz RBKZPJPUOJTLFO-NVXWUHKLSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205760531 813069422 /nfs/dbraw/zinc/06/94/22/813069422.db2.gz BBESEEMADDHNFW-AWEZNQCLSA-N 2 1 274.399 3.429 20 30 CGEDMP CCCCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939885 813141976 /nfs/dbraw/zinc/14/19/76/813141976.db2.gz VIFNWLURIDKBDW-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@H]1C[NH3+] ZINC001206002856 813161021 /nfs/dbraw/zinc/16/10/21/813161021.db2.gz CAIXKIDCJLUJRN-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206153764 813216302 /nfs/dbraw/zinc/21/63/02/813216302.db2.gz FNGKDBVONFWEIE-OAGGEKHMSA-N 2 1 266.404 3.050 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206153764 813216306 /nfs/dbraw/zinc/21/63/06/813216306.db2.gz FNGKDBVONFWEIE-OAGGEKHMSA-N 2 1 266.404 3.050 20 30 CGEDMP CC[N@@H+](CCC#N)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290336 813536886 /nfs/dbraw/zinc/53/68/86/813536886.db2.gz AEGKIQIUKOGLFW-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+]1CCC(CC[N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001207480127 813572880 /nfs/dbraw/zinc/57/28/80/813572880.db2.gz UPYSMGGAZZPJAW-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C[NH+]1CCC(CC[N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001207480127 813572884 /nfs/dbraw/zinc/57/28/84/813572884.db2.gz UPYSMGGAZZPJAW-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001208178829 813730805 /nfs/dbraw/zinc/73/08/05/813730805.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 2 1 274.452 3.317 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001208178829 813730807 /nfs/dbraw/zinc/73/08/07/813730807.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 2 1 274.452 3.317 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC001208178829 813730809 /nfs/dbraw/zinc/73/08/09/813730809.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 2 1 274.452 3.317 20 30 CGEDMP C=CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209199751 813963740 /nfs/dbraw/zinc/96/37/40/813963740.db2.gz AJWIWXNEQJEBGB-IYBDPMFKSA-N 2 1 290.476 3.468 20 30 CGEDMP C=CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209199751 813963750 /nfs/dbraw/zinc/96/37/50/813963750.db2.gz AJWIWXNEQJEBGB-IYBDPMFKSA-N 2 1 290.476 3.468 20 30 CGEDMP C=CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209199751 813963756 /nfs/dbraw/zinc/96/37/56/813963756.db2.gz AJWIWXNEQJEBGB-IYBDPMFKSA-N 2 1 290.476 3.468 20 30 CGEDMP C=CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209199751 813963765 /nfs/dbraw/zinc/96/37/65/813963765.db2.gz AJWIWXNEQJEBGB-IYBDPMFKSA-N 2 1 290.476 3.468 20 30 CGEDMP C#CCCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209267801 813989804 /nfs/dbraw/zinc/98/98/04/813989804.db2.gz KNPRUCUVCCSHAD-UHFFFAOYSA-N 2 1 288.410 3.135 20 30 CGEDMP C#CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209267801 813989809 /nfs/dbraw/zinc/98/98/09/813989809.db2.gz KNPRUCUVCCSHAD-UHFFFAOYSA-N 2 1 288.410 3.135 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161927 816365566 /nfs/dbraw/zinc/36/55/66/816365566.db2.gz UADJNAHSBBBGII-MRXNPFEDSA-N 2 1 250.430 3.198 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222302828 816401071 /nfs/dbraw/zinc/40/10/71/816401071.db2.gz AHOBQAIKHRSWAL-UHFFFAOYSA-N 2 1 297.446 3.229 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595556 816474669 /nfs/dbraw/zinc/47/46/69/816474669.db2.gz CREWDNLEZSEKKO-SFHVURJKSA-N 2 1 284.447 3.422 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001232146221 818264025 /nfs/dbraw/zinc/26/40/25/818264025.db2.gz MGVCEVAXOCQBBV-CQSZACIVSA-N 2 1 289.398 3.013 20 30 CGEDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001232146221 818264033 /nfs/dbraw/zinc/26/40/33/818264033.db2.gz MGVCEVAXOCQBBV-CQSZACIVSA-N 2 1 289.398 3.013 20 30 CGEDMP N#Cc1cccc(CCC[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172260 819022749 /nfs/dbraw/zinc/02/27/49/819022749.db2.gz LAFODVMIGRZCPY-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1cccc(CCC[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172260 819022757 /nfs/dbraw/zinc/02/27/57/819022757.db2.gz LAFODVMIGRZCPY-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235256722 819052672 /nfs/dbraw/zinc/05/26/72/819052672.db2.gz SVBKXWDAVVONPB-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235411028 819089453 /nfs/dbraw/zinc/08/94/53/819089453.db2.gz ZSFUCMXGXZDUCW-KZNAEPCWSA-N 2 1 292.442 3.313 20 30 CGEDMP CCCCCCC[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235661930 819132526 /nfs/dbraw/zinc/13/25/26/819132526.db2.gz ANKNLWBGUBHZLY-AWEZNQCLSA-N 2 1 256.434 3.003 20 30 CGEDMP CCCCCCC[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001235661930 819132527 /nfs/dbraw/zinc/13/25/27/819132527.db2.gz ANKNLWBGUBHZLY-AWEZNQCLSA-N 2 1 256.434 3.003 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001235962553 819250792 /nfs/dbraw/zinc/25/07/92/819250792.db2.gz NIDZNHXWTOABEO-UHFFFAOYSA-N 2 1 258.409 3.064 20 30 CGEDMP C=CCCCCCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236081840 819306024 /nfs/dbraw/zinc/30/60/24/819306024.db2.gz IAWOXBGFVLNIKW-UHFFFAOYSA-N 2 1 295.515 3.130 20 30 CGEDMP N#Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236372727 819441755 /nfs/dbraw/zinc/44/17/55/819441755.db2.gz CYIAIVIBYUSBRJ-SFHVURJKSA-N 2 1 297.446 3.302 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001473927262 937830968 /nfs/dbraw/zinc/83/09/68/937830968.db2.gz ZNKYAVZLRWNYRD-OWCLPIDISA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561052447 938291976 /nfs/dbraw/zinc/29/19/76/938291976.db2.gz BEJGMXBHCLVRHO-CAOSSQGBSA-N 2 1 250.430 3.051 20 30 CGEDMP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC001577672270 960479471 /nfs/dbraw/zinc/47/94/71/960479471.db2.gz WPRBTPOLINNLKN-WMLDXEAASA-N 2 1 273.424 3.172 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001579553779 962635549 /nfs/dbraw/zinc/63/55/49/962635549.db2.gz BLVSFDARXXIMFQ-SFHVURJKSA-N 2 1 285.435 3.064 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000651706047 398272065 /nfs/dbraw/zinc/27/20/65/398272065.db2.gz QGWFMFPCKFONEL-BRWVUGGUSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623521165 349825840 /nfs/dbraw/zinc/82/58/40/349825840.db2.gz MBDFSCUULQWJJV-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623521165 349825843 /nfs/dbraw/zinc/82/58/43/349825843.db2.gz MBDFSCUULQWJJV-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623654534 349856678 /nfs/dbraw/zinc/85/66/78/349856678.db2.gz BVMRKYJNBDFULG-KRWDZBQOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000091587626 345818582 /nfs/dbraw/zinc/81/85/82/345818582.db2.gz LCENPBOACRUSPU-HOTGVXAUSA-N 2 1 252.446 3.395 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734669 346624959 /nfs/dbraw/zinc/62/49/59/346624959.db2.gz SLTGRGKIYQQQHC-FUHWJXTLSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069293 347714010 /nfs/dbraw/zinc/71/40/10/347714010.db2.gz FKFNZXZYXKICKQ-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069293 347714012 /nfs/dbraw/zinc/71/40/12/347714012.db2.gz FKFNZXZYXKICKQ-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602543314 347979047 /nfs/dbraw/zinc/97/90/47/347979047.db2.gz ANYSPYRLEUGFRG-OFLPRAFFSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602543314 347979052 /nfs/dbraw/zinc/97/90/52/347979052.db2.gz ANYSPYRLEUGFRG-OFLPRAFFSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2CC)CC1 ZINC000628212172 350442557 /nfs/dbraw/zinc/44/25/57/350442557.db2.gz QPMPTLAOLAHHKM-CVEARBPZSA-N 2 1 264.457 3.443 20 30 CGEDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196843 235360917 /nfs/dbraw/zinc/36/09/17/235360917.db2.gz VKYQMXJSYRCGBE-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092565245 370097565 /nfs/dbraw/zinc/09/75/65/370097565.db2.gz GXUMJEHTHSQBEM-CABCVRRESA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC000106246395 370351841 /nfs/dbraw/zinc/35/18/41/370351841.db2.gz XHXKYMFEFMFQPQ-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926771 372250734 /nfs/dbraw/zinc/25/07/34/372250734.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292926771 372250738 /nfs/dbraw/zinc/25/07/38/372250738.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292926771 372250740 /nfs/dbraw/zinc/25/07/40/372250740.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926771 372250742 /nfs/dbraw/zinc/25/07/42/372250742.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000294966405 372682894 /nfs/dbraw/zinc/68/28/94/372682894.db2.gz GCMYPMOYAZBPQN-CYBMUJFWSA-N 2 1 294.389 3.308 20 30 CGEDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442711467 373068479 /nfs/dbraw/zinc/06/84/79/373068479.db2.gz RWJOZGMKRGADCC-APWZRJJASA-N 2 1 297.446 3.241 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442773370 373075544 /nfs/dbraw/zinc/07/55/44/373075544.db2.gz CJDCJZAXHJGYCI-QAPCUYQASA-N 2 1 285.435 3.309 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531267 373445145 /nfs/dbraw/zinc/44/51/45/373445145.db2.gz QNUSASIMSBUDSK-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249280026 377485000 /nfs/dbraw/zinc/48/50/00/377485000.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249280026 377485006 /nfs/dbraw/zinc/48/50/06/377485006.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249280026 377485011 /nfs/dbraw/zinc/48/50/11/377485011.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 2 1 283.419 3.035 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000570038345 377532183 /nfs/dbraw/zinc/53/21/83/377532183.db2.gz YNLBWYUQBQYKQR-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346682646 378675337 /nfs/dbraw/zinc/67/53/37/378675337.db2.gz OHYXBPPQJGNMRP-QGZVFWFLSA-N 2 1 276.424 3.057 20 30 CGEDMP C#CCCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272717779 378693586 /nfs/dbraw/zinc/69/35/86/378693586.db2.gz DSYVXBXTPIXTBS-MJGOQNOKSA-N 2 1 284.447 3.290 20 30 CGEDMP C=CCOCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000348026638 378757307 /nfs/dbraw/zinc/75/73/07/378757307.db2.gz FGWOYLVQAVQKAH-ROUUACIJSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000348026638 378757313 /nfs/dbraw/zinc/75/73/13/378757313.db2.gz FGWOYLVQAVQKAH-ROUUACIJSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000348026638 378757324 /nfs/dbraw/zinc/75/73/24/378757324.db2.gz FGWOYLVQAVQKAH-ROUUACIJSA-N 2 1 294.483 3.166 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812572 378708315 /nfs/dbraw/zinc/70/83/15/378708315.db2.gz NQZLRKLRJFPVOP-GOEBONIOSA-N 2 1 278.827 3.239 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812572 378708321 /nfs/dbraw/zinc/70/83/21/378708321.db2.gz NQZLRKLRJFPVOP-GOEBONIOSA-N 2 1 278.827 3.239 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000274791569 378897073 /nfs/dbraw/zinc/89/70/73/378897073.db2.gz CAZPCNRTWFJFKX-SJLPKXTDSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277383327 379146982 /nfs/dbraw/zinc/14/69/82/379146982.db2.gz YKAASGIKDNWXIO-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277383327 379146985 /nfs/dbraw/zinc/14/69/85/379146985.db2.gz YKAASGIKDNWXIO-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894599 379347296 /nfs/dbraw/zinc/34/72/96/379347296.db2.gz XMSIHABTZRSGJN-RYRKJORJSA-N 2 1 289.467 3.455 20 30 CGEDMP C=CCN(Cc1c(C)cc(C)nc1C)[C@@H](C)COC ZINC000639784856 379583733 /nfs/dbraw/zinc/58/37/33/379583733.db2.gz PGXRFSDOGHGKOF-AWEZNQCLSA-N 2 1 262.397 3.030 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414310117 380212573 /nfs/dbraw/zinc/21/25/73/380212573.db2.gz WBBRMFIYEPLVIN-QYZOEREBSA-N 2 1 284.447 3.390 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420298284 380846061 /nfs/dbraw/zinc/84/60/61/380846061.db2.gz DWBMXWOLUUJFPN-CQSZACIVSA-N 2 1 264.438 3.126 20 30 CGEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358337017 381306628 /nfs/dbraw/zinc/30/66/28/381306628.db2.gz DWKPNLCRQDCVNC-FHLIZLRMSA-N 2 1 283.419 3.104 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659596 381608378 /nfs/dbraw/zinc/60/83/78/381608378.db2.gz ZAHSTNSQRKFZIZ-LSBZLQRGSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659596 381608383 /nfs/dbraw/zinc/60/83/83/381608383.db2.gz ZAHSTNSQRKFZIZ-LSBZLQRGSA-N 2 1 297.446 3.398 20 30 CGEDMP N#CCc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000575045849 335058578 /nfs/dbraw/zinc/05/85/78/335058578.db2.gz UYZONKOHNRYFQN-UHFFFAOYSA-N 2 1 297.446 3.249 20 30 CGEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000290078120 392440116 /nfs/dbraw/zinc/44/01/16/392440116.db2.gz QMPMXODGANMBBF-LJQANCHMSA-N 2 1 282.431 3.118 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000290078120 392440121 /nfs/dbraw/zinc/44/01/21/392440121.db2.gz QMPMXODGANMBBF-LJQANCHMSA-N 2 1 282.431 3.118 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290579169 392450886 /nfs/dbraw/zinc/45/08/86/392450886.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290579169 392450893 /nfs/dbraw/zinc/45/08/93/392450893.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290579169 392450899 /nfs/dbraw/zinc/45/08/99/392450899.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290579169 392450903 /nfs/dbraw/zinc/45/09/03/392450903.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 2 1 288.435 3.023 20 30 CGEDMP C[NH+]1CCC2(CCC[N@@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000367198689 392473522 /nfs/dbraw/zinc/47/35/22/392473522.db2.gz FBZZGQOBXVZFBV-UHFFFAOYSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460875 /nfs/dbraw/zinc/46/08/75/393460875.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460880 /nfs/dbraw/zinc/46/08/80/393460880.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460887 /nfs/dbraw/zinc/46/08/87/393460887.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP C=CC[N@@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000359206972 393540946 /nfs/dbraw/zinc/54/09/46/393540946.db2.gz HVBDGLNDWMKLBI-UHFFFAOYSA-N 2 1 264.438 3.126 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000661386414 419256985 /nfs/dbraw/zinc/25/69/85/419256985.db2.gz SMEDLHGVUXPNNW-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228375 419686139 /nfs/dbraw/zinc/68/61/39/419686139.db2.gz IIWUWWGJUFCIBH-HUUCEWRRSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228375 419686149 /nfs/dbraw/zinc/68/61/49/419686149.db2.gz IIWUWWGJUFCIBH-HUUCEWRRSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414687803 263032472 /nfs/dbraw/zinc/03/24/72/263032472.db2.gz IFLXBUHDKLETKW-FUHWJXTLSA-N 2 1 272.436 3.105 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368564894 267186454 /nfs/dbraw/zinc/18/64/54/267186454.db2.gz XGUSFFSTHXGMKV-JYJNAYRXSA-N 2 1 250.430 3.338 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707612 276230726 /nfs/dbraw/zinc/23/07/26/276230726.db2.gz NGQFEDXVEKQCEO-MDASCCDHSA-N 2 1 297.446 3.256 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977541 278306074 /nfs/dbraw/zinc/30/60/74/278306074.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977541 278306075 /nfs/dbraw/zinc/30/60/75/278306075.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977541 278306076 /nfs/dbraw/zinc/30/60/76/278306076.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CC)CC1 ZINC000531720387 328028587 /nfs/dbraw/zinc/02/85/87/328028587.db2.gz BAJCNMXFRDGGND-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559845887 327264713 /nfs/dbraw/zinc/26/47/13/327264713.db2.gz XEGQQEJKYDJSSN-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559845887 327264714 /nfs/dbraw/zinc/26/47/14/327264714.db2.gz XEGQQEJKYDJSSN-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000378402582 329049173 /nfs/dbraw/zinc/04/91/73/329049173.db2.gz MJRTUWUUSHYIIQ-SOLBZPMBSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000378402582 329049174 /nfs/dbraw/zinc/04/91/74/329049174.db2.gz MJRTUWUUSHYIIQ-SOLBZPMBSA-N 2 1 272.436 3.451 20 30 CGEDMP CC(C)(CC#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459739791 331297281 /nfs/dbraw/zinc/29/72/81/331297281.db2.gz ZHTVQDNKSLFNBY-UHFFFAOYSA-N 2 1 299.462 3.223 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536273 332231848 /nfs/dbraw/zinc/23/18/48/332231848.db2.gz IXVIOBYWXAMIKH-MOPGFXCFSA-N 2 1 296.458 3.431 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536273 332231849 /nfs/dbraw/zinc/23/18/49/332231849.db2.gz IXVIOBYWXAMIKH-MOPGFXCFSA-N 2 1 296.458 3.431 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930601560 619028079 /nfs/dbraw/zinc/02/80/79/619028079.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930601560 619028084 /nfs/dbraw/zinc/02/80/84/619028084.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000930601560 619028087 /nfs/dbraw/zinc/02/80/87/619028087.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 2 1 297.446 3.093 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2[C@@H](C)CC[C@@H]2C)CC1 ZINC000924988436 619477770 /nfs/dbraw/zinc/47/77/70/619477770.db2.gz RTULEOCMPXVMTG-KBPBESRZSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000895375464 619817379 /nfs/dbraw/zinc/81/73/79/619817379.db2.gz BNANXKGHBNPUIQ-XJKSGUPXSA-N 2 1 291.464 3.172 20 30 CGEDMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000895375464 619817382 /nfs/dbraw/zinc/81/73/82/619817382.db2.gz BNANXKGHBNPUIQ-XJKSGUPXSA-N 2 1 291.464 3.172 20 30 CGEDMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000902363538 621290944 /nfs/dbraw/zinc/29/09/44/621290944.db2.gz WKGNILTWAAEIGO-SJORKVTESA-N 2 1 285.435 3.399 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@]1(C)CCCCO1 ZINC000902819777 621456134 /nfs/dbraw/zinc/45/61/34/621456134.db2.gz WYFRVHQCOQWDAO-XWTMOSNGSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@]1(C)CCCCO1 ZINC000902819777 621456136 /nfs/dbraw/zinc/45/61/36/621456136.db2.gz WYFRVHQCOQWDAO-XWTMOSNGSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201690 621624923 /nfs/dbraw/zinc/62/49/23/621624923.db2.gz ZVMYWHHICDSIGX-VHRNVKJDSA-N 2 1 280.481 3.043 20 30 CGEDMP N#CC1CCC(C[N@H+](CCC[NH3+])Cc2ccccc2)CC1 ZINC000903450625 621760422 /nfs/dbraw/zinc/76/04/22/621760422.db2.gz YOZBHEJDHHITQH-UHFFFAOYSA-N 2 1 285.435 3.167 20 30 CGEDMP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363927 627401774 /nfs/dbraw/zinc/40/17/74/627401774.db2.gz MDGBMBMXUDRGHC-HKUYNNGSSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363927 627401776 /nfs/dbraw/zinc/40/17/76/627401776.db2.gz MDGBMBMXUDRGHC-HKUYNNGSSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000767363927 627401778 /nfs/dbraw/zinc/40/17/78/627401778.db2.gz MDGBMBMXUDRGHC-HKUYNNGSSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000767363927 627401779 /nfs/dbraw/zinc/40/17/79/627401779.db2.gz MDGBMBMXUDRGHC-HKUYNNGSSA-N 2 1 282.431 3.093 20 30 CGEDMP c1cnn([NH+]=C2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]23)c1 ZINC000863163763 629486714 /nfs/dbraw/zinc/48/67/14/629486714.db2.gz OOLRGKYMFAJBAL-WMZOPIPTSA-N 2 1 294.402 3.162 20 30 CGEDMP c1cnn([NH+]=C2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]23)c1 ZINC000863163763 629486722 /nfs/dbraw/zinc/48/67/22/629486722.db2.gz OOLRGKYMFAJBAL-WMZOPIPTSA-N 2 1 294.402 3.162 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000815652491 631814429 /nfs/dbraw/zinc/81/44/29/631814429.db2.gz FKIQZZLBWCDPCV-RTBURBONSA-N 2 1 284.447 3.176 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000815652491 631814431 /nfs/dbraw/zinc/81/44/31/631814431.db2.gz FKIQZZLBWCDPCV-RTBURBONSA-N 2 1 284.447 3.176 20 30 CGEDMP C#C[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000824363757 633236004 /nfs/dbraw/zinc/23/60/04/633236004.db2.gz IZHLEXNQNRWSLJ-AWEZNQCLSA-N 2 1 264.457 3.277 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000102781375 634884514 /nfs/dbraw/zinc/88/45/14/634884514.db2.gz ATQBNKPJOUVMMZ-UHFFFAOYSA-N 2 1 273.424 3.160 20 30 CGEDMP C=CCCC(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850417016 637053867 /nfs/dbraw/zinc/05/38/67/637053867.db2.gz LFWFFAFKGWVFOA-UHFFFAOYSA-N 2 1 267.442 3.039 20 30 CGEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCC(C#N)CC1 ZINC000929722808 638945469 /nfs/dbraw/zinc/94/54/69/638945469.db2.gz PXAACIRVQKAJEC-JCYILVPMSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCC(C#N)CC1 ZINC000929722808 638945470 /nfs/dbraw/zinc/94/54/70/638945470.db2.gz PXAACIRVQKAJEC-JCYILVPMSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCC(C#N)CC1 ZINC000929722808 638945471 /nfs/dbraw/zinc/94/54/71/638945471.db2.gz PXAACIRVQKAJEC-JCYILVPMSA-N 2 1 277.456 3.123 20 30 CGEDMP C#CCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547023 639459362 /nfs/dbraw/zinc/45/93/62/639459362.db2.gz JKHZQSZBWRBKRQ-UHFFFAOYSA-N 2 1 282.431 3.097 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252136399 806022547 /nfs/dbraw/zinc/02/25/47/806022547.db2.gz PMEQWGTYXDVFQN-QZTJIDSGSA-N 2 1 298.515 3.419 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001253239192 806190303 /nfs/dbraw/zinc/19/03/03/806190303.db2.gz KUUOEBVJCXQCTQ-SFHVURJKSA-N 2 1 296.499 3.292 20 30 CGEDMP CC(C)(C)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254649149 806472612 /nfs/dbraw/zinc/47/26/12/806472612.db2.gz QGXIZLOLIAMPMB-KLHDSHLOSA-N 2 1 277.456 3.297 20 30 CGEDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254649147 806473054 /nfs/dbraw/zinc/47/30/54/806473054.db2.gz QGXIZLOLIAMPMB-FPCVCCKLSA-N 2 1 277.456 3.297 20 30 CGEDMP N#CC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382588 806630107 /nfs/dbraw/zinc/63/01/07/806630107.db2.gz WFHCAFONRIHSFF-SFHVURJKSA-N 2 1 297.446 3.325 20 30 CGEDMP N#CC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382588 806630116 /nfs/dbraw/zinc/63/01/16/806630116.db2.gz WFHCAFONRIHSFF-SFHVURJKSA-N 2 1 297.446 3.325 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000392765689 799483698 /nfs/dbraw/zinc/48/36/98/799483698.db2.gz OFRSGBPBFYLIRI-MRXNPFEDSA-N 2 1 288.435 3.080 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000392765689 799483701 /nfs/dbraw/zinc/48/37/01/799483701.db2.gz OFRSGBPBFYLIRI-MRXNPFEDSA-N 2 1 288.435 3.080 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709788605 800018240 /nfs/dbraw/zinc/01/82/40/800018240.db2.gz FGUMEJNZKVEKMM-MRXNPFEDSA-N 2 1 252.446 3.422 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266776 /nfs/dbraw/zinc/26/67/76/800266776.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266782 /nfs/dbraw/zinc/26/67/82/800266782.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266788 /nfs/dbraw/zinc/26/67/88/800266788.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@@H](CCC#N)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266796 /nfs/dbraw/zinc/26/67/96/800266796.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 2 1 297.446 3.133 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC001138548733 803963892 /nfs/dbraw/zinc/96/38/92/803963892.db2.gz IWOMZNJRQKFXMB-UHFFFAOYSA-N 2 1 294.402 3.306 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246024384 804100673 /nfs/dbraw/zinc/10/06/73/804100673.db2.gz FNRDVQZGDSXAOI-ROUUACIJSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246034129 804102530 /nfs/dbraw/zinc/10/25/30/804102530.db2.gz MPIRBFPUGXEMBA-DLBZAZTESA-N 2 1 284.488 3.159 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246062841 804103770 /nfs/dbraw/zinc/10/37/70/804103770.db2.gz JTUPNRDHUKMDKH-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246062841 804103775 /nfs/dbraw/zinc/10/37/75/804103775.db2.gz JTUPNRDHUKMDKH-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001246069347 804109241 /nfs/dbraw/zinc/10/92/41/804109241.db2.gz XGHSFDXRXJXBTR-ZWKOTPCHSA-N 2 1 296.499 3.195 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](CCC)CCC[NH+](C)C ZINC001139031012 804113789 /nfs/dbraw/zinc/11/37/89/804113789.db2.gz OWXHCQYMTRLPOG-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](CCC)CCC[NH+](C)C ZINC001139031012 804113795 /nfs/dbraw/zinc/11/37/95/804113795.db2.gz OWXHCQYMTRLPOG-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246262601 804244780 /nfs/dbraw/zinc/24/47/80/804244780.db2.gz ITEQXVIPLHLPAT-UXHICEINSA-N 2 1 290.410 3.251 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](CCC)CCCC ZINC001246302133 804268206 /nfs/dbraw/zinc/26/82/06/804268206.db2.gz AOBGZTBRFKRTAC-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246501857 804364725 /nfs/dbraw/zinc/36/47/25/804364725.db2.gz DZHGGLLUVJMHAZ-YHUYYLMFSA-N 2 1 252.446 3.323 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561569 804410522 /nfs/dbraw/zinc/41/05/22/804410522.db2.gz WFFYXKZLYRPYGF-BRWVUGGUSA-N 2 1 284.488 3.300 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)C[C@H](C1)C2 ZINC001246592777 804435691 /nfs/dbraw/zinc/43/56/91/804435691.db2.gz QREVKCVDTTVVFJ-DNLWUEFJSA-N 2 1 262.441 3.181 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246659564 804484196 /nfs/dbraw/zinc/48/41/96/804484196.db2.gz SZPSLEYJGMNFFW-CAOSSQGBSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001246680640 804493870 /nfs/dbraw/zinc/49/38/70/804493870.db2.gz WOHZPIPMCANTKP-GJZGRUSLSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[N@@H+](CC)C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246769478 804503238 /nfs/dbraw/zinc/50/32/38/804503238.db2.gz KSEQXPCALMYYJS-XYPWUTKMSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246838415 804546493 /nfs/dbraw/zinc/54/64/93/804546493.db2.gz BUQYDPWYPLNBSJ-IAGOWNOFSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246838415 804546495 /nfs/dbraw/zinc/54/64/95/804546495.db2.gz BUQYDPWYPLNBSJ-IAGOWNOFSA-N 2 1 258.409 3.205 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001246838629 804546594 /nfs/dbraw/zinc/54/65/94/804546594.db2.gz ZDWMJDBIEPFAEJ-INIZCTEOSA-N 2 1 284.488 3.436 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246868606 804571502 /nfs/dbraw/zinc/57/15/02/804571502.db2.gz BFNRMMKWUYVEIZ-LSDHHAIUSA-N 2 1 252.446 3.441 20 30 CGEDMP CN1CCC([N@@H+](C2CCCC2)C2CCC(C#N)CC2)CC1 ZINC001256971544 807020878 /nfs/dbraw/zinc/02/08/78/807020878.db2.gz VBRDURFRXLLASX-UHFFFAOYSA-N 2 1 289.467 3.408 20 30 CGEDMP CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257436268 807155007 /nfs/dbraw/zinc/15/50/07/807155007.db2.gz SVQGEAJKPWVLRW-ZTFGCOKTSA-N 2 1 285.435 3.429 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001167837485 807258930 /nfs/dbraw/zinc/25/89/30/807258930.db2.gz LLKLAMBUELVGHP-LUKYLMHMSA-N 2 1 277.456 3.263 20 30 CGEDMP C=CCC[C@@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001258736681 807583673 /nfs/dbraw/zinc/58/36/73/807583673.db2.gz YLGIUAKXMUXOLK-CQSZACIVSA-N 2 1 288.439 3.007 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001171182046 808002339 /nfs/dbraw/zinc/00/23/39/808002339.db2.gz RZUMCSGUBDTUBA-IRXDYDNUSA-N 2 1 299.462 3.343 20 30 CGEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172130391 808186988 /nfs/dbraw/zinc/18/69/88/808186988.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172130391 808186990 /nfs/dbraw/zinc/18/69/90/808186990.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[NH+](Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172130391 808186994 /nfs/dbraw/zinc/18/69/94/808186994.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 2 1 283.419 3.005 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001172292080 808217948 /nfs/dbraw/zinc/21/79/48/808217948.db2.gz CJDCGBQLSUOFJO-DLBZAZTESA-N 2 1 299.462 3.343 20 30 CGEDMP C=CCOC1CCC([N@@H+](CCC)CCC[NH+](C)C)CC1 ZINC001173322618 808611467 /nfs/dbraw/zinc/61/14/67/808611467.db2.gz GUWMUMMMPQIABJ-UHFFFAOYSA-N 2 1 282.472 3.164 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001205295554 812936482 /nfs/dbraw/zinc/93/64/82/812936482.db2.gz ACDFBBPJJIONKU-OIISXLGYSA-N 2 1 262.441 3.206 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205981532 813151541 /nfs/dbraw/zinc/15/15/41/813151541.db2.gz DUMORRADCOGVOR-HOTGVXAUSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001206003584 813161169 /nfs/dbraw/zinc/16/11/69/813161169.db2.gz JXHCFPGFPSURQX-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001206556488 813352793 /nfs/dbraw/zinc/35/27/93/813352793.db2.gz SWIMPMURGQVOJL-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001206556488 813352799 /nfs/dbraw/zinc/35/27/99/813352799.db2.gz SWIMPMURGQVOJL-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP CCCCCCCC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235005734 818976444 /nfs/dbraw/zinc/97/64/44/818976444.db2.gz GQIDGIVFTUQLGT-QGZVFWFLSA-N 2 1 282.472 3.049 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236068203 819298165 /nfs/dbraw/zinc/29/81/65/819298165.db2.gz VTOFWKDPGSIRQK-ZNFPLGDCSA-N 2 1 252.446 3.444 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)CC1 ZINC001237055163 819654109 /nfs/dbraw/zinc/65/41/09/819654109.db2.gz ALGUEYMMYOWCJR-SJORKVTESA-N 2 1 262.441 3.350 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001308433413 933110672 /nfs/dbraw/zinc/11/06/72/933110672.db2.gz MBONVRSGOVNOBJ-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001308433413 933110674 /nfs/dbraw/zinc/11/06/74/933110674.db2.gz MBONVRSGOVNOBJ-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CCN(C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001561032980 938290480 /nfs/dbraw/zinc/29/04/80/938290480.db2.gz YSMJTGJCGLRQTL-FQEVSTJZSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001561032980 938290481 /nfs/dbraw/zinc/29/04/81/938290481.db2.gz YSMJTGJCGLRQTL-FQEVSTJZSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[N@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001561032980 938290483 /nfs/dbraw/zinc/29/04/83/938290483.db2.gz YSMJTGJCGLRQTL-FQEVSTJZSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001561032980 938290485 /nfs/dbraw/zinc/29/04/85/938290485.db2.gz YSMJTGJCGLRQTL-FQEVSTJZSA-N 2 1 298.474 3.490 20 30 CGEDMP C#CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001561032980 938290486 /nfs/dbraw/zinc/29/04/86/938290486.db2.gz YSMJTGJCGLRQTL-FQEVSTJZSA-N 2 1 298.474 3.490 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC001576598274 962476364 /nfs/dbraw/zinc/47/63/64/962476364.db2.gz LKQRSRUJGCSVPC-CRAIPNDOSA-N 2 1 285.435 3.157 20 30 CGEDMP C[C@H]1CC2(C[N@H+]1CCC1(C#N)CCCCC1)CC[NH2+]CC2 ZINC001576638338 962478374 /nfs/dbraw/zinc/47/83/74/962478374.db2.gz PPHQALPDUMLYLC-INIZCTEOSA-N 2 1 289.467 3.315 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001579554078 962640412 /nfs/dbraw/zinc/64/04/12/962640412.db2.gz MPJODGHQLJJKOF-PKOBYXMFSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C1 ZINC000651692896 398270351 /nfs/dbraw/zinc/27/03/51/398270351.db2.gz WBKJEAVFRXJFRZ-BZUAXINKSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651721073 398275547 /nfs/dbraw/zinc/27/55/47/398275547.db2.gz RUKNOBUJMFSVGI-XMTFNYHQSA-N 2 1 294.483 3.210 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635605 345716196 /nfs/dbraw/zinc/71/61/96/345716196.db2.gz OTFSAGNPBAERDH-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635605 345716198 /nfs/dbraw/zinc/71/61/98/345716198.db2.gz OTFSAGNPBAERDH-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635605 345716199 /nfs/dbraw/zinc/71/61/99/345716199.db2.gz OTFSAGNPBAERDH-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635605 345716202 /nfs/dbraw/zinc/71/62/02/345716202.db2.gz OTFSAGNPBAERDH-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090399098 345787115 /nfs/dbraw/zinc/78/71/15/345787115.db2.gz XPCWRCXANKDXDC-HKUYNNGSSA-N 2 1 284.447 3.433 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000090399098 345787120 /nfs/dbraw/zinc/78/71/20/345787120.db2.gz XPCWRCXANKDXDC-HKUYNNGSSA-N 2 1 284.447 3.433 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924653 347230589 /nfs/dbraw/zinc/23/05/89/347230589.db2.gz KHOVEHRICRNFCK-QGZVFWFLSA-N 2 1 297.446 3.063 20 30 CGEDMP CC[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057321 347272300 /nfs/dbraw/zinc/27/23/00/347272300.db2.gz XBAVYUVINYHXAM-IAGOWNOFSA-N 2 1 285.435 3.472 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000599299551 347733533 /nfs/dbraw/zinc/73/35/33/347733533.db2.gz HCKXFKYOPLWODG-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000599299551 347733537 /nfs/dbraw/zinc/73/35/37/347733537.db2.gz HCKXFKYOPLWODG-SFHVURJKSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C#N ZINC000600712100 347830034 /nfs/dbraw/zinc/83/00/34/347830034.db2.gz WDNUJYHNQLYCCT-GOSISDBHSA-N 2 1 297.446 3.078 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123067 349981412 /nfs/dbraw/zinc/98/14/12/349981412.db2.gz FGLHPAUNRMQARZ-BRWVUGGUSA-N 2 1 264.457 3.443 20 30 CGEDMP N#CCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602864297 348038191 /nfs/dbraw/zinc/03/81/91/348038191.db2.gz QXCDDZIBBBUGAK-UHFFFAOYSA-N 2 1 297.446 3.278 20 30 CGEDMP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC000614166935 348654207 /nfs/dbraw/zinc/65/42/07/348654207.db2.gz MXTRDODBNCKDQJ-UHFFFAOYSA-N 2 1 299.462 3.261 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614169786 348654358 /nfs/dbraw/zinc/65/43/58/348654358.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169786 348654363 /nfs/dbraw/zinc/65/43/63/348654363.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169786 348654365 /nfs/dbraw/zinc/65/43/65/348654365.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 2 1 299.462 3.402 20 30 CGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000119660720 370696432 /nfs/dbraw/zinc/69/64/32/370696432.db2.gz XLWFIJQUAKBMAJ-KRWDZBQOSA-N 2 1 291.483 3.370 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438205218 372912167 /nfs/dbraw/zinc/91/21/67/372912167.db2.gz XVDCANYOUOITRS-UHFFFAOYSA-N 2 1 288.435 3.086 20 30 CGEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)CCc1ccco1 ZINC000444605965 373211381 /nfs/dbraw/zinc/21/13/81/373211381.db2.gz FRYRKXGHMDUPSJ-UHFFFAOYSA-N 2 1 276.424 3.186 20 30 CGEDMP C=CC[N@@H+](CCC[NH+]1CCCCC1)CCc1ccco1 ZINC000444605965 373211388 /nfs/dbraw/zinc/21/13/88/373211388.db2.gz FRYRKXGHMDUPSJ-UHFFFAOYSA-N 2 1 276.424 3.186 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531268 373446411 /nfs/dbraw/zinc/44/64/11/373446411.db2.gz QNUSASIMSBUDSK-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099058 373660356 /nfs/dbraw/zinc/66/03/56/373660356.db2.gz SEJWOSHBZXBMRX-VBWXLCSBSA-N 2 1 291.483 3.415 20 30 CGEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099058 373660364 /nfs/dbraw/zinc/66/03/64/373660364.db2.gz SEJWOSHBZXBMRX-VBWXLCSBSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449125706 373663602 /nfs/dbraw/zinc/66/36/02/373663602.db2.gz SXPWLWHOIMFYAI-UHFFFAOYSA-N 2 1 275.440 3.089 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C2CCC2)CC1 ZINC000449121829 373663773 /nfs/dbraw/zinc/66/37/73/373663773.db2.gz JHCPHMBQUMGUGI-MRXNPFEDSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449284181 373677666 /nfs/dbraw/zinc/67/76/66/373677666.db2.gz OGALMDGZZANMTD-IAGOWNOFSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449284181 373677673 /nfs/dbraw/zinc/67/76/73/373677673.db2.gz OGALMDGZZANMTD-IAGOWNOFSA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685110 374442025 /nfs/dbraw/zinc/44/20/25/374442025.db2.gz SSZDGLATJTTZOJ-CYBMUJFWSA-N 2 1 255.365 3.407 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185384444 374654028 /nfs/dbraw/zinc/65/40/28/374654028.db2.gz RYYBDYXLWDTLBV-HNNXBMFYSA-N 2 1 288.435 3.392 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194383772 375995634 /nfs/dbraw/zinc/99/56/34/375995634.db2.gz WRUYEVCAYSEXQW-HNNXBMFYSA-N 2 1 258.409 3.030 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249156850 377472521 /nfs/dbraw/zinc/47/25/21/377472521.db2.gz XDRZAEUUUQXAQX-QRVBRYPASA-N 2 1 297.446 3.180 20 30 CGEDMP CC[C@@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000565168032 377482883 /nfs/dbraw/zinc/48/28/83/377482883.db2.gz AYFYZCLNBBMBDV-SFHVURJKSA-N 2 1 285.435 3.454 20 30 CGEDMP C[N@H+](CCC[NH2+]Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093492193 249037291 /nfs/dbraw/zinc/03/72/91/249037291.db2.gz FZLLJIPXCDKNHG-UHFFFAOYSA-N 2 1 299.443 3.231 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093492193 249037292 /nfs/dbraw/zinc/03/72/92/249037292.db2.gz FZLLJIPXCDKNHG-UHFFFAOYSA-N 2 1 299.443 3.231 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000268957196 378161684 /nfs/dbraw/zinc/16/16/84/378161684.db2.gz YYSWJYSUHQVPOY-FUHWJXTLSA-N 2 1 285.435 3.323 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000268957196 378161688 /nfs/dbraw/zinc/16/16/88/378161688.db2.gz YYSWJYSUHQVPOY-FUHWJXTLSA-N 2 1 285.435 3.323 20 30 CGEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402273 /nfs/dbraw/zinc/40/22/73/378402273.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402280 /nfs/dbraw/zinc/40/22/80/378402280.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402284 /nfs/dbraw/zinc/40/22/84/378402284.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272878639 378716791 /nfs/dbraw/zinc/71/67/91/378716791.db2.gz XIPHUXRREXOHDZ-BQFCYCMXSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000276616013 378967630 /nfs/dbraw/zinc/96/76/30/378967630.db2.gz HIDQHAYESARIIU-QGZVFWFLSA-N 2 1 269.392 3.260 20 30 CGEDMP C=C(C)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000351751674 379741658 /nfs/dbraw/zinc/74/16/58/379741658.db2.gz COMMEVJTNUDHIC-UHFFFAOYSA-N 2 1 273.424 3.196 20 30 CGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC#N ZINC000282594529 379950543 /nfs/dbraw/zinc/95/05/43/379950543.db2.gz XHXUJBRKCJEVHR-QGZVFWFLSA-N 2 1 285.435 3.180 20 30 CGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC#N ZINC000282594529 379950548 /nfs/dbraw/zinc/95/05/48/379950548.db2.gz XHXUJBRKCJEVHR-QGZVFWFLSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231106 380137046 /nfs/dbraw/zinc/13/70/46/380137046.db2.gz ZVADPRNJWMUUFL-IRXDYDNUSA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231106 380137055 /nfs/dbraw/zinc/13/70/55/380137055.db2.gz ZVADPRNJWMUUFL-IRXDYDNUSA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659594 381608146 /nfs/dbraw/zinc/60/81/46/381608146.db2.gz ZAHSTNSQRKFZIZ-DKSSEZFCSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659594 381608152 /nfs/dbraw/zinc/60/81/52/381608152.db2.gz ZAHSTNSQRKFZIZ-DKSSEZFCSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866304 382322140 /nfs/dbraw/zinc/32/21/40/382322140.db2.gz AWLQWRKMNQJGQS-AEFFLSMTSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192178622 130388946 /nfs/dbraw/zinc/38/89/46/130388946.db2.gz XOHCWJIHICVNNA-HKUYNNGSSA-N 2 1 296.458 3.281 20 30 CGEDMP C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178622 130388949 /nfs/dbraw/zinc/38/89/49/130388949.db2.gz XOHCWJIHICVNNA-HKUYNNGSSA-N 2 1 296.458 3.281 20 30 CGEDMP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccco1 ZINC000286279543 397671456 /nfs/dbraw/zinc/67/14/56/397671456.db2.gz VREHRTPNMGWHHZ-HNNXBMFYSA-N 2 1 273.380 3.472 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037319127 173119009 /nfs/dbraw/zinc/11/90/09/173119009.db2.gz UCXXNEQDEASMHO-HNNXBMFYSA-N 2 1 285.435 3.473 20 30 CGEDMP C=C(C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449470634 260628400 /nfs/dbraw/zinc/62/84/00/260628400.db2.gz BJJILGGEADOBHD-UHFFFAOYSA-N 2 1 290.426 3.388 20 30 CGEDMP C=CCOc1ccccc1CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000161510463 264288110 /nfs/dbraw/zinc/28/81/10/264288110.db2.gz LKQXFZMWMOTOAR-INMHGKMJSA-N 2 1 288.435 3.070 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000161510463 264288114 /nfs/dbraw/zinc/28/81/14/264288114.db2.gz LKQXFZMWMOTOAR-INMHGKMJSA-N 2 1 288.435 3.070 20 30 CGEDMP N#Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)s1 ZINC000563969585 322017316 /nfs/dbraw/zinc/01/73/16/322017316.db2.gz ZXTOHPKLEQOGNG-UHFFFAOYSA-N 2 1 298.415 3.091 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000521218717 333115432 /nfs/dbraw/zinc/11/54/32/333115432.db2.gz USIHWTJEGCHWIV-QGZVFWFLSA-N 2 1 288.435 3.071 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC(F)(F)F)CC1 ZINC000541539737 333778619 /nfs/dbraw/zinc/77/86/19/333778619.db2.gz GNQYXPZGXDHTAM-GFCCVEGCSA-N 2 1 278.362 3.348 20 30 CGEDMP N#CCC[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000576863953 335257100 /nfs/dbraw/zinc/25/71/00/335257100.db2.gz NPUHABLOJQUWDB-UHFFFAOYSA-N 2 1 271.408 3.066 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000425532143 534078870 /nfs/dbraw/zinc/07/88/70/534078870.db2.gz ILMANBACUUYNFI-INIZCTEOSA-N 2 1 285.435 3.427 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000425532143 534078877 /nfs/dbraw/zinc/07/88/77/534078877.db2.gz ILMANBACUUYNFI-INIZCTEOSA-N 2 1 285.435 3.427 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769309 527831869 /nfs/dbraw/zinc/83/18/69/527831869.db2.gz RFWGMMXXDBMWKP-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769309 527831873 /nfs/dbraw/zinc/83/18/73/527831873.db2.gz RFWGMMXXDBMWKP-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769309 527831876 /nfs/dbraw/zinc/83/18/76/527831876.db2.gz RFWGMMXXDBMWKP-CABCVRRESA-N 2 1 265.445 3.121 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411821 619424573 /nfs/dbraw/zinc/42/45/73/619424573.db2.gz OOOBWJHMOWGAMA-ZNMIVQPWSA-N 2 1 250.430 3.194 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924986676 619476831 /nfs/dbraw/zinc/47/68/31/619476831.db2.gz MMFTVELJGFTKTB-QGZVFWFLSA-N 2 1 292.467 3.108 20 30 CGEDMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000902363527 621290431 /nfs/dbraw/zinc/29/04/31/621290431.db2.gz WKGNILTWAAEIGO-DLBZAZTESA-N 2 1 285.435 3.399 20 30 CGEDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000903014959 621518649 /nfs/dbraw/zinc/51/86/49/621518649.db2.gz BWICYPHWYYGPHT-GOSISDBHSA-N 2 1 285.435 3.473 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC000903811509 621814242 /nfs/dbraw/zinc/81/42/42/621814242.db2.gz LQPCHIOCURVKBC-KRWDZBQOSA-N 2 1 283.419 3.042 20 30 CGEDMP C=CCCCCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895599 621828191 /nfs/dbraw/zinc/82/81/91/621828191.db2.gz OTAUWSFZMJUPMP-MQVJKMGUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[NH+](C/C=C\C[N@H+](CC=C)C(C)C)C(C)C ZINC000917167788 624248878 /nfs/dbraw/zinc/24/88/78/624248878.db2.gz ABXWWJKIQIGBJD-KTKRTIGZSA-N 2 1 250.430 3.335 20 30 CGEDMP CN(C)c1cc[nH+]cc1C=[NH+]N1CCC(C(C)(C)C)CC1 ZINC000790178658 629189062 /nfs/dbraw/zinc/18/90/62/629189062.db2.gz HAGQQRWBYWMHGB-UHFFFAOYSA-N 2 1 288.439 3.240 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000809594901 630756281 /nfs/dbraw/zinc/75/62/81/630756281.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594901 630756286 /nfs/dbraw/zinc/75/62/86/630756286.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594901 630756291 /nfs/dbraw/zinc/75/62/91/630756291.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 2 1 294.442 3.117 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000815651905 631813625 /nfs/dbraw/zinc/81/36/25/631813625.db2.gz IOCKIYYTILFGGQ-MSOLQXFVSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000815651905 631813630 /nfs/dbraw/zinc/81/36/30/631813630.db2.gz IOCKIYYTILFGGQ-MSOLQXFVSA-N 2 1 284.447 3.113 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433591 635786838 /nfs/dbraw/zinc/78/68/38/635786838.db2.gz XVKWHAMCZJGWQO-UHFFFAOYSA-N 2 1 296.418 3.018 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433591 635786848 /nfs/dbraw/zinc/78/68/48/635786848.db2.gz XVKWHAMCZJGWQO-UHFFFAOYSA-N 2 1 296.418 3.018 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000872102981 634023222 /nfs/dbraw/zinc/02/32/22/634023222.db2.gz VORXJSSDUKJSFA-QGZVFWFLSA-N 2 1 294.483 3.212 20 30 CGEDMP C#CCCCCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000876775603 634897566 /nfs/dbraw/zinc/89/75/66/634897566.db2.gz ZGLPOGUGIKASQY-QGZVFWFLSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000876775603 634897568 /nfs/dbraw/zinc/89/75/68/634897568.db2.gz ZGLPOGUGIKASQY-QGZVFWFLSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000876775603 634897570 /nfs/dbraw/zinc/89/75/70/634897570.db2.gz ZGLPOGUGIKASQY-QGZVFWFLSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000878523048 635541936 /nfs/dbraw/zinc/54/19/36/635541936.db2.gz VVYOZBRTAJMYDL-UHFFFAOYSA-N 2 1 286.419 3.427 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000924662225 638385110 /nfs/dbraw/zinc/38/51/10/638385110.db2.gz SXGCMNBFQPSCQZ-KFWWJZLASA-N 2 1 265.445 3.167 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000924662225 638385112 /nfs/dbraw/zinc/38/51/12/638385112.db2.gz SXGCMNBFQPSCQZ-KFWWJZLASA-N 2 1 265.445 3.167 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750990 638399015 /nfs/dbraw/zinc/39/90/15/638399015.db2.gz HZIGGZHSWDAXIK-GJZGRUSLSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750990 638399018 /nfs/dbraw/zinc/39/90/18/638399018.db2.gz HZIGGZHSWDAXIK-GJZGRUSLSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926626923 638791716 /nfs/dbraw/zinc/79/17/16/638791716.db2.gz LZLPMBNENICDPW-AWEZNQCLSA-N 2 1 271.408 3.093 20 30 CGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929791586 638952486 /nfs/dbraw/zinc/95/24/86/638952486.db2.gz UBKDRMBMYPUGDF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929791586 638952487 /nfs/dbraw/zinc/95/24/87/638952487.db2.gz UBKDRMBMYPUGDF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929791586 638952489 /nfs/dbraw/zinc/95/24/89/638952489.db2.gz UBKDRMBMYPUGDF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621347 639180857 /nfs/dbraw/zinc/18/08/57/639180857.db2.gz KBFNGWPCUFMFKJ-HOTGVXAUSA-N 2 1 275.440 3.019 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252133938 806020452 /nfs/dbraw/zinc/02/04/52/806020452.db2.gz MHUVSORDWRTWBV-SFHVURJKSA-N 2 1 296.499 3.314 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001252133936 806021171 /nfs/dbraw/zinc/02/11/71/806021171.db2.gz MHUVSORDWRTWBV-GOSISDBHSA-N 2 1 296.499 3.314 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001253239188 806190403 /nfs/dbraw/zinc/19/04/03/806190403.db2.gz KUUOEBVJCXQCTQ-GOSISDBHSA-N 2 1 296.499 3.292 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253250209 806196671 /nfs/dbraw/zinc/19/66/71/806196671.db2.gz VAYUPILJEGTNLA-XMTFNYHQSA-N 2 1 294.483 3.089 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507257 806428287 /nfs/dbraw/zinc/42/82/87/806428287.db2.gz AFBLEWHWINYXHG-HOTGVXAUSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507257 806428292 /nfs/dbraw/zinc/42/82/92/806428292.db2.gz AFBLEWHWINYXHG-HOTGVXAUSA-N 2 1 288.435 3.386 20 30 CGEDMP CCCCCCCCN(CC[NH3+])[C@H]1CCC[N@@H+](C)CC1 ZINC001254509319 806431436 /nfs/dbraw/zinc/43/14/36/806431436.db2.gz YTMUVXCROJMHLE-KRWDZBQOSA-N 2 1 283.504 3.092 20 30 CGEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001254522649 806439539 /nfs/dbraw/zinc/43/95/39/806439539.db2.gz IBNZJFVRXVCTEJ-IBGZPJMESA-N 2 1 297.446 3.222 20 30 CGEDMP CCC(CC)[N@@H+]([C@H]1CC[C@H](C#N)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254648913 806472515 /nfs/dbraw/zinc/47/25/15/806472515.db2.gz PDCJBAOGXCNMCD-OTRWWLKZSA-N 2 1 277.456 3.439 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389265 806632898 /nfs/dbraw/zinc/63/28/98/806632898.db2.gz DLYPEGGOEYDOII-LJQANCHMSA-N 2 1 284.447 3.434 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158472563 799070995 /nfs/dbraw/zinc/07/09/95/799070995.db2.gz GXORRYAPTBYTDZ-HZPDHXFCSA-N 2 1 252.446 3.373 20 30 CGEDMP CCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158472563 799071000 /nfs/dbraw/zinc/07/10/00/799071000.db2.gz GXORRYAPTBYTDZ-HZPDHXFCSA-N 2 1 252.446 3.373 20 30 CGEDMP CCCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158472563 799071007 /nfs/dbraw/zinc/07/10/07/799071007.db2.gz GXORRYAPTBYTDZ-HZPDHXFCSA-N 2 1 252.446 3.373 20 30 CGEDMP C=C(C)CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001163378989 806754587 /nfs/dbraw/zinc/75/45/87/806754587.db2.gz ZVVSOJGXNQIIQQ-OAHLLOKOSA-N 2 1 284.407 3.339 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746293 799849035 /nfs/dbraw/zinc/84/90/35/799849035.db2.gz DQYCVPPUGATPII-STQMWFEESA-N 2 1 280.378 3.416 20 30 CGEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714970249 800129770 /nfs/dbraw/zinc/12/97/70/800129770.db2.gz WOKWWJZDJRKCII-UXHICEINSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716627528 800177391 /nfs/dbraw/zinc/17/73/91/800177391.db2.gz RFUAHZHRUKJRQF-UFYCRDLUSA-N 2 1 296.458 3.433 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC001256207445 806848567 /nfs/dbraw/zinc/84/85/67/806848567.db2.gz KFHUQHDGKXOQQK-UHFFFAOYSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[C@@H]1CC[N@H+]1Cc1cncc(C[NH+]2CC[C@@H]2CC=C)c1 ZINC000934459270 800678455 /nfs/dbraw/zinc/67/84/55/800678455.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 2 1 297.446 3.382 20 30 CGEDMP C=CC[C@@H]1CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@@H]2CC=C)c1 ZINC000934459270 800678459 /nfs/dbraw/zinc/67/84/59/800678459.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 2 1 297.446 3.382 20 30 CGEDMP C=CC[C@@H]1CC[NH+]1Cc1cncc(C[N@H+]2CC[C@@H]2CC=C)c1 ZINC000934459270 800678464 /nfs/dbraw/zinc/67/84/64/800678464.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 2 1 297.446 3.382 20 30 CGEDMP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576886 806921099 /nfs/dbraw/zinc/92/10/99/806921099.db2.gz UTGXXHDSQVBUOP-UHFFFAOYSA-N 2 1 285.435 3.253 20 30 CGEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576886 806921103 /nfs/dbraw/zinc/92/11/03/806921103.db2.gz UTGXXHDSQVBUOP-UHFFFAOYSA-N 2 1 285.435 3.253 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H](CC)C[NH3+] ZINC001246000873 804097150 /nfs/dbraw/zinc/09/71/50/804097150.db2.gz MLEMUBBVCOGKRC-HZPDHXFCSA-N 2 1 272.477 3.205 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246034085 804102387 /nfs/dbraw/zinc/10/23/87/804102387.db2.gz PSMIYPWWZJAUGF-OKZBNKHCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001246034085 804102390 /nfs/dbraw/zinc/10/23/90/804102390.db2.gz PSMIYPWWZJAUGF-OKZBNKHCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001246062590 804103891 /nfs/dbraw/zinc/10/38/91/804103891.db2.gz MNWMUXMMEHETFX-IRXDYDNUSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058855 804105020 /nfs/dbraw/zinc/10/50/20/804105020.db2.gz GVZZQRWVBVFBBV-FGTMMUONSA-N 2 1 296.499 3.172 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]C[C@@]3(F)CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246112019 804142876 /nfs/dbraw/zinc/14/28/76/804142876.db2.gz JYTCFNRDSUJKGL-FCLJQHQZSA-N 2 1 280.431 3.193 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242551 804234117 /nfs/dbraw/zinc/23/41/17/804234117.db2.gz YYDMKOUSFQAQCC-CABCVRRESA-N 2 1 258.450 3.079 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](CC)CCCCC ZINC001246306381 804269334 /nfs/dbraw/zinc/26/93/34/804269334.db2.gz WLKNJXKOJPWFJU-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCC(C)C ZINC001246312354 804272699 /nfs/dbraw/zinc/27/26/99/804272699.db2.gz OGHCNUUKOIEACI-HOTGVXAUSA-N 2 1 298.471 3.018 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C[NH2+]C)C3)C[C@H](C1)C2 ZINC001246538175 804387547 /nfs/dbraw/zinc/38/75/47/804387547.db2.gz AQLKFLRRAHKVFS-PMRDEQMMSA-N 2 1 262.441 3.053 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)C[C@H](C1)C2 ZINC001246563914 804414101 /nfs/dbraw/zinc/41/41/01/804414101.db2.gz DIVFPHJAGNASPP-IHAUNJBESA-N 2 1 276.468 3.428 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)C[C@H](C1)C2 ZINC001246563923 804414170 /nfs/dbraw/zinc/41/41/70/804414170.db2.gz DIVFPHJAGNASPP-LPNAZMDGSA-N 2 1 276.468 3.428 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246566687 804415479 /nfs/dbraw/zinc/41/54/79/804415479.db2.gz UEFMJCQJMJUUGO-RRFJBIMHSA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246566687 804415481 /nfs/dbraw/zinc/41/54/81/804415481.db2.gz UEFMJCQJMJUUGO-RRFJBIMHSA-N 2 1 258.425 3.497 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617099 804452104 /nfs/dbraw/zinc/45/21/04/804452104.db2.gz XUDDYGPFEIRRTH-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246617099 804452107 /nfs/dbraw/zinc/45/21/07/804452107.db2.gz XUDDYGPFEIRRTH-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642101 804468573 /nfs/dbraw/zinc/46/85/73/804468573.db2.gz LJVDEEDHXSHFPS-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650456 804478928 /nfs/dbraw/zinc/47/89/28/804478928.db2.gz IIZDNUVXQKPOMF-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246650456 804478930 /nfs/dbraw/zinc/47/89/30/804478930.db2.gz IIZDNUVXQKPOMF-LPHOPBHVSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246653931 804480126 /nfs/dbraw/zinc/48/01/26/804480126.db2.gz CNPVNVNXDQWTPN-WCVJEAGWSA-N 2 1 252.446 3.405 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246770940 804502489 /nfs/dbraw/zinc/50/24/89/804502489.db2.gz STLRVVWUZWECDT-AWEZNQCLSA-N 2 1 270.486 3.126 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)CCC3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246796811 804519596 /nfs/dbraw/zinc/51/95/96/804519596.db2.gz MDEOSDOENUQDDF-JWTNVVGKSA-N 2 1 276.468 3.443 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)C[C@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246843032 804552475 /nfs/dbraw/zinc/55/24/75/804552475.db2.gz SPXHAYQYVNCNDP-PMRDEQMMSA-N 2 1 262.441 3.053 20 30 CGEDMP C=CCCCC[N@H+](C)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246868986 804571081 /nfs/dbraw/zinc/57/10/81/804571081.db2.gz DTAJGOOVDOFADI-HNNXBMFYSA-N 2 1 250.430 3.197 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]CC[C@H]3CCC[N@H+](C)C3)C[C@H](C1)C2 ZINC001257886625 807237403 /nfs/dbraw/zinc/23/74/03/807237403.db2.gz KRXHUWADNHQFJI-HRBLRVMOSA-N 2 1 276.468 3.443 20 30 CGEDMP C=C1C[C@@H]2CC(n3cc[nH+]c3CCC[NH3+])C[C@H](C1)C2 ZINC001257889641 807240134 /nfs/dbraw/zinc/24/01/34/807240134.db2.gz HDEJAJVIOFSMRJ-YIONKMFJSA-N 2 1 259.397 3.082 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)C3CCC([NH3+])CC3)C[C@H](C1)C2 ZINC001257888448 807240218 /nfs/dbraw/zinc/24/02/18/807240218.db2.gz NKEGVCUWOOQZTD-JJXSXHAKSA-N 2 1 262.441 3.323 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001167824317 807256127 /nfs/dbraw/zinc/25/61/27/807256127.db2.gz DJXNXPDZGNWKBB-CVEARBPZSA-N 2 1 265.445 3.123 20 30 CGEDMP C#CC(C)(C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007418 807298507 /nfs/dbraw/zinc/29/85/07/807298507.db2.gz APQARNDJYRWSKO-HOTGVXAUSA-N 2 1 284.447 3.429 20 30 CGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091172 807570540 /nfs/dbraw/zinc/57/05/40/807570540.db2.gz OPZAXCIJKCJJMM-BJWYYQGGSA-N 2 1 283.419 3.008 20 30 CGEDMP C#CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077179 808170068 /nfs/dbraw/zinc/17/00/68/808170068.db2.gz PJIWEODWYBCZDP-LDLYASANSA-N 2 1 282.431 3.185 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172506930 808361612 /nfs/dbraw/zinc/36/16/12/808361612.db2.gz MECKKNLNQVVGJR-OAHLLOKOSA-N 2 1 265.445 3.121 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001177132278 809782521 /nfs/dbraw/zinc/78/25/21/809782521.db2.gz FCLVRFDJYLSWIR-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206013735 813165413 /nfs/dbraw/zinc/16/54/13/813165413.db2.gz UAEAPAGBHHTIBP-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206580002 813361585 /nfs/dbraw/zinc/36/15/85/813361585.db2.gz BREOUPCUXSWNDJ-SFHVURJKSA-N 2 1 285.435 3.072 20 30 CGEDMP CCC[N@H+](CCCc1ccc(C#N)cc1)CCC[NH+](C)C ZINC001208864815 813875528 /nfs/dbraw/zinc/87/55/28/813875528.db2.gz VBNLCYPUQKWYFK-UHFFFAOYSA-N 2 1 287.451 3.155 20 30 CGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001209160790 813951664 /nfs/dbraw/zinc/95/16/64/813951664.db2.gz CCUUNVHCGNMYRG-HUUCEWRRSA-N 2 1 291.464 3.006 20 30 CGEDMP C=CCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209162255 813954036 /nfs/dbraw/zinc/95/40/36/813954036.db2.gz WGJIZPCNQJKIPE-INIZCTEOSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181600 816369315 /nfs/dbraw/zinc/36/93/15/816369315.db2.gz PKQPEXQCNDIOJS-UHFFFAOYSA-N 2 1 294.483 3.358 20 30 CGEDMP N#Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385776 816427701 /nfs/dbraw/zinc/42/77/01/816427701.db2.gz WOJJQZHMODSVQQ-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1ccc(CCC[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385776 816427704 /nfs/dbraw/zinc/42/77/04/816427704.db2.gz WOJJQZHMODSVQQ-IBGZPJMESA-N 2 1 297.446 3.099 20 30 CGEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(C#N)c1 ZINC001235157692 819019056 /nfs/dbraw/zinc/01/90/56/819019056.db2.gz KDTOXORKMCOABX-LJQANCHMSA-N 2 1 297.446 3.221 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422230 819093276 /nfs/dbraw/zinc/09/32/76/819093276.db2.gz AGYGRGGHOQZKOD-CVEARBPZSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001235703644 819147201 /nfs/dbraw/zinc/14/72/01/819147201.db2.gz ZSTRQOLPTYPBTI-UHFFFAOYSA-N 2 1 272.436 3.454 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001236211081 819371528 /nfs/dbraw/zinc/37/15/28/819371528.db2.gz GXBOAKGXCWGRNL-IXDOHACOSA-N 2 1 262.441 3.491 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001236211081 819371532 /nfs/dbraw/zinc/37/15/32/819371532.db2.gz GXBOAKGXCWGRNL-IXDOHACOSA-N 2 1 262.441 3.491 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)C2CCC([NH2+]C)CC2)c1 ZINC001236214437 819376561 /nfs/dbraw/zinc/37/65/61/819376561.db2.gz FCNHFCDRYVCDIG-UHFFFAOYSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373555 819443137 /nfs/dbraw/zinc/44/31/37/819443137.db2.gz ZFRASVVUFALDKG-HNNXBMFYSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001308433412 933110348 /nfs/dbraw/zinc/11/03/48/933110348.db2.gz MBONVRSGOVNOBJ-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001308433412 933110351 /nfs/dbraw/zinc/11/03/51/933110351.db2.gz MBONVRSGOVNOBJ-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132247 937793657 /nfs/dbraw/zinc/79/36/57/937793657.db2.gz CYPWKLDNOQPRTP-IAGOWNOFSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCC[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC001574901713 962333526 /nfs/dbraw/zinc/33/35/26/962333526.db2.gz PXWZDHIHQFNFBM-IRXDYDNUSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000651808194 398290681 /nfs/dbraw/zinc/29/06/81/398290681.db2.gz ISRILVZYJCZORV-BZUAXINKSA-N 2 1 250.430 3.051 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000593716532 347106404 /nfs/dbraw/zinc/10/64/04/347106404.db2.gz RQNXECJAKGWFAJ-CQSZACIVSA-N 2 1 291.414 3.326 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000593716532 347106407 /nfs/dbraw/zinc/10/64/07/347106407.db2.gz RQNXECJAKGWFAJ-CQSZACIVSA-N 2 1 291.414 3.326 20 30 CGEDMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595892415 347371090 /nfs/dbraw/zinc/37/10/90/347371090.db2.gz QOCLPRAQNXEVEV-CQSZACIVSA-N 2 1 299.340 3.040 20 30 CGEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000602468420 347963091 /nfs/dbraw/zinc/96/30/91/347963091.db2.gz NSIDBUZXWCRQGZ-MJGOQNOKSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@H](CCC#N)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602468420 347963092 /nfs/dbraw/zinc/96/30/92/347963092.db2.gz NSIDBUZXWCRQGZ-MJGOQNOKSA-N 2 1 299.462 3.380 20 30 CGEDMP C[C@H](CCC#N)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602468420 347963094 /nfs/dbraw/zinc/96/30/94/347963094.db2.gz NSIDBUZXWCRQGZ-MJGOQNOKSA-N 2 1 299.462 3.380 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121905 349979994 /nfs/dbraw/zinc/97/99/94/349979994.db2.gz FWHWZKGWCKOXLR-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391533 348444789 /nfs/dbraw/zinc/44/47/89/348444789.db2.gz MZYBNJJLHSKAQM-QFBILLFUSA-N 2 1 297.446 3.257 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000613254690 348581477 /nfs/dbraw/zinc/58/14/77/348581477.db2.gz RAAIMIYNDMUOOQ-GVDBMIGSSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000613254690 348581480 /nfs/dbraw/zinc/58/14/80/348581480.db2.gz RAAIMIYNDMUOOQ-GVDBMIGSSA-N 2 1 277.456 3.313 20 30 CGEDMP C[N@@H+](CCCn1ccnc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178980 348656245 /nfs/dbraw/zinc/65/62/45/348656245.db2.gz XMONKLSBFFCSQY-UHFFFAOYSA-N 2 1 296.418 3.206 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000614397402 348673235 /nfs/dbraw/zinc/67/32/35/348673235.db2.gz QNCDQBXHFCDAEK-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000614397402 348673237 /nfs/dbraw/zinc/67/32/37/348673237.db2.gz QNCDQBXHFCDAEK-UHFFFAOYSA-N 2 1 285.435 3.171 20 30 CGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000179670324 189211542 /nfs/dbraw/zinc/21/15/42/189211542.db2.gz NBMSKULJOSDXDA-KGLIPLIRSA-N 2 1 282.391 3.050 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000120810333 370803674 /nfs/dbraw/zinc/80/36/74/370803674.db2.gz GFSQMHXSIXDBQX-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000120810333 370803678 /nfs/dbraw/zinc/80/36/78/370803678.db2.gz GFSQMHXSIXDBQX-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000120810333 370803681 /nfs/dbraw/zinc/80/36/81/370803681.db2.gz GFSQMHXSIXDBQX-AWEZNQCLSA-N 2 1 291.464 3.077 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCC#N)C1 ZINC000072965331 369846100 /nfs/dbraw/zinc/84/61/00/369846100.db2.gz LLFAZAREBGTOGV-IAGOWNOFSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000072965331 369846102 /nfs/dbraw/zinc/84/61/02/369846102.db2.gz LLFAZAREBGTOGV-IAGOWNOFSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000072965331 369846105 /nfs/dbraw/zinc/84/61/05/369846105.db2.gz LLFAZAREBGTOGV-IAGOWNOFSA-N 2 1 277.456 3.267 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072974865 369846133 /nfs/dbraw/zinc/84/61/33/369846133.db2.gz MSSZNOIEVXFTKW-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974865 369846137 /nfs/dbraw/zinc/84/61/37/369846137.db2.gz MSSZNOIEVXFTKW-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974865 369846138 /nfs/dbraw/zinc/84/61/38/369846138.db2.gz MSSZNOIEVXFTKW-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974865 369846141 /nfs/dbraw/zinc/84/61/41/369846141.db2.gz MSSZNOIEVXFTKW-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000130837775 371063962 /nfs/dbraw/zinc/06/39/62/371063962.db2.gz DXEXJVMAESFILF-MRXNPFEDSA-N 2 1 279.472 3.416 20 30 CGEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000130837775 371063966 /nfs/dbraw/zinc/06/39/66/371063966.db2.gz DXEXJVMAESFILF-MRXNPFEDSA-N 2 1 279.472 3.416 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000152966408 371739358 /nfs/dbraw/zinc/73/93/58/371739358.db2.gz UUROBAIFCCTSGA-GOSISDBHSA-N 2 1 270.420 3.304 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429696009 372375662 /nfs/dbraw/zinc/37/56/62/372375662.db2.gz QRYZMCPULDHHFQ-OWSLCNJRSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429696009 372375664 /nfs/dbraw/zinc/37/56/64/372375664.db2.gz QRYZMCPULDHHFQ-OWSLCNJRSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429696009 372375667 /nfs/dbraw/zinc/37/56/67/372375667.db2.gz QRYZMCPULDHHFQ-OWSLCNJRSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429696009 372375670 /nfs/dbraw/zinc/37/56/70/372375670.db2.gz QRYZMCPULDHHFQ-OWSLCNJRSA-N 2 1 289.467 3.265 20 30 CGEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433025443 372577736 /nfs/dbraw/zinc/57/77/36/372577736.db2.gz KSMYJOLTHNFUQQ-KRWDZBQOSA-N 2 1 282.391 3.216 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000294966409 372682794 /nfs/dbraw/zinc/68/27/94/372682794.db2.gz GCMYPMOYAZBPQN-ZDUSSCGKSA-N 2 1 294.389 3.308 20 30 CGEDMP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000174249080 373274750 /nfs/dbraw/zinc/27/47/50/373274750.db2.gz UVFMAQFZXDJVNJ-UHFFFAOYSA-N 2 1 295.386 3.037 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000449094155 373661353 /nfs/dbraw/zinc/66/13/53/373661353.db2.gz QNCGACHJULKSGN-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177583215 373693194 /nfs/dbraw/zinc/69/31/94/373693194.db2.gz PHMCIUOSIKZGHX-UHFFFAOYSA-N 2 1 297.446 3.445 20 30 CGEDMP C#CCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181095590 374079226 /nfs/dbraw/zinc/07/92/26/374079226.db2.gz SKUQSPJKEVPYIV-AWEZNQCLSA-N 2 1 299.443 3.198 20 30 CGEDMP C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450693134 374172737 /nfs/dbraw/zinc/17/27/37/374172737.db2.gz CXNSHFPSEBJQMQ-FUHWJXTLSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693134 374172746 /nfs/dbraw/zinc/17/27/46/374172746.db2.gz CXNSHFPSEBJQMQ-FUHWJXTLSA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193132301 375830462 /nfs/dbraw/zinc/83/04/62/375830462.db2.gz JHHWPPAHNLNQOT-GDBMZVCRSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529539660 375928221 /nfs/dbraw/zinc/92/82/21/375928221.db2.gz VTGUGYUABLHARS-GFCCVEGCSA-N 2 1 272.383 3.050 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000248766308 377398165 /nfs/dbraw/zinc/39/81/65/377398165.db2.gz GYGZMEDSXARUOW-APWZRJJASA-N 2 1 297.446 3.107 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000248766308 377398178 /nfs/dbraw/zinc/39/81/78/377398178.db2.gz GYGZMEDSXARUOW-APWZRJJASA-N 2 1 297.446 3.107 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972910 377502746 /nfs/dbraw/zinc/50/27/46/377502746.db2.gz FBCFCWQSRXOMPN-QGZVFWFLSA-N 2 1 270.420 3.349 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972910 377502749 /nfs/dbraw/zinc/50/27/49/377502749.db2.gz FBCFCWQSRXOMPN-QGZVFWFLSA-N 2 1 270.420 3.349 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249089506 377461660 /nfs/dbraw/zinc/46/16/60/377461660.db2.gz CSHZUQJDIFLQJQ-AEFFLSMTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000249089506 377461665 /nfs/dbraw/zinc/46/16/65/377461665.db2.gz CSHZUQJDIFLQJQ-AEFFLSMTSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693923 377612435 /nfs/dbraw/zinc/61/24/35/377612435.db2.gz HQSKJOMEOYNEFJ-QBIMZIAESA-N 2 1 283.419 3.008 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693923 377612441 /nfs/dbraw/zinc/61/24/41/377612441.db2.gz HQSKJOMEOYNEFJ-QBIMZIAESA-N 2 1 283.419 3.008 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000264106979 377956342 /nfs/dbraw/zinc/95/63/42/377956342.db2.gz PWOBSSJOKULDRW-UHFFFAOYSA-N 2 1 296.418 3.065 20 30 CGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000343624627 378045418 /nfs/dbraw/zinc/04/54/18/378045418.db2.gz WYPSMNKKYAUOIL-KBPBESRZSA-N 2 1 291.464 3.077 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348250537 378864052 /nfs/dbraw/zinc/86/40/52/378864052.db2.gz WWJLZIWQMCQJRI-FUHWJXTLSA-N 2 1 270.420 3.030 20 30 CGEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000409446911 380037087 /nfs/dbraw/zinc/03/70/87/380037087.db2.gz ZJKRRUHRPAEOGR-KRWDZBQOSA-N 2 1 291.483 3.370 20 30 CGEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446911 380037096 /nfs/dbraw/zinc/03/70/96/380037096.db2.gz ZJKRRUHRPAEOGR-KRWDZBQOSA-N 2 1 291.483 3.370 20 30 CGEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446911 380037101 /nfs/dbraw/zinc/03/71/01/380037101.db2.gz ZJKRRUHRPAEOGR-KRWDZBQOSA-N 2 1 291.483 3.370 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231104 380135393 /nfs/dbraw/zinc/13/53/93/380135393.db2.gz ZVADPRNJWMUUFL-DLBZAZTESA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411231104 380135400 /nfs/dbraw/zinc/13/54/00/380135400.db2.gz ZVADPRNJWMUUFL-DLBZAZTESA-N 2 1 277.456 3.123 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414163949 380196076 /nfs/dbraw/zinc/19/60/76/380196076.db2.gz JNZXJARGHLVSMA-FUHWJXTLSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455752 381753106 /nfs/dbraw/zinc/75/31/06/381753106.db2.gz FNLADNZTVXTSAH-XGXHKWSGSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000361455752 381753110 /nfs/dbraw/zinc/75/31/10/381753110.db2.gz FNLADNZTVXTSAH-XGXHKWSGSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365677036 382292117 /nfs/dbraw/zinc/29/21/17/382292117.db2.gz KYZWSUPMBZLZIZ-KBXCAEBGSA-N 2 1 293.370 3.168 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282512444 392292441 /nfs/dbraw/zinc/29/24/41/392292441.db2.gz OSSJRZWMCLRCDD-KRWDZBQOSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282512444 392292448 /nfs/dbraw/zinc/29/24/48/392292448.db2.gz OSSJRZWMCLRCDD-KRWDZBQOSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000349363030 393146477 /nfs/dbraw/zinc/14/64/77/393146477.db2.gz DPFPFSSVKPODPR-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000349363030 393146484 /nfs/dbraw/zinc/14/64/84/393146484.db2.gz DPFPFSSVKPODPR-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292883215 287131910 /nfs/dbraw/zinc/13/19/10/287131910.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292883215 287131911 /nfs/dbraw/zinc/13/19/11/287131911.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292883215 287131914 /nfs/dbraw/zinc/13/19/14/287131914.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292883215 287131916 /nfs/dbraw/zinc/13/19/16/287131916.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 2 1 283.419 3.037 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000076399730 177016195 /nfs/dbraw/zinc/01/61/95/177016195.db2.gz PWVJGCNLSNXUNX-UHFFFAOYSA-N 2 1 273.424 3.160 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468931 419622677 /nfs/dbraw/zinc/62/26/77/419622677.db2.gz NJPHWHXWIVSGFZ-ZOBUZTSGSA-N 2 1 264.457 3.299 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273125796 263012958 /nfs/dbraw/zinc/01/29/58/263012958.db2.gz ANIQZWIFQYNBRB-GBESFXJTSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453385603 263257727 /nfs/dbraw/zinc/25/77/27/263257727.db2.gz UVBJISRDNHXCME-LSDHHAIUSA-N 2 1 250.430 3.053 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185758972 327844676 /nfs/dbraw/zinc/84/46/76/327844676.db2.gz GEAHGBFCRODLRD-MJGOQNOKSA-N 2 1 297.446 3.323 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423109903 330170812 /nfs/dbraw/zinc/17/08/12/330170812.db2.gz TZHHPJUNKVBUBG-SJORKVTESA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423502334 330208365 /nfs/dbraw/zinc/20/83/65/330208365.db2.gz FERCLOLGJGBIBZ-OKZBNKHCSA-N 2 1 272.436 3.467 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528147 330210321 /nfs/dbraw/zinc/21/03/21/330210321.db2.gz NEJFLJGATJUYGY-BPQIPLTHSA-N 2 1 272.436 3.467 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000121007022 330394802 /nfs/dbraw/zinc/39/48/02/330394802.db2.gz USRMPAAPLPQQIB-RDJZCZTQSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000510735436 332914346 /nfs/dbraw/zinc/91/43/46/332914346.db2.gz ORJLJSHVUVTIAH-SJORKVTESA-N 2 1 262.441 3.195 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@H]1C=C ZINC000489430765 332051854 /nfs/dbraw/zinc/05/18/54/332051854.db2.gz DJKLKMXKANCBLZ-ROUUACIJSA-N 2 1 292.467 3.084 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185782342 333148719 /nfs/dbraw/zinc/14/87/19/333148719.db2.gz IXFMSWFYEKYDBK-BHYGNILZSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794366 333148939 /nfs/dbraw/zinc/14/89/39/333148939.db2.gz SYRBQSILSUSYCC-VVLHAWIVSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000521899319 333197099 /nfs/dbraw/zinc/19/70/99/333197099.db2.gz RKMXRGGDUNHDBD-UHFFFAOYSA-N 2 1 283.419 3.298 20 30 CGEDMP C=CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926471 336077598 /nfs/dbraw/zinc/07/75/98/336077598.db2.gz PYTWSUQKDNIDBW-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658334 572330202 /nfs/dbraw/zinc/33/02/02/572330202.db2.gz WBLVADDPHIJDNJ-DOTOQJQBSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379658334 572330204 /nfs/dbraw/zinc/33/02/04/572330204.db2.gz WBLVADDPHIJDNJ-DOTOQJQBSA-N 2 1 258.409 3.205 20 30 CGEDMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200302 618590518 /nfs/dbraw/zinc/59/05/18/618590518.db2.gz DLSQZPWGJZCUJP-MOPGFXCFSA-N 2 1 297.446 3.100 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc(C)c(C)c2)CC1 ZINC000892881433 618947833 /nfs/dbraw/zinc/94/78/33/618947833.db2.gz WMBCYEDMXBHBGY-UHFFFAOYSA-N 2 1 272.436 3.086 20 30 CGEDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC000902731917 621415889 /nfs/dbraw/zinc/41/58/89/621415889.db2.gz SPJMLWAITIBVCY-SFHVURJKSA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1cccc(C#N)c1 ZINC000904386284 621917178 /nfs/dbraw/zinc/91/71/78/621917178.db2.gz VMCRLSOLSJNVFN-XJKSGUPXSA-N 2 1 273.424 3.362 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(C#N)cc2)C1 ZINC000069707607 624892145 /nfs/dbraw/zinc/89/21/45/624892145.db2.gz HMHBGKVMGGKORF-IYBDPMFKSA-N 2 1 285.435 3.016 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707607 624892149 /nfs/dbraw/zinc/89/21/49/624892149.db2.gz HMHBGKVMGGKORF-IYBDPMFKSA-N 2 1 285.435 3.016 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707607 624892150 /nfs/dbraw/zinc/89/21/50/624892150.db2.gz HMHBGKVMGGKORF-IYBDPMFKSA-N 2 1 285.435 3.016 20 30 CGEDMP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363929 627401752 /nfs/dbraw/zinc/40/17/52/627401752.db2.gz MDGBMBMXUDRGHC-MJGOQNOKSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363929 627401754 /nfs/dbraw/zinc/40/17/54/627401754.db2.gz MDGBMBMXUDRGHC-MJGOQNOKSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000767363929 627401756 /nfs/dbraw/zinc/40/17/56/627401756.db2.gz MDGBMBMXUDRGHC-MJGOQNOKSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ccccc21 ZINC000767363929 627401757 /nfs/dbraw/zinc/40/17/57/627401757.db2.gz MDGBMBMXUDRGHC-MJGOQNOKSA-N 2 1 282.431 3.093 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000815651734 631814393 /nfs/dbraw/zinc/81/43/93/631814393.db2.gz BQTXITDKAKERLS-GJZGRUSLSA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000815651734 631814394 /nfs/dbraw/zinc/81/43/94/631814394.db2.gz BQTXITDKAKERLS-GJZGRUSLSA-N 2 1 292.854 3.377 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872032843 633951336 /nfs/dbraw/zinc/95/13/36/633951336.db2.gz AZVHPYCCDVSBMG-SJORKVTESA-N 2 1 294.483 3.210 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000876757737 634893668 /nfs/dbraw/zinc/89/36/68/634893668.db2.gz FTNVLQRIVNCAAL-IAGOWNOFSA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000876757737 634893672 /nfs/dbraw/zinc/89/36/72/634893672.db2.gz FTNVLQRIVNCAAL-IAGOWNOFSA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000876757737 634893675 /nfs/dbraw/zinc/89/36/75/634893675.db2.gz FTNVLQRIVNCAAL-IAGOWNOFSA-N 2 1 264.457 3.375 20 30 CGEDMP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000883218156 636592083 /nfs/dbraw/zinc/59/20/83/636592083.db2.gz VMHPWDBZZZFUML-KRWDZBQOSA-N 2 1 283.419 3.130 20 30 CGEDMP Cc1[nH]c(C2CC[NH+](CC#Cc3ccccc3)CC2)[nH+]c1C ZINC000886662562 637639325 /nfs/dbraw/zinc/63/93/25/637639325.db2.gz GTGQMLAHUTVVQP-UHFFFAOYSA-N 2 1 293.414 3.258 20 30 CGEDMP CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000925702637 638572035 /nfs/dbraw/zinc/57/20/35/638572035.db2.gz PVSMJBPURNJQDR-ALOPSCKCSA-N 2 1 282.472 3.188 20 30 CGEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577340 639030337 /nfs/dbraw/zinc/03/03/37/639030337.db2.gz SJFRGQICFYRJPK-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577340 639030340 /nfs/dbraw/zinc/03/03/40/639030340.db2.gz SJFRGQICFYRJPK-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577340 639030343 /nfs/dbraw/zinc/03/03/43/639030343.db2.gz SJFRGQICFYRJPK-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303705386 640838866 /nfs/dbraw/zinc/83/88/66/640838866.db2.gz KWRIQIBVEYZQNC-INIZCTEOSA-N 2 1 288.439 3.021 20 30 CGEDMP Cc1[nH+]c(NCc2cccc(C[NH+](C)C)c2)ccc1CC#N ZINC001156051802 805646846 /nfs/dbraw/zinc/64/68/46/805646846.db2.gz GWUHBYWFTHMHLK-UHFFFAOYSA-N 2 1 294.402 3.130 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252128544 806016656 /nfs/dbraw/zinc/01/66/56/806016656.db2.gz OOSCZORYSYMXEN-SFHVURJKSA-N 2 1 298.515 3.372 20 30 CGEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122391 806548645 /nfs/dbraw/zinc/54/86/45/806548645.db2.gz PHAOWJJTYDQHSO-BCDXTJNWSA-N 2 1 282.431 3.183 20 30 CGEDMP C[N@H+](CCC[NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000037897159 798879805 /nfs/dbraw/zinc/87/98/05/798879805.db2.gz AHPPOQJOKDZZNO-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000037897159 798879810 /nfs/dbraw/zinc/87/98/10/798879810.db2.gz AHPPOQJOKDZZNO-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000328022658 799250512 /nfs/dbraw/zinc/25/05/12/799250512.db2.gz SSSPWXOBRNWHHK-HNNXBMFYSA-N 2 1 284.403 3.347 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000328022658 799250517 /nfs/dbraw/zinc/25/05/17/799250517.db2.gz SSSPWXOBRNWHHK-HNNXBMFYSA-N 2 1 284.403 3.347 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000695859646 799836744 /nfs/dbraw/zinc/83/67/44/799836744.db2.gz PEFCMSMVCKQJLC-INIZCTEOSA-N 2 1 287.451 3.426 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529998 806911620 /nfs/dbraw/zinc/91/16/20/806911620.db2.gz HNYUGQJBLXWHBW-NZSAHSFTSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529998 806911623 /nfs/dbraw/zinc/91/16/23/806911623.db2.gz HNYUGQJBLXWHBW-NZSAHSFTSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553523 806915511 /nfs/dbraw/zinc/91/55/11/806915511.db2.gz HXVPDIPFWPWXLD-NSHGMRRFSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553523 806915515 /nfs/dbraw/zinc/91/55/15/806915515.db2.gz HXVPDIPFWPWXLD-NSHGMRRFSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553523 806915522 /nfs/dbraw/zinc/91/55/22/806915522.db2.gz HXVPDIPFWPWXLD-NSHGMRRFSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553523 806915527 /nfs/dbraw/zinc/91/55/27/806915527.db2.gz HXVPDIPFWPWXLD-NSHGMRRFSA-N 2 1 296.458 3.385 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172501761 808358045 /nfs/dbraw/zinc/35/80/45/808358045.db2.gz FJTTUOOGCRPDPM-OAHLLOKOSA-N 2 1 265.445 3.265 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001246014757 804097507 /nfs/dbraw/zinc/09/75/07/804097507.db2.gz CUVNQLVKBPBSGP-SJORKVTESA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246014362 804098545 /nfs/dbraw/zinc/09/85/45/804098545.db2.gz LMXGPEGFDOPFMW-BDXSIMOUSA-N 2 1 296.499 3.218 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246019430 804099933 /nfs/dbraw/zinc/09/99/33/804099933.db2.gz HIAFDHKJWFFKSY-BBWFWOEESA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001246019430 804099943 /nfs/dbraw/zinc/09/99/43/804099943.db2.gz HIAFDHKJWFFKSY-BBWFWOEESA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](N)C[C@H]1C ZINC001246066085 804106691 /nfs/dbraw/zinc/10/66/91/804106691.db2.gz RAJYTTYBDSWHJO-IKGGRYGDSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246066085 804106696 /nfs/dbraw/zinc/10/66/96/804106696.db2.gz RAJYTTYBDSWHJO-IKGGRYGDSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001246066085 804106700 /nfs/dbraw/zinc/10/67/00/804106700.db2.gz RAJYTTYBDSWHJO-IKGGRYGDSA-N 2 1 284.488 3.300 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]C[C@@]3(C)CC[NH2+]CC3(F)F)C[C@H](C1)C2 ZINC001246221385 804216397 /nfs/dbraw/zinc/21/63/97/804216397.db2.gz NYEJVPASFJWYHV-VFSICIBPSA-N 2 1 298.421 3.346 20 30 CGEDMP C#CC1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC001246461562 804342385 /nfs/dbraw/zinc/34/23/85/804342385.db2.gz DEMRDEVVLIOEHM-ZWKOTPCHSA-N 2 1 282.431 3.405 20 30 CGEDMP C=CC[NH+](CC=C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027947 804353966 /nfs/dbraw/zinc/35/39/66/804353966.db2.gz IDDZRNQMAXQQFZ-UHFFFAOYSA-N 2 1 267.376 3.355 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]CC[C@H]3CC[NH2+]CC3(F)F)C[C@H](C1)C2 ZINC001246484772 804355861 /nfs/dbraw/zinc/35/58/61/804355861.db2.gz YSEPQZMDXDCLPT-IUOOZAAYSA-N 2 1 298.421 3.346 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653318 804479179 /nfs/dbraw/zinc/47/91/79/804479179.db2.gz SFCKQMOUJIADLI-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246653318 804479181 /nfs/dbraw/zinc/47/91/81/804479181.db2.gz SFCKQMOUJIADLI-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246664217 804486282 /nfs/dbraw/zinc/48/62/82/804486282.db2.gz LRZOLMPDTDWLCJ-IKGGRYGDSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001246664217 804486286 /nfs/dbraw/zinc/48/62/86/804486286.db2.gz LRZOLMPDTDWLCJ-IKGGRYGDSA-N 2 1 282.472 3.188 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001246675002 804490334 /nfs/dbraw/zinc/49/03/34/804490334.db2.gz QGRBMIPRRDJXIS-JYJNAYRXSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246770060 804502501 /nfs/dbraw/zinc/50/25/01/804502501.db2.gz MZLOLYCLIADTET-MUJYYYPQSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001246789645 804513865 /nfs/dbraw/zinc/51/38/65/804513865.db2.gz DGMDKXDAKCAPMU-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCC[N@@H+](CCC#N)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861206 806992371 /nfs/dbraw/zinc/99/23/71/806992371.db2.gz RYQZLEWKYMIBCR-UHFFFAOYSA-N 2 1 286.423 3.066 20 30 CGEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994777 807294707 /nfs/dbraw/zinc/29/47/07/807294707.db2.gz OIXOQZCZABRERR-JSAFKYAJSA-N 2 1 299.462 3.158 20 30 CGEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994777 807294711 /nfs/dbraw/zinc/29/47/11/807294711.db2.gz OIXOQZCZABRERR-JSAFKYAJSA-N 2 1 299.462 3.158 20 30 CGEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994777 807294717 /nfs/dbraw/zinc/29/47/17/807294717.db2.gz OIXOQZCZABRERR-JSAFKYAJSA-N 2 1 299.462 3.158 20 30 CGEDMP SCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061925 808168606 /nfs/dbraw/zinc/16/86/06/808168606.db2.gz JYYKKXWCGLHONG-BJWYYQGGSA-N 2 1 290.476 3.092 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(C#N)(CC1)CC3)C2 ZINC001172104259 808174015 /nfs/dbraw/zinc/17/40/15/808174015.db2.gz AWRKOFUOJIOCQE-QBXJUSAXSA-N 2 1 287.451 3.208 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(C#N)(CC1)CC3)C2 ZINC001172104259 808174017 /nfs/dbraw/zinc/17/40/17/808174017.db2.gz AWRKOFUOJIOCQE-QBXJUSAXSA-N 2 1 287.451 3.208 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001172304152 808221521 /nfs/dbraw/zinc/22/15/21/808221521.db2.gz ICESSZIXNMFRLH-LPHOPBHVSA-N 2 1 299.462 3.330 20 30 CGEDMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995945 /nfs/dbraw/zinc/99/59/45/808995945.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995949 /nfs/dbraw/zinc/99/59/49/808995949.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995953 /nfs/dbraw/zinc/99/59/53/808995953.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995957 /nfs/dbraw/zinc/99/59/57/808995957.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP CCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201776308 811964854 /nfs/dbraw/zinc/96/48/54/811964854.db2.gz BCEAOSVEGONUPF-UHFFFAOYSA-N 2 1 281.444 3.087 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918817 812775729 /nfs/dbraw/zinc/77/57/29/812775729.db2.gz NARNKPIRFCXHDL-HVJPJETESA-N 2 1 250.430 3.040 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009308 812823771 /nfs/dbraw/zinc/82/37/71/812823771.db2.gz NEBORKYOAXLFGU-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009308 812823781 /nfs/dbraw/zinc/82/37/81/812823781.db2.gz NEBORKYOAXLFGU-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205295552 812936552 /nfs/dbraw/zinc/93/65/52/812936552.db2.gz ACDFBBPJJIONKU-DJIMGWMZSA-N 2 1 262.441 3.206 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001206003585 813161391 /nfs/dbraw/zinc/16/13/91/813161391.db2.gz JXHCFPGFPSURQX-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206004796 813162837 /nfs/dbraw/zinc/16/28/37/813162837.db2.gz VOZADUBJTWMWRC-HOTGVXAUSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206011167 813163654 /nfs/dbraw/zinc/16/36/54/813163654.db2.gz AJWUVKFKXVKOPY-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206542393 813344397 /nfs/dbraw/zinc/34/43/97/813344397.db2.gz ZXYXTSJUHYDWOC-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP CCc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1C#N ZINC001206574237 813360110 /nfs/dbraw/zinc/36/01/10/813360110.db2.gz RLAKSTDBTGKAAZ-GOSISDBHSA-N 2 1 285.435 3.072 20 30 CGEDMP C=CC[NH+](CC=C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948577 813907901 /nfs/dbraw/zinc/90/79/01/813907901.db2.gz HAAVHFAWNNZTKE-GOSISDBHSA-N 2 1 270.420 3.183 20 30 CGEDMP C=CC[NH+](CC=C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948577 813907909 /nfs/dbraw/zinc/90/79/09/813907909.db2.gz HAAVHFAWNNZTKE-GOSISDBHSA-N 2 1 270.420 3.183 20 30 CGEDMP C=CCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001209435374 814034579 /nfs/dbraw/zinc/03/45/79/814034579.db2.gz ITSYVDZPDPNYDS-CVEARBPZSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209435374 814034582 /nfs/dbraw/zinc/03/45/82/814034582.db2.gz ITSYVDZPDPNYDS-CVEARBPZSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001209435374 814034586 /nfs/dbraw/zinc/03/45/86/814034586.db2.gz ITSYVDZPDPNYDS-CVEARBPZSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209440670 814040988 /nfs/dbraw/zinc/04/09/88/814040988.db2.gz NSNWHXHNAZZNMQ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1C#N ZINC001235037147 818986105 /nfs/dbraw/zinc/98/61/05/818986105.db2.gz DZIRTDZOCXHVQF-LJQANCHMSA-N 2 1 297.446 3.229 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425137 819093205 /nfs/dbraw/zinc/09/32/05/819093205.db2.gz IKKOZELRDVSFMT-IAGOWNOFSA-N 2 1 297.446 3.078 20 30 CGEDMP C=CCCCC[N@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236084663 819306732 /nfs/dbraw/zinc/30/67/32/819306732.db2.gz DHIPVVYBYADFSA-UHFFFAOYSA-N 2 1 250.430 3.054 20 30 CGEDMP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(C#N)c1 ZINC001236245032 819402270 /nfs/dbraw/zinc/40/22/70/819402270.db2.gz PGOLBAXXPWLIEK-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1cccc(C#N)c1 ZINC001236245032 819402278 /nfs/dbraw/zinc/40/22/78/819402278.db2.gz PGOLBAXXPWLIEK-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412529 819458892 /nfs/dbraw/zinc/45/88/92/819458892.db2.gz WHZGJSQVISRSFY-ZSHCYNCHSA-N 2 1 252.446 3.277 20 30 CGEDMP C=CCCCCCCCC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417076 819462479 /nfs/dbraw/zinc/46/24/79/819462479.db2.gz WSPLQDDRENDGHA-ZSHCYNCHSA-N 2 1 250.430 3.053 20 30 CGEDMP C#Cc1cccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236457106 819484405 /nfs/dbraw/zinc/48/44/05/819484405.db2.gz INZRERBTVGTRAZ-UHFFFAOYSA-N 2 1 284.447 3.268 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001171204430 928200451 /nfs/dbraw/zinc/20/04/51/928200451.db2.gz XRYMRVIFGLNDRI-MDZRGWNJSA-N 2 1 299.462 3.198 20 30 CGEDMP C=CCC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001460886794 937549039 /nfs/dbraw/zinc/54/90/39/937549039.db2.gz QDLAFMQZXNGTGQ-INIZCTEOSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC001461614800 937588702 /nfs/dbraw/zinc/58/87/02/937588702.db2.gz BEGJQMOKIHXBNF-JKSUJKDBSA-N 2 1 252.446 3.299 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000390808337 346574470 /nfs/dbraw/zinc/57/44/70/346574470.db2.gz OGNGSEFGTBHYJC-CEXWTWQISA-N 2 1 284.447 3.453 20 30 CGEDMP CCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000593945819 347121611 /nfs/dbraw/zinc/12/16/11/347121611.db2.gz XRIASWXKMJQVPT-UHFFFAOYSA-N 2 1 296.418 3.137 20 30 CGEDMP CCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000593945819 347121613 /nfs/dbraw/zinc/12/16/13/347121613.db2.gz XRIASWXKMJQVPT-UHFFFAOYSA-N 2 1 296.418 3.137 20 30 CGEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126972 347537607 /nfs/dbraw/zinc/53/76/07/347537607.db2.gz FUEFUAGDQDFLIW-UHFFFAOYSA-N 2 1 285.435 3.015 20 30 CGEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126972 347537611 /nfs/dbraw/zinc/53/76/11/347537611.db2.gz FUEFUAGDQDFLIW-UHFFFAOYSA-N 2 1 285.435 3.015 20 30 CGEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071799 347714666 /nfs/dbraw/zinc/71/46/66/347714666.db2.gz TXKJMLASHPEZPS-VQIMIIECSA-N 2 1 297.446 3.257 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525419 347975647 /nfs/dbraw/zinc/97/56/47/347975647.db2.gz HFTRIACAMNMOQW-QQFBHYJXSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525419 347975649 /nfs/dbraw/zinc/97/56/49/347975649.db2.gz HFTRIACAMNMOQW-QQFBHYJXSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602575268 347985476 /nfs/dbraw/zinc/98/54/76/347985476.db2.gz QVWQLZMPVYQVOP-AQFXKWCLSA-N 2 1 277.456 3.026 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000602645517 347999596 /nfs/dbraw/zinc/99/95/96/347999596.db2.gz JNEUPNLKQZKPOJ-WBVHZDCISA-N 2 1 277.456 3.313 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000602948896 348047123 /nfs/dbraw/zinc/04/71/23/348047123.db2.gz FTGLZNAUJGKWHQ-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609133629 348336837 /nfs/dbraw/zinc/33/68/37/348336837.db2.gz NWXLFPYZEDNTKN-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000358571184 233157474 /nfs/dbraw/zinc/15/74/74/233157474.db2.gz OOJIMSBESPKXAI-KBPBESRZSA-N 2 1 289.398 3.080 20 30 CGEDMP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000176971261 189017245 /nfs/dbraw/zinc/01/72/45/189017245.db2.gz WIQFHPSVEPKUMW-AWEZNQCLSA-N 2 1 279.453 3.076 20 30 CGEDMP C#CCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000150729291 371534716 /nfs/dbraw/zinc/53/47/16/371534716.db2.gz NJTSTHIALQBHOA-UHFFFAOYSA-N 2 1 270.420 3.044 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353412322 220068957 /nfs/dbraw/zinc/06/89/57/220068957.db2.gz LSWODKLTWNGFRC-BEFAXECRSA-N 2 1 297.446 3.400 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442716560 373069159 /nfs/dbraw/zinc/06/91/59/373069159.db2.gz MPXHMLVPQQLNTN-YVSFHVDLSA-N 2 1 277.456 3.026 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442722179 373069227 /nfs/dbraw/zinc/06/92/27/373069227.db2.gz UYIPXNPJSBMNLQ-YJBOKZPZSA-N 2 1 285.435 3.309 20 30 CGEDMP C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767072 373075311 /nfs/dbraw/zinc/07/53/11/373075311.db2.gz LZBGCHAMSNZNBK-NJAFHUGGSA-N 2 1 285.435 3.179 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185385029 374654285 /nfs/dbraw/zinc/65/42/85/374654285.db2.gz MREKWMUVZBKNTF-CYBMUJFWSA-N 2 1 292.398 3.222 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068623 377264164 /nfs/dbraw/zinc/26/41/64/377264164.db2.gz MJJSCNWTVUFDNU-RBUKOAKNSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068623 377264171 /nfs/dbraw/zinc/26/41/71/377264171.db2.gz MJJSCNWTVUFDNU-RBUKOAKNSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248068623 377264176 /nfs/dbraw/zinc/26/41/76/377264176.db2.gz MJJSCNWTVUFDNU-RBUKOAKNSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068623 377264183 /nfs/dbraw/zinc/26/41/83/377264183.db2.gz MJJSCNWTVUFDNU-RBUKOAKNSA-N 2 1 297.446 3.277 20 30 CGEDMP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000562862911 377367064 /nfs/dbraw/zinc/36/70/64/377367064.db2.gz YNPJCAPADWLMPG-KRWDZBQOSA-N 2 1 264.457 3.397 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972909 377501718 /nfs/dbraw/zinc/50/17/18/377501718.db2.gz FBCFCWQSRXOMPN-KRWDZBQOSA-N 2 1 270.420 3.349 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566972909 377501730 /nfs/dbraw/zinc/50/17/30/377501730.db2.gz FBCFCWQSRXOMPN-KRWDZBQOSA-N 2 1 270.420 3.349 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000253355322 377684310 /nfs/dbraw/zinc/68/43/10/377684310.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000253355322 377684318 /nfs/dbraw/zinc/68/43/18/377684318.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000253355322 377684325 /nfs/dbraw/zinc/68/43/25/377684325.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000348049004 378766357 /nfs/dbraw/zinc/76/63/57/378766357.db2.gz HXVRXEBURZIDCE-GOSISDBHSA-N 2 1 294.483 3.167 20 30 CGEDMP C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000375405568 379497344 /nfs/dbraw/zinc/49/73/44/379497344.db2.gz PUBKJWAYFJNUHH-JKSUJKDBSA-N 2 1 288.439 3.486 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446488 380035570 /nfs/dbraw/zinc/03/55/70/380035570.db2.gz BRJYGSGUVCFZBV-MRXNPFEDSA-N 2 1 279.472 3.370 20 30 CGEDMP C=CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309917172 542427873 /nfs/dbraw/zinc/42/78/73/542427873.db2.gz OXBNTAWMLQQAHP-RDJZCZTQSA-N 2 1 258.409 3.063 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181717607 392735408 /nfs/dbraw/zinc/73/54/08/392735408.db2.gz CYNYRBSTFFUQAG-HNNXBMFYSA-N 2 1 283.419 3.249 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335111472 392773345 /nfs/dbraw/zinc/77/33/45/392773345.db2.gz PYPRQSAJWAOELW-OAHLLOKOSA-N 2 1 283.419 3.179 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335111472 392773349 /nfs/dbraw/zinc/77/33/49/392773349.db2.gz PYPRQSAJWAOELW-OAHLLOKOSA-N 2 1 283.419 3.179 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191478 393377563 /nfs/dbraw/zinc/37/75/63/393377563.db2.gz QMDZGYYTUHKVOJ-DOTOQJQBSA-N 2 1 270.420 3.348 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191478 393377566 /nfs/dbraw/zinc/37/75/66/393377566.db2.gz QMDZGYYTUHKVOJ-DOTOQJQBSA-N 2 1 270.420 3.348 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487298596 393451453 /nfs/dbraw/zinc/45/14/53/393451453.db2.gz KQIXUFKUQTVIJZ-HIFRSBDPSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683769175 543939559 /nfs/dbraw/zinc/93/95/59/543939559.db2.gz QMKAVTSXEPIAKO-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662299478 419388573 /nfs/dbraw/zinc/38/85/73/419388573.db2.gz QWHSCYRYJUWJKG-OAHLLOKOSA-N 2 1 270.420 3.120 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CC1 ZINC000663469477 419621458 /nfs/dbraw/zinc/62/14/58/419621458.db2.gz PORMNSULSPDLMV-SJLPKXTDSA-N 2 1 276.468 3.443 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000658239463 419695377 /nfs/dbraw/zinc/69/53/77/419695377.db2.gz VDJHBLTXAHLIBY-BZUAXINKSA-N 2 1 250.430 3.195 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375515 263121111 /nfs/dbraw/zinc/12/11/11/263121111.db2.gz JNCSEUKNNPCGRZ-IAGOWNOFSA-N 2 1 283.419 3.105 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375515 263121112 /nfs/dbraw/zinc/12/11/12/263121112.db2.gz JNCSEUKNNPCGRZ-IAGOWNOFSA-N 2 1 283.419 3.105 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000341693925 274393981 /nfs/dbraw/zinc/39/39/81/274393981.db2.gz HQSKJOMEOYNEFJ-SKDZVZGDSA-N 2 1 283.419 3.008 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000341693925 274393983 /nfs/dbraw/zinc/39/39/83/274393983.db2.gz HQSKJOMEOYNEFJ-SKDZVZGDSA-N 2 1 283.419 3.008 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353389603 275417885 /nfs/dbraw/zinc/41/78/85/275417885.db2.gz SLSVCNBYMCCBPC-LJQANCHMSA-N 2 1 295.430 3.176 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000216004400 278344664 /nfs/dbraw/zinc/34/46/64/278344664.db2.gz NPVYJKMFOOYPEE-JKSUJKDBSA-N 2 1 285.435 3.473 20 30 CGEDMP C=C(C)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423048729 330167078 /nfs/dbraw/zinc/16/70/78/330167078.db2.gz INBYEXIYHVLLKB-RWSFTLGLSA-N 2 1 268.351 3.297 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423100137 330170302 /nfs/dbraw/zinc/17/03/02/330170302.db2.gz GHOOWOLAHGBJGE-RTBURBONSA-N 2 1 294.398 3.486 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423109900 330170824 /nfs/dbraw/zinc/17/08/24/330170824.db2.gz TZHHPJUNKVBUBG-DLBZAZTESA-N 2 1 274.408 3.001 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000089425769 330384886 /nfs/dbraw/zinc/38/48/86/330384886.db2.gz FTJFGCUYRFFKOB-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000089425769 330384887 /nfs/dbraw/zinc/38/48/87/330384887.db2.gz FTJFGCUYRFFKOB-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(OC)cc1 ZINC000089425769 330384888 /nfs/dbraw/zinc/38/48/88/330384888.db2.gz FTJFGCUYRFFKOB-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000089425769 330384889 /nfs/dbraw/zinc/38/48/89/330384889.db2.gz FTJFGCUYRFFKOB-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000502291164 332652690 /nfs/dbraw/zinc/65/26/90/332652690.db2.gz UDGXSBWTNWKBCJ-OIISXLGYSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052359 /nfs/dbraw/zinc/05/23/59/333052359.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052360 /nfs/dbraw/zinc/05/23/60/333052360.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052362 /nfs/dbraw/zinc/05/23/62/333052362.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CC(C)C ZINC000185773196 333148577 /nfs/dbraw/zinc/14/85/77/333148577.db2.gz UPUSYXHQZKSFIW-ULQDDVLXSA-N 2 1 279.472 3.415 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346632642 526872325 /nfs/dbraw/zinc/87/23/25/526872325.db2.gz DHEZAMKCZOGYLJ-TZMCWYRMSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000346632642 526872329 /nfs/dbraw/zinc/87/23/29/526872329.db2.gz DHEZAMKCZOGYLJ-TZMCWYRMSA-N 2 1 294.826 3.074 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000891622132 618242605 /nfs/dbraw/zinc/24/26/05/618242605.db2.gz DHZMWTDGZNSDDV-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411820 619424419 /nfs/dbraw/zinc/42/44/19/619424419.db2.gz OOOBWJHMOWGAMA-SOUVJXGZSA-N 2 1 250.430 3.194 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924958239 619461937 /nfs/dbraw/zinc/46/19/37/619461937.db2.gz DMCCAAVKLYLWNN-CABCVRRESA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924687656 620562946 /nfs/dbraw/zinc/56/29/46/620562946.db2.gz XPUYMFIFILKQEI-XHSDSOJGSA-N 2 1 279.472 3.272 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903453753 621761333 /nfs/dbraw/zinc/76/13/33/621761333.db2.gz KNRYJBXZPDPJCS-MJGOQNOKSA-N 2 1 297.446 3.139 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2csc(C#N)c2)C1 ZINC000921535699 625654039 /nfs/dbraw/zinc/65/40/39/625654039.db2.gz LCQGDTLQKMQLCT-CQSZACIVSA-N 2 1 291.464 3.221 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)CCN1C ZINC000929783728 623640663 /nfs/dbraw/zinc/64/06/63/623640663.db2.gz ZHJQCTCENBPQPC-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@@H+]1C ZINC000929783728 623640664 /nfs/dbraw/zinc/64/06/64/623640664.db2.gz ZHJQCTCENBPQPC-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCCC2(C#N)CCC2)CC[N@H+]1C ZINC000929783728 623640670 /nfs/dbraw/zinc/64/06/70/623640670.db2.gz ZHJQCTCENBPQPC-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783728 623640676 /nfs/dbraw/zinc/64/06/76/623640676.db2.gz ZHJQCTCENBPQPC-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)CC[NH+]1C ZINC000929783728 623640682 /nfs/dbraw/zinc/64/06/82/623640682.db2.gz ZHJQCTCENBPQPC-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848752 623859637 /nfs/dbraw/zinc/85/96/37/623859637.db2.gz UFPZIPWQNPLVNF-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848752 623859641 /nfs/dbraw/zinc/85/96/41/623859641.db2.gz UFPZIPWQNPLVNF-DLBZAZTESA-N 2 1 289.467 3.267 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317412 /nfs/dbraw/zinc/31/74/12/624317412.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 2 1 299.462 3.337 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317415 /nfs/dbraw/zinc/31/74/15/624317415.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 2 1 299.462 3.337 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC1(C#N)CCC1 ZINC000930060721 624391974 /nfs/dbraw/zinc/39/19/74/624391974.db2.gz OIBYXXCCYYGTFF-UHFFFAOYSA-N 2 1 288.439 3.378 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930060721 624391978 /nfs/dbraw/zinc/39/19/78/624391978.db2.gz OIBYXXCCYYGTFF-UHFFFAOYSA-N 2 1 288.439 3.378 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921686654 625834265 /nfs/dbraw/zinc/83/42/65/625834265.db2.gz MOOWUDQNROOHKN-UHFFFAOYSA-N 2 1 299.443 3.361 20 30 CGEDMP C#CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000781902290 628604117 /nfs/dbraw/zinc/60/41/17/628604117.db2.gz AHZDAVFLYUHALK-GOSISDBHSA-N 2 1 270.420 3.217 20 30 CGEDMP C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799724541 630225448 /nfs/dbraw/zinc/22/54/48/630225448.db2.gz FAGDRNRNKGMAEV-IPMKNSEASA-N 2 1 297.446 3.180 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000809606666 630760234 /nfs/dbraw/zinc/76/02/34/630760234.db2.gz ZDHYNJXPDZAFGC-CALCHBBNSA-N 2 1 284.447 3.126 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000872102980 634024165 /nfs/dbraw/zinc/02/41/65/634024165.db2.gz VORXJSSDUKJSFA-KRWDZBQOSA-N 2 1 294.483 3.212 20 30 CGEDMP CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227159 636164308 /nfs/dbraw/zinc/16/43/08/636164308.db2.gz HTAPPNHCARBCGG-GVDBMIGSSA-N 2 1 282.472 3.318 20 30 CGEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)[C@@H]1CCCO1 ZINC000883186896 636572605 /nfs/dbraw/zinc/57/26/05/636572605.db2.gz BJYULGIQUREFPM-ROUUACIJSA-N 2 1 292.467 3.130 20 30 CGEDMP Cc1[nH]c(C2CC[NH+](CCC(C)(C)C#N)CC2)[nH+]c1C ZINC000886660580 637638465 /nfs/dbraw/zinc/63/84/65/637638465.db2.gz ASWCMTJOWSTHHC-UHFFFAOYSA-N 2 1 274.412 3.146 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926634738 638793016 /nfs/dbraw/zinc/79/30/16/638793016.db2.gz ICSSLGFGMYGQLY-JQHSSLGASA-N 2 1 299.462 3.250 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C#N)CCC#N ZINC000859995086 639264462 /nfs/dbraw/zinc/26/44/62/639264462.db2.gz JQQKVICWOPGKNB-SFHVURJKSA-N 2 1 298.434 3.014 20 30 CGEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C#N)CCC#N ZINC000859995086 639264465 /nfs/dbraw/zinc/26/44/65/639264465.db2.gz JQQKVICWOPGKNB-SFHVURJKSA-N 2 1 298.434 3.014 20 30 CGEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cccc(C(C)C)c1)C1CC1 ZINC000303973016 640852352 /nfs/dbraw/zinc/85/23/52/640852352.db2.gz GIZLLXFBILTOKI-UHFFFAOYSA-N 2 1 288.439 3.021 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001254669000 806479487 /nfs/dbraw/zinc/47/94/87/806479487.db2.gz MMHBTJGUOOCTKM-BRWVUGGUSA-N 2 1 275.440 3.019 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529997 806910884 /nfs/dbraw/zinc/91/08/84/806910884.db2.gz HNYUGQJBLXWHBW-BHIYHBOVSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529997 806910887 /nfs/dbraw/zinc/91/08/87/806910887.db2.gz HNYUGQJBLXWHBW-BHIYHBOVSA-N 2 1 284.447 3.431 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001245981516 804093886 /nfs/dbraw/zinc/09/38/86/804093886.db2.gz HQQJBXLEPAZQRW-GVDBMIGSSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001246027150 804101054 /nfs/dbraw/zinc/10/10/54/804101054.db2.gz PDDBTPKTXXOLJI-QGZVFWFLSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])C1 ZINC001246057730 804104170 /nfs/dbraw/zinc/10/41/70/804104170.db2.gz GMBWPWWEEJDJED-DLBZAZTESA-N 2 1 284.488 3.159 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001246069321 804109188 /nfs/dbraw/zinc/10/91/88/804109188.db2.gz XGHSFDXRXJXBTR-ROUUACIJSA-N 2 1 296.499 3.195 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246267933 804247223 /nfs/dbraw/zinc/24/72/23/804247223.db2.gz UDKDOLWVCQTFFO-WOJBJXKFSA-N 2 1 290.410 3.251 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246267931 804248506 /nfs/dbraw/zinc/24/85/06/804248506.db2.gz UDKDOLWVCQTFFO-UXHICEINSA-N 2 1 290.410 3.251 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C1(c2ccccc2F)CC[NH2+]CC1 ZINC001246431895 804329373 /nfs/dbraw/zinc/32/93/73/804329373.db2.gz UONZHYDZWKQNCM-AWEZNQCLSA-N 2 1 276.399 3.349 20 30 CGEDMP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246461931 804342732 /nfs/dbraw/zinc/34/27/32/804342732.db2.gz ANIURFIOVBLHPL-ZACQAIPSSA-N 2 1 284.488 3.482 20 30 CGEDMP C=C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1)c1ccccc1 ZINC001246487457 804357921 /nfs/dbraw/zinc/35/79/21/804357921.db2.gz FMSKTMHIPOPQEV-ZACQAIPSSA-N 2 1 258.409 3.280 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246564950 804414146 /nfs/dbraw/zinc/41/41/46/804414146.db2.gz XUMOTVUFWGGFBU-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623779 804455662 /nfs/dbraw/zinc/45/56/62/804455662.db2.gz LBRSGXQZBKLBLS-MSOLQXFVSA-N 2 1 295.515 3.153 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001246647852 804475721 /nfs/dbraw/zinc/47/57/21/804475721.db2.gz UKLRGFNSVKIDDE-GOEBONIOSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246814935 804532566 /nfs/dbraw/zinc/53/25/66/804532566.db2.gz AJQRJTDKASHTSU-SPYBWZPUSA-N 2 1 282.431 3.138 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246814935 804532570 /nfs/dbraw/zinc/53/25/70/804532570.db2.gz AJQRJTDKASHTSU-SPYBWZPUSA-N 2 1 282.431 3.138 20 30 CGEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256959650 807016087 /nfs/dbraw/zinc/01/60/87/807016087.db2.gz OGULUMQVSSFUNK-KLHKWILBSA-N 2 1 285.435 3.166 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1CCC([NH2+]C)CC1 ZINC001246840819 804549616 /nfs/dbraw/zinc/54/96/16/804549616.db2.gz QQCNBDVZRWGORZ-UHFFFAOYSA-N 2 1 258.409 3.205 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001167837439 807259289 /nfs/dbraw/zinc/25/92/89/807259289.db2.gz KDEYJQBYUVOYFJ-HZPDHXFCSA-N 2 1 265.445 3.123 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258231610 807379267 /nfs/dbraw/zinc/37/92/67/807379267.db2.gz RJPHVQFDMYAKPP-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258231610 807379273 /nfs/dbraw/zinc/37/92/73/807379273.db2.gz RJPHVQFDMYAKPP-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258729015 807576501 /nfs/dbraw/zinc/57/65/01/807576501.db2.gz SBGZZVJAFRVRBW-HRCADAONSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001258729015 807576505 /nfs/dbraw/zinc/57/65/05/807576505.db2.gz SBGZZVJAFRVRBW-HRCADAONSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001258729015 807576513 /nfs/dbraw/zinc/57/65/13/807576513.db2.gz SBGZZVJAFRVRBW-HRCADAONSA-N 2 1 290.476 3.466 20 30 CGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001258729015 807576520 /nfs/dbraw/zinc/57/65/20/807576520.db2.gz SBGZZVJAFRVRBW-HRCADAONSA-N 2 1 290.476 3.466 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001171203094 808008837 /nfs/dbraw/zinc/00/88/37/808008837.db2.gz IXPLBKPQJYOTGZ-INIZCTEOSA-N 2 1 297.446 3.049 20 30 CGEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172485709 808346833 /nfs/dbraw/zinc/34/68/33/808346833.db2.gz SPBQCXLPMMFUDK-KRWDZBQOSA-N 2 1 299.462 3.365 20 30 CGEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001172506803 808362547 /nfs/dbraw/zinc/36/25/47/808362547.db2.gz JSINNCNVVGTGTQ-SJORKVTESA-N 2 1 277.456 3.409 20 30 CGEDMP C=CCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274964429 808894915 /nfs/dbraw/zinc/89/49/15/808894915.db2.gz MEHGSZTVJDYBPD-UHFFFAOYSA-N 2 1 262.441 3.293 20 30 CGEDMP C=CCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274964429 808894922 /nfs/dbraw/zinc/89/49/22/808894922.db2.gz MEHGSZTVJDYBPD-UHFFFAOYSA-N 2 1 262.441 3.293 20 30 CGEDMP CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001275131091 808914677 /nfs/dbraw/zinc/91/46/77/808914677.db2.gz NIPPGSABABBLQP-HDICACEKSA-N 2 1 295.515 3.057 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210585 812909149 /nfs/dbraw/zinc/90/91/49/812909149.db2.gz QAKPATIDYQOPSD-QGZVFWFLSA-N 2 1 282.472 3.079 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205296431 812937755 /nfs/dbraw/zinc/93/77/55/812937755.db2.gz PETIEAWBYLODMP-JKSUJKDBSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C[NH3+] ZINC001205651690 813042807 /nfs/dbraw/zinc/04/28/07/813042807.db2.gz IFSCVOVXKSRLFH-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206319174 813286781 /nfs/dbraw/zinc/28/67/81/813286781.db2.gz ZASLFLVPGANMSP-GOSISDBHSA-N 2 1 288.435 3.202 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001206326317 813290107 /nfs/dbraw/zinc/29/01/07/813290107.db2.gz MWWGTPUWZNLBCQ-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC001208167750 813722394 /nfs/dbraw/zinc/72/23/94/813722394.db2.gz GJSMIYIFQIGCTE-MRXNPFEDSA-N 2 1 250.430 3.173 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)CCC[NH+](C)C)CC1 ZINC001208167750 813722397 /nfs/dbraw/zinc/72/23/97/813722397.db2.gz GJSMIYIFQIGCTE-MRXNPFEDSA-N 2 1 250.430 3.173 20 30 CGEDMP C[N@H+](C1CC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850790 813864662 /nfs/dbraw/zinc/86/46/62/813864662.db2.gz IVJSFDQBFXRJRV-UHFFFAOYSA-N 2 1 297.446 3.049 20 30 CGEDMP C[N@@H+](C1CC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850790 813864671 /nfs/dbraw/zinc/86/46/71/813864671.db2.gz IVJSFDQBFXRJRV-UHFFFAOYSA-N 2 1 297.446 3.049 20 30 CGEDMP N#CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208947841 813906360 /nfs/dbraw/zinc/90/63/60/813906360.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947841 813906365 /nfs/dbraw/zinc/90/63/65/813906365.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 2 1 297.446 3.134 20 30 CGEDMP N#CC[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947841 813906373 /nfs/dbraw/zinc/90/63/73/813906373.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCCCCC[NH+]1CC(C[NH2+]C)C1 ZINC001210561845 814527925 /nfs/dbraw/zinc/52/79/25/814527925.db2.gz WLHMUAATAXUEEV-UHFFFAOYSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072376 819300867 /nfs/dbraw/zinc/30/08/67/819300867.db2.gz GPPMTBGAOCDDDI-GOSISDBHSA-N 2 1 293.499 3.010 20 30 CGEDMP Cc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1C#N ZINC001236456939 819484981 /nfs/dbraw/zinc/48/49/81/819484981.db2.gz HAJZGMPOYJRFBU-UHFFFAOYSA-N 2 1 299.462 3.467 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000328002154 926897366 /nfs/dbraw/zinc/89/73/66/926897366.db2.gz OADKEYFIEJZXMP-MRXNPFEDSA-N 2 1 288.435 3.081 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000328002154 926897374 /nfs/dbraw/zinc/89/73/74/926897374.db2.gz OADKEYFIEJZXMP-MRXNPFEDSA-N 2 1 288.435 3.081 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001561052449 938291890 /nfs/dbraw/zinc/29/18/90/938291890.db2.gz BEJGMXBHCLVRHO-YHUYYLMFSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1F ZINC000591582957 346930254 /nfs/dbraw/zinc/93/02/54/346930254.db2.gz VLMOVOICEBWGPC-OCCSQVGLSA-N 2 1 287.382 3.023 20 30 CGEDMP CC#CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000157587490 136388030 /nfs/dbraw/zinc/38/80/30/136388030.db2.gz CBWRJEBLZQBMGY-UHFFFAOYSA-N 2 1 285.435 3.033 20 30 CGEDMP C[N@@H+]1CCCC12CC[NH+](CCCCC(C)(C)C#N)CC2 ZINC000365625552 346548596 /nfs/dbraw/zinc/54/85/96/346548596.db2.gz MGELZUMEAZOBEX-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C[N@H+]1CCCC12CC[NH+](CCCCC(C)(C)C#N)CC2 ZINC000365625552 346548601 /nfs/dbraw/zinc/54/86/01/346548601.db2.gz MGELZUMEAZOBEX-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734673 346624891 /nfs/dbraw/zinc/62/48/91/346624891.db2.gz SLTGRGKIYQQQHC-WMZOPIPTSA-N 2 1 299.462 3.426 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496112 347178595 /nfs/dbraw/zinc/17/85/95/347178595.db2.gz HHAVRRYBTHIZTD-KRWDZBQOSA-N 2 1 299.462 3.308 20 30 CGEDMP N#Cc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517218 347186397 /nfs/dbraw/zinc/18/63/97/347186397.db2.gz IHJLMYJJLISFPQ-ZWKOTPCHSA-N 2 1 295.430 3.154 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736551 /nfs/dbraw/zinc/73/65/51/347736551.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736556 /nfs/dbraw/zinc/73/65/56/347736556.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736560 /nfs/dbraw/zinc/73/65/60/347736560.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 2 1 285.435 3.029 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C#N ZINC000600712563 347830302 /nfs/dbraw/zinc/83/03/02/347830302.db2.gz YOBKSEKCNOLYCR-QZTJIDSGSA-N 2 1 297.446 3.078 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000601289551 347889308 /nfs/dbraw/zinc/88/93/08/347889308.db2.gz OOLYVHQEUKAQSC-XGXHKWSGSA-N 2 1 297.446 3.036 20 30 CGEDMP C[N@@H+](CCC[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602500948 347970650 /nfs/dbraw/zinc/97/06/50/347970650.db2.gz DGQJFMUIDDBSPH-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000602524749 347975513 /nfs/dbraw/zinc/97/55/13/347975513.db2.gz DOCBDQNCSMCWDO-CABCVRRESA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000602524749 347975516 /nfs/dbraw/zinc/97/55/16/347975516.db2.gz DOCBDQNCSMCWDO-CABCVRRESA-N 2 1 265.445 3.026 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123066 349981554 /nfs/dbraw/zinc/98/15/54/349981554.db2.gz FGLHPAUNRMQARZ-BBWFWOEESA-N 2 1 264.457 3.443 20 30 CGEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391064 348444684 /nfs/dbraw/zinc/44/46/84/348444684.db2.gz OZRPEIKSPPWVCO-GOSISDBHSA-N 2 1 294.402 3.121 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755566 349282501 /nfs/dbraw/zinc/28/25/01/349282501.db2.gz ZRYAYFFEUVKADC-WBMJQRKESA-N 2 1 291.826 3.032 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755566 349282505 /nfs/dbraw/zinc/28/25/05/349282505.db2.gz ZRYAYFFEUVKADC-WBMJQRKESA-N 2 1 291.826 3.032 20 30 CGEDMP C=CC[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703014 350199419 /nfs/dbraw/zinc/19/94/19/350199419.db2.gz PRAKPMYYUMBZJZ-FBLDJFESSA-N 2 1 274.452 3.339 20 30 CGEDMP C=CC[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703014 350199423 /nfs/dbraw/zinc/19/94/23/350199423.db2.gz PRAKPMYYUMBZJZ-FBLDJFESSA-N 2 1 274.452 3.339 20 30 CGEDMP C=CC[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703014 350199426 /nfs/dbraw/zinc/19/94/26/350199426.db2.gz PRAKPMYYUMBZJZ-FBLDJFESSA-N 2 1 274.452 3.339 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631582689 351076969 /nfs/dbraw/zinc/07/69/69/351076969.db2.gz UDMHVWINUQVMFH-SFHVURJKSA-N 2 1 285.435 3.089 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000336482152 283058242 /nfs/dbraw/zinc/05/82/42/283058242.db2.gz HUHSRDLRZGIYLX-GDBMZVCRSA-N 2 1 298.434 3.091 20 30 CGEDMP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103649 189346594 /nfs/dbraw/zinc/34/65/94/189346594.db2.gz HEVIFHPXPVFQMY-MAUKXSAKSA-N 2 1 297.446 3.301 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574247972 335003737 /nfs/dbraw/zinc/00/37/37/335003737.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247972 335003738 /nfs/dbraw/zinc/00/37/38/335003738.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574247972 335003739 /nfs/dbraw/zinc/00/37/39/335003739.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 2 1 262.441 3.291 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000152939167 371737871 /nfs/dbraw/zinc/73/78/71/371737871.db2.gz QCNAOPLPSUGPHY-CQSZACIVSA-N 2 1 278.465 3.309 20 30 CGEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423272904 372046931 /nfs/dbraw/zinc/04/69/31/372046931.db2.gz ZPPMOZJNRJKSIV-WMZOPIPTSA-N 2 1 285.435 3.289 20 30 CGEDMP Cc1[nH+]ccn1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433025444 372577349 /nfs/dbraw/zinc/57/73/49/372577349.db2.gz KSMYJOLTHNFUQQ-QGZVFWFLSA-N 2 1 282.391 3.216 20 30 CGEDMP N#CCCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434746763 372706750 /nfs/dbraw/zinc/70/67/50/372706750.db2.gz KGJWECSXHXLEBS-UHFFFAOYSA-N 2 1 286.423 3.093 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723059 373069833 /nfs/dbraw/zinc/06/98/33/373069833.db2.gz WQPKCWLXQSRZDL-GVDBMIGSSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CCN1C ZINC000181574812 374141776 /nfs/dbraw/zinc/14/17/76/374141776.db2.gz JQMIHSWCZRFBMK-PVAVHDDUSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000181574812 374141784 /nfs/dbraw/zinc/14/17/84/374141784.db2.gz JQMIHSWCZRFBMK-PVAVHDDUSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574812 374141792 /nfs/dbraw/zinc/14/17/92/374141792.db2.gz JQMIHSWCZRFBMK-PVAVHDDUSA-N 2 1 271.408 3.104 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187977975 375129829 /nfs/dbraw/zinc/12/98/29/375129829.db2.gz KSBMKVRWQMJWDA-HNNXBMFYSA-N 2 1 290.426 3.387 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377467978 /nfs/dbraw/zinc/46/79/78/377467978.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377467982 /nfs/dbraw/zinc/46/79/82/377467982.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377467987 /nfs/dbraw/zinc/46/79/87/377467987.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 2 1 285.435 3.029 20 30 CGEDMP C=C(C)[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000274892634 378914570 /nfs/dbraw/zinc/91/45/70/378914570.db2.gz PZIIGSINJXEZCW-INIZCTEOSA-N 2 1 291.345 3.377 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277383333 379147111 /nfs/dbraw/zinc/14/71/11/379147111.db2.gz YKAASGIKDNWXIO-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277383333 379147116 /nfs/dbraw/zinc/14/71/16/379147116.db2.gz YKAASGIKDNWXIO-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000414296151 380207203 /nfs/dbraw/zinc/20/72/03/380207203.db2.gz FYHMYVMXBBOVIV-JQHSSLGASA-N 2 1 272.436 3.246 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000414296151 380207210 /nfs/dbraw/zinc/20/72/10/380207210.db2.gz FYHMYVMXBBOVIV-JQHSSLGASA-N 2 1 272.436 3.246 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000360969343 381635531 /nfs/dbraw/zinc/63/55/31/381635531.db2.gz RHRVRGGKCVKQLM-FUHWJXTLSA-N 2 1 270.420 3.043 20 30 CGEDMP CC#CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000360969343 381635534 /nfs/dbraw/zinc/63/55/34/381635534.db2.gz RHRVRGGKCVKQLM-FUHWJXTLSA-N 2 1 270.420 3.043 20 30 CGEDMP C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866305 382322015 /nfs/dbraw/zinc/32/20/15/382322015.db2.gz AWLQWRKMNQJGQS-FUHWJXTLSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189960092 130044800 /nfs/dbraw/zinc/04/48/00/130044800.db2.gz IJXOFUGBPIQVDD-BYICEURKSA-N 2 1 272.436 3.309 20 30 CGEDMP C=C(C)CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282032476 392275325 /nfs/dbraw/zinc/27/53/25/392275325.db2.gz KZXCSENAHVJFCA-HNNXBMFYSA-N 2 1 273.424 3.365 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404052426 392962616 /nfs/dbraw/zinc/96/26/16/392962616.db2.gz KILBOSSXTDDCGL-CQSZACIVSA-N 2 1 289.398 3.051 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404052426 392962622 /nfs/dbraw/zinc/96/26/22/392962622.db2.gz KILBOSSXTDDCGL-CQSZACIVSA-N 2 1 289.398 3.051 20 30 CGEDMP Cc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000443999880 393782010 /nfs/dbraw/zinc/78/20/10/393782010.db2.gz FFECVWLXPXSVMO-INIZCTEOSA-N 2 1 285.435 3.221 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694678 543118642 /nfs/dbraw/zinc/11/86/42/543118642.db2.gz DCHVLGXFJFFXTC-HOTGVXAUSA-N 2 1 285.435 3.201 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694678 543118644 /nfs/dbraw/zinc/11/86/44/543118644.db2.gz DCHVLGXFJFFXTC-HOTGVXAUSA-N 2 1 285.435 3.201 20 30 CGEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000037200226 260074152 /nfs/dbraw/zinc/07/41/52/260074152.db2.gz NNMFLLLWHNSADL-HOTGVXAUSA-N 2 1 285.435 3.473 20 30 CGEDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000037200226 260074153 /nfs/dbraw/zinc/07/41/53/260074153.db2.gz NNMFLLLWHNSADL-HOTGVXAUSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251602 419093760 /nfs/dbraw/zinc/09/37/60/419093760.db2.gz UFLKIQFHPXCTAM-USXIJHARSA-N 2 1 258.409 3.076 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657531419 419299616 /nfs/dbraw/zinc/29/96/16/419299616.db2.gz YRFAFGTXAWMFGY-QZWWFDLISA-N 2 1 262.441 3.338 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466064 419616239 /nfs/dbraw/zinc/61/62/39/419616239.db2.gz NRBPFYFNQKIVAV-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028277 288090460 /nfs/dbraw/zinc/09/04/60/288090460.db2.gz XXQYCZOJPZUFHD-BZSNNMDCSA-N 2 1 283.419 3.226 20 30 CGEDMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000414187797 280188058 /nfs/dbraw/zinc/18/80/58/280188058.db2.gz PYXFECSOVFRNDW-FUHWJXTLSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000274638634 328212279 /nfs/dbraw/zinc/21/22/79/328212279.db2.gz QRCJZSSKHZLWKA-BVBHFADKSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000274638634 328212281 /nfs/dbraw/zinc/21/22/81/328212281.db2.gz QRCJZSSKHZLWKA-BVBHFADKSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715962 328216444 /nfs/dbraw/zinc/21/64/44/328216444.db2.gz XZSWVHHDLJFSOI-NVXWUHKLSA-N 2 1 258.409 3.063 20 30 CGEDMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794693 329332087 /nfs/dbraw/zinc/33/20/87/329332087.db2.gz DOQQYOFBNLFFLB-HRCADAONSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794693 329332089 /nfs/dbraw/zinc/33/20/89/329332089.db2.gz DOQQYOFBNLFFLB-HRCADAONSA-N 2 1 277.456 3.169 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146225 330121704 /nfs/dbraw/zinc/12/17/04/330121704.db2.gz ZORLFDVCKZOYOH-QFBILLFUSA-N 2 1 296.458 3.411 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000537049248 330394739 /nfs/dbraw/zinc/39/47/39/330394739.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000537049248 330394740 /nfs/dbraw/zinc/39/47/40/330394740.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049248 330394741 /nfs/dbraw/zinc/39/47/41/330394741.db2.gz YGWRMGMJXCFIJR-RDJZCZTQSA-N 2 1 264.457 3.395 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488436102 332008138 /nfs/dbraw/zinc/00/81/38/332008138.db2.gz WZUGKYRQERIIGA-HOTGVXAUSA-N 2 1 282.497 3.147 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000924561307 618834767 /nfs/dbraw/zinc/83/47/67/618834767.db2.gz VGIOJNHFRRNILS-CQSZACIVSA-N 2 1 265.445 3.169 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897969104 620459300 /nfs/dbraw/zinc/45/93/00/620459300.db2.gz DVJXXCNHYWXOOU-BRWVUGGUSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897969104 620459301 /nfs/dbraw/zinc/45/93/01/620459301.db2.gz DVJXXCNHYWXOOU-BRWVUGGUSA-N 2 1 284.488 3.170 20 30 CGEDMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902789478 621447404 /nfs/dbraw/zinc/44/74/04/621447404.db2.gz HBTWAASVPANMMW-KDOFPFPSSA-N 2 1 296.418 3.440 20 30 CGEDMP N#CC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903168009 621617729 /nfs/dbraw/zinc/61/77/29/621617729.db2.gz RRCSECYCMVSITG-CJHMKJBKSA-N 2 1 287.451 3.064 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381280 621722627 /nfs/dbraw/zinc/72/26/27/621722627.db2.gz UTZIWUKAQMTVMK-GOEBONIOSA-N 2 1 261.413 3.019 20 30 CGEDMP C[N@@H+](CCCCCC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903482324 621765294 /nfs/dbraw/zinc/76/52/94/621765294.db2.gz BZKGUDPYXOAHLX-UHFFFAOYSA-N 2 1 279.815 3.163 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000768262224 627471589 /nfs/dbraw/zinc/47/15/89/627471589.db2.gz IBKAXYBVUPTKKB-UHFFFAOYSA-N 2 1 293.414 3.252 20 30 CGEDMP C#CCCC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771476330 627712406 /nfs/dbraw/zinc/71/24/06/627712406.db2.gz ZDIALSAILSDWEH-UHFFFAOYSA-N 2 1 276.468 3.234 20 30 CGEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000799177671 630153322 /nfs/dbraw/zinc/15/33/22/630153322.db2.gz AUCFJHTZJRSICT-UHFFFAOYSA-N 2 1 297.446 3.060 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000817959494 632254934 /nfs/dbraw/zinc/25/49/34/632254934.db2.gz GQLYQNXMVQNJEY-WBMJQRKESA-N 2 1 294.826 3.206 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000877009750 634948977 /nfs/dbraw/zinc/94/89/77/634948977.db2.gz YQTYLJRZQGNVPT-UHFFFAOYSA-N 2 1 272.436 3.086 20 30 CGEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738743 635173147 /nfs/dbraw/zinc/17/31/47/635173147.db2.gz CVEFWGVERXDTDU-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738743 635173155 /nfs/dbraw/zinc/17/31/55/635173155.db2.gz CVEFWGVERXDTDU-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738743 635173163 /nfs/dbraw/zinc/17/31/63/635173163.db2.gz CVEFWGVERXDTDU-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738743 635173168 /nfs/dbraw/zinc/17/31/68/635173168.db2.gz CVEFWGVERXDTDU-WMZOPIPTSA-N 2 1 297.446 3.014 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222623 636163275 /nfs/dbraw/zinc/16/32/75/636163275.db2.gz KYNQKRKHESKSIA-YESZJQIVSA-N 2 1 282.472 3.175 20 30 CGEDMP C=CCCCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848550541 636601983 /nfs/dbraw/zinc/60/19/83/636601983.db2.gz PZVGULKGMGOKHE-GOSISDBHSA-N 2 1 294.483 3.356 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109101 637598592 /nfs/dbraw/zinc/59/85/92/637598592.db2.gz VMCRCXDVQKLCHU-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852109101 637598594 /nfs/dbraw/zinc/59/85/94/637598594.db2.gz VMCRCXDVQKLCHU-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852109101 637598598 /nfs/dbraw/zinc/59/85/98/637598598.db2.gz VMCRCXDVQKLCHU-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP N#CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926133842 638718285 /nfs/dbraw/zinc/71/82/85/638718285.db2.gz TVWBDBSUMJHMAP-YQQQUEKLSA-N 2 1 297.446 3.465 20 30 CGEDMP C[N@@H+]1CCCC12CC[NH+](CCCCC1(C#N)CCC1)CC2 ZINC000930171939 638979157 /nfs/dbraw/zinc/97/91/57/638979157.db2.gz XKKDFADZACRZIG-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP C[N@H+]1CCCC12CC[NH+](CCCCC1(C#N)CCC1)CC2 ZINC000930171939 638979159 /nfs/dbraw/zinc/97/91/59/638979159.db2.gz XKKDFADZACRZIG-UHFFFAOYSA-N 2 1 289.467 3.411 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035735 /nfs/dbraw/zinc/03/57/35/639035735.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035738 /nfs/dbraw/zinc/03/57/38/639035738.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 2 1 289.467 3.268 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C#N)CCC#N ZINC000859994985 639264495 /nfs/dbraw/zinc/26/44/95/639264495.db2.gz JQQKVICWOPGKNB-GOSISDBHSA-N 2 1 298.434 3.014 20 30 CGEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C#N)CCC#N ZINC000859994985 639264499 /nfs/dbraw/zinc/26/44/99/639264499.db2.gz JQQKVICWOPGKNB-GOSISDBHSA-N 2 1 298.434 3.014 20 30 CGEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303705388 640839180 /nfs/dbraw/zinc/83/91/80/640839180.db2.gz KWRIQIBVEYZQNC-MRXNPFEDSA-N 2 1 288.439 3.021 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254507259 806427380 /nfs/dbraw/zinc/42/73/80/806427380.db2.gz AFBLEWHWINYXHG-JKSUJKDBSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254507259 806427383 /nfs/dbraw/zinc/42/73/83/806427383.db2.gz AFBLEWHWINYXHG-JKSUJKDBSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525085 806439511 /nfs/dbraw/zinc/43/95/11/806439511.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525085 806439515 /nfs/dbraw/zinc/43/95/15/806439515.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254525085 806439517 /nfs/dbraw/zinc/43/95/17/806439517.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 2 1 258.409 3.159 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381375517 799378698 /nfs/dbraw/zinc/37/86/98/799378698.db2.gz JRSZJQQEQRXHAF-MRXNPFEDSA-N 2 1 262.441 3.034 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381375517 799378706 /nfs/dbraw/zinc/37/87/06/799378706.db2.gz JRSZJQQEQRXHAF-MRXNPFEDSA-N 2 1 262.441 3.034 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000392749887 799482468 /nfs/dbraw/zinc/48/24/68/799482468.db2.gz CFRPZMRRMNRHRA-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000392749887 799482473 /nfs/dbraw/zinc/48/24/73/799482473.db2.gz CFRPZMRRMNRHRA-ZDUSSCGKSA-N 2 1 298.352 3.311 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000392812975 799483471 /nfs/dbraw/zinc/48/34/71/799483471.db2.gz NKGFAYJBHZXBAK-INIZCTEOSA-N 2 1 280.415 3.446 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000392812975 799483476 /nfs/dbraw/zinc/48/34/76/799483476.db2.gz NKGFAYJBHZXBAK-INIZCTEOSA-N 2 1 280.415 3.446 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716718117 800178991 /nfs/dbraw/zinc/17/89/91/800178991.db2.gz MZUMFWXNWFPPCS-BBWFWOEESA-N 2 1 290.838 3.382 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718117 800178997 /nfs/dbraw/zinc/17/89/97/800178997.db2.gz MZUMFWXNWFPPCS-BBWFWOEESA-N 2 1 290.838 3.382 20 30 CGEDMP C#CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000720057190 800252426 /nfs/dbraw/zinc/25/24/26/800252426.db2.gz RMOFHKSBCSUYDQ-UHFFFAOYSA-N 2 1 284.447 3.244 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026990 804099962 /nfs/dbraw/zinc/09/99/62/804099962.db2.gz GUEBLARFHIOTAM-MSOLQXFVSA-N 2 1 294.483 3.092 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026990 804099972 /nfs/dbraw/zinc/09/99/72/804099972.db2.gz GUEBLARFHIOTAM-MSOLQXFVSA-N 2 1 294.483 3.092 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246059881 804105344 /nfs/dbraw/zinc/10/53/44/804105344.db2.gz CBNLYXVKYNJHHY-YESZJQIVSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001246069470 804108578 /nfs/dbraw/zinc/10/85/78/804108578.db2.gz XYACMDNMUWPPIY-ROUUACIJSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246295964 804264332 /nfs/dbraw/zinc/26/43/32/804264332.db2.gz QEMFEGSNNCBGBM-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@](F)(C[NH3+])CC3)C[C@H](C1)C2 ZINC001246547372 804396949 /nfs/dbraw/zinc/39/69/49/804396949.db2.gz HYHVRIAQHJBSSC-WFVVYAPDSA-N 2 1 280.431 3.274 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)C[C@H](C1)C2 ZINC001246561987 804410624 /nfs/dbraw/zinc/41/06/24/804410624.db2.gz VGCXEFDDQGUXAC-ATICWTEVSA-N 2 1 276.468 3.428 20 30 CGEDMP CCCC[C@H]1C[C@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588814 804432441 /nfs/dbraw/zinc/43/24/41/804432441.db2.gz AUCNRBSRZUXTLN-RBUKOAKNSA-N 2 1 297.446 3.227 20 30 CGEDMP CCCC[C@H]1C[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588814 804432444 /nfs/dbraw/zinc/43/24/44/804432444.db2.gz AUCNRBSRZUXTLN-RBUKOAKNSA-N 2 1 297.446 3.227 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246647700 804475801 /nfs/dbraw/zinc/47/58/01/804475801.db2.gz VERLSZZJTUNFAX-MSOLQXFVSA-N 2 1 296.499 3.437 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246649844 804477195 /nfs/dbraw/zinc/47/71/95/804477195.db2.gz QEDAYQBATMUZAV-DLBZAZTESA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246675003 804490280 /nfs/dbraw/zinc/49/02/80/804490280.db2.gz QGRBMIPRRDJXIS-OWCLPIDISA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001246675004 804490544 /nfs/dbraw/zinc/49/05/44/804490544.db2.gz QGRBMIPRRDJXIS-PMPSAXMXSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246939316 804609800 /nfs/dbraw/zinc/60/98/00/804609800.db2.gz RMDUSLRIXBQHKI-YESZJQIVSA-N 2 1 284.488 3.156 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246939316 804609804 /nfs/dbraw/zinc/60/98/04/804609804.db2.gz RMDUSLRIXBQHKI-YESZJQIVSA-N 2 1 284.488 3.156 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246949368 804616272 /nfs/dbraw/zinc/61/62/72/804616272.db2.gz OSSMGXQZSXKAPN-MIFYACCESA-N 2 1 250.430 3.336 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](CCC)C[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246976510 804624810 /nfs/dbraw/zinc/62/48/10/804624810.db2.gz QWFYVBRKXVRWBH-XNHLSEOASA-N 2 1 276.468 3.443 20 30 CGEDMP CC(C)(C)C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972849 807290638 /nfs/dbraw/zinc/29/06/38/807290638.db2.gz CRNPFAAYOMYZIN-ALOPSCKCSA-N 2 1 274.452 3.031 20 30 CGEDMP CC(C)(C)C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972849 807290643 /nfs/dbraw/zinc/29/06/43/807290643.db2.gz CRNPFAAYOMYZIN-ALOPSCKCSA-N 2 1 274.452 3.031 20 30 CGEDMP N#Cc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168360336 807392402 /nfs/dbraw/zinc/39/24/02/807392402.db2.gz OFTYPZKOBSMMCA-UHFFFAOYSA-N 2 1 295.430 3.011 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001168825502 807520438 /nfs/dbraw/zinc/52/04/38/807520438.db2.gz JRASPWHERFBPEK-QGZVFWFLSA-N 2 1 299.462 3.422 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@H+](CC[NH3+])CCO ZINC001258715520 807565502 /nfs/dbraw/zinc/56/55/02/807565502.db2.gz HIIBCOWTNRPGPS-MRXNPFEDSA-N 2 1 272.477 3.015 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@@H+](CC[NH3+])CCO ZINC001258715520 807565505 /nfs/dbraw/zinc/56/55/05/807565505.db2.gz HIIBCOWTNRPGPS-MRXNPFEDSA-N 2 1 272.477 3.015 20 30 CGEDMP C=CCC[C@H](C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258728239 807574550 /nfs/dbraw/zinc/57/45/50/807574550.db2.gz NJODZKABHGWIOL-JKSUJKDBSA-N 2 1 294.483 3.353 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+]CCC[N@@H+](C)CCO ZINC001172509244 808366131 /nfs/dbraw/zinc/36/61/31/808366131.db2.gz UQEUKLUXFVJGHY-QGZVFWFLSA-N 2 1 286.504 3.419 20 30 CGEDMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001173114322 808513685 /nfs/dbraw/zinc/51/36/85/808513685.db2.gz GLHDSTDNHWSAFU-GTPINHCMSA-N 2 1 277.456 3.265 20 30 CGEDMP CCC[N@@H+](CCC#N)C1CCC([NH+](CC)CC)CC1 ZINC001173111923 808513923 /nfs/dbraw/zinc/51/39/23/808513923.db2.gz NJGBIMFXVJHQFX-UHFFFAOYSA-N 2 1 265.445 3.265 20 30 CGEDMP CCCC[N@@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584746 808646380 /nfs/dbraw/zinc/64/63/80/808646380.db2.gz JTTNGXBGDARQGQ-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173591961 808648945 /nfs/dbraw/zinc/64/89/45/808648945.db2.gz AIWNDXRYGWLMQQ-SOEBMCCKSA-N 2 1 277.456 3.167 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001201840201 811969791 /nfs/dbraw/zinc/96/97/91/811969791.db2.gz OSMGGCMHCAOFLO-JKSUJKDBSA-N 2 1 252.446 3.373 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001205735237 813064706 /nfs/dbraw/zinc/06/47/06/813064706.db2.gz LDTNSQCRLRBBJS-HUUCEWRRSA-N 2 1 284.394 3.205 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001205735237 813064713 /nfs/dbraw/zinc/06/47/13/813064713.db2.gz LDTNSQCRLRBBJS-HUUCEWRRSA-N 2 1 284.394 3.205 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206336293 813294103 /nfs/dbraw/zinc/29/41/03/813294103.db2.gz LBUTUEGABDCTKW-SFHVURJKSA-N 2 1 285.435 3.072 20 30 CGEDMP CC[NH+]1CCC(C[N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001208593296 813768780 /nfs/dbraw/zinc/76/87/80/813768780.db2.gz GRBWEIVYRPRSDZ-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP CC[NH+]1CCC(C[N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001208593296 813768783 /nfs/dbraw/zinc/76/87/83/813768783.db2.gz GRBWEIVYRPRSDZ-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C=CCCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335350 816411112 /nfs/dbraw/zinc/41/11/12/816411112.db2.gz IHJUDYHDGWQMNW-UHFFFAOYSA-N 2 1 250.430 3.198 20 30 CGEDMP C=CCCCCCC[N@H+]1CCCC12CC[NH2+]CC2 ZINC001235139971 819014914 /nfs/dbraw/zinc/01/49/14/819014914.db2.gz FOCGBEZGNHETMC-UHFFFAOYSA-N 2 1 250.430 3.341 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189989 819029924 /nfs/dbraw/zinc/02/99/24/819029924.db2.gz BUWDKIXXSGIKRR-UHFFFAOYSA-N 2 1 297.446 3.229 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001235399178 819084516 /nfs/dbraw/zinc/08/45/16/819084516.db2.gz ZINQPDCIIOCGJP-HUUCEWRRSA-N 2 1 270.436 3.356 20 30 CGEDMP C#Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236374566 819442971 /nfs/dbraw/zinc/44/29/71/819442971.db2.gz DZWGHQFSVUHDKO-LJQANCHMSA-N 2 1 296.458 3.412 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236434565 819477932 /nfs/dbraw/zinc/47/79/32/819477932.db2.gz NFFJMFNMMURASN-HNNXBMFYSA-N 2 1 256.409 3.276 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236434565 819477928 /nfs/dbraw/zinc/47/79/28/819477928.db2.gz NFFJMFNMMURASN-HNNXBMFYSA-N 2 1 256.409 3.276 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236605335 819549789 /nfs/dbraw/zinc/54/97/89/819549789.db2.gz MEFYDONOPMFRRT-MRXNPFEDSA-N 2 1 297.446 3.085 20 30 CGEDMP C=CCCCC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275414 819713861 /nfs/dbraw/zinc/71/38/61/819713861.db2.gz NDOATPFZSNNDBD-UHFFFAOYSA-N 2 1 284.447 3.480 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001346196190 936841454 /nfs/dbraw/zinc/84/14/54/936841454.db2.gz YIJBXJIIOSDJGH-QKPAOTATSA-N 2 1 250.430 3.194 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000591576965 346929245 /nfs/dbraw/zinc/92/92/45/346929245.db2.gz MNYAQTAVLGIYDZ-RTBURBONSA-N 2 1 297.446 3.433 20 30 CGEDMP C=CCOc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623521164 349826141 /nfs/dbraw/zinc/82/61/41/349826141.db2.gz MBDFSCUULQWJJV-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623521164 349826146 /nfs/dbraw/zinc/82/61/46/349826146.db2.gz MBDFSCUULQWJJV-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095910 347382547 /nfs/dbraw/zinc/38/25/47/347382547.db2.gz RBLSBUDVSVCQQM-QAPCUYQASA-N 2 1 297.446 3.331 20 30 CGEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597120156 347537411 /nfs/dbraw/zinc/53/74/11/347537411.db2.gz CGAZQLKJAJUBQJ-UHFFFAOYSA-N 2 1 297.446 3.159 20 30 CGEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597120156 347537415 /nfs/dbraw/zinc/53/74/15/347537415.db2.gz CGAZQLKJAJUBQJ-UHFFFAOYSA-N 2 1 297.446 3.159 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535152 347977301 /nfs/dbraw/zinc/97/73/01/347977301.db2.gz OAMRNIADLJVWLT-MJGOQNOKSA-N 2 1 299.462 3.080 20 30 CGEDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000358561313 233155460 /nfs/dbraw/zinc/15/54/60/233155460.db2.gz GIWQCQUPYTUPRM-AEGPPILISA-N 2 1 289.398 3.221 20 30 CGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755662 349282618 /nfs/dbraw/zinc/28/26/18/349282618.db2.gz OUFIHQDCPSIVMQ-UHFFFAOYSA-N 2 1 291.826 3.176 20 30 CGEDMP C[C@H]1C[C@H](N(C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933568 188288975 /nfs/dbraw/zinc/28/89/75/188288975.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933568 188288977 /nfs/dbraw/zinc/28/89/77/188288977.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933568 188288979 /nfs/dbraw/zinc/28/89/79/188288979.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933568 188288980 /nfs/dbraw/zinc/28/89/80/188288980.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 2 1 285.435 3.275 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCCC#N)CC[NH+]1Cc1ccccc1 ZINC000156933568 188288982 /nfs/dbraw/zinc/28/89/82/188288982.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 2 1 285.435 3.275 20 30 CGEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177583196 189058423 /nfs/dbraw/zinc/05/84/23/189058423.db2.gz XSKDKAUYEIGHFN-UHFFFAOYSA-N 2 1 297.446 3.445 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181978822 189311220 /nfs/dbraw/zinc/31/12/20/189311220.db2.gz SSLHZABGTNZCEJ-CQSZACIVSA-N 2 1 282.391 3.194 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000153014567 371743233 /nfs/dbraw/zinc/74/32/33/371743233.db2.gz XOHMHOQBXWUPDV-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854659 373105179 /nfs/dbraw/zinc/10/51/79/373105179.db2.gz LDVRLYQQBJMNNO-BFYDXBDKSA-N 2 1 275.440 3.065 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000183370460 374406337 /nfs/dbraw/zinc/40/63/37/374406337.db2.gz UZNGCYPOYTYLBE-GOSISDBHSA-N 2 1 285.435 3.495 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000230713895 376541273 /nfs/dbraw/zinc/54/12/73/376541273.db2.gz VGMJSBUDROTDPD-UHFFFAOYSA-N 2 1 273.424 3.112 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000230713895 376541280 /nfs/dbraw/zinc/54/12/80/376541280.db2.gz VGMJSBUDROTDPD-UHFFFAOYSA-N 2 1 273.424 3.112 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000542475446 376547232 /nfs/dbraw/zinc/54/72/32/376547232.db2.gz WOZOMWJSXYTAGA-BFYDXBDKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000543403814 376637211 /nfs/dbraw/zinc/63/72/11/376637211.db2.gz VJKJRMBJRUYQNO-HNNXBMFYSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000562697632 377349891 /nfs/dbraw/zinc/34/98/91/377349891.db2.gz ACMYDTVLRBSXGG-MRXNPFEDSA-N 2 1 250.430 3.293 20 30 CGEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000264289319 377972467 /nfs/dbraw/zinc/97/24/67/377972467.db2.gz PMJVGQUBCKMEAE-CYBMUJFWSA-N 2 1 288.439 3.019 20 30 CGEDMP C=C(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779141 378687858 /nfs/dbraw/zinc/68/78/58/378687858.db2.gz MSVWBGJOLUTUFR-ZMSDIMECSA-N 2 1 258.409 3.018 20 30 CGEDMP C=C(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779138 378688088 /nfs/dbraw/zinc/68/80/88/378688088.db2.gz MSVWBGJOLUTUFR-YQQAZPJKSA-N 2 1 258.409 3.018 20 30 CGEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812571 378708188 /nfs/dbraw/zinc/70/81/88/378708188.db2.gz NQZLRKLRJFPVOP-GDBMZVCRSA-N 2 1 278.827 3.239 20 30 CGEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812571 378708190 /nfs/dbraw/zinc/70/81/90/378708190.db2.gz NQZLRKLRJFPVOP-GDBMZVCRSA-N 2 1 278.827 3.239 20 30 CGEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000349369075 379254224 /nfs/dbraw/zinc/25/42/24/379254224.db2.gz PAKNEUPLIUWXIQ-UHFFFAOYSA-N 2 1 287.451 3.421 20 30 CGEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000349369075 379254229 /nfs/dbraw/zinc/25/42/29/379254229.db2.gz PAKNEUPLIUWXIQ-UHFFFAOYSA-N 2 1 287.451 3.421 20 30 CGEDMP C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000375405566 379496655 /nfs/dbraw/zinc/49/66/55/379496655.db2.gz PUBKJWAYFJNUHH-HZPDHXFCSA-N 2 1 288.439 3.486 20 30 CGEDMP C=CCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375755563 379509074 /nfs/dbraw/zinc/50/90/74/379509074.db2.gz GLFJMAJMIKFBJB-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375755563 379509079 /nfs/dbraw/zinc/50/90/79/379509079.db2.gz GLFJMAJMIKFBJB-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP C=CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375755563 379509086 /nfs/dbraw/zinc/50/90/86/379509086.db2.gz GLFJMAJMIKFBJB-XYPWUTKMSA-N 2 1 250.430 3.290 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446499 380035187 /nfs/dbraw/zinc/03/51/87/380035187.db2.gz RUYCTULZXLOSKC-JKSUJKDBSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446499 380035196 /nfs/dbraw/zinc/03/51/96/380035196.db2.gz RUYCTULZXLOSKC-JKSUJKDBSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446499 380035205 /nfs/dbraw/zinc/03/52/05/380035205.db2.gz RUYCTULZXLOSKC-JKSUJKDBSA-N 2 1 279.472 3.369 20 30 CGEDMP Cc1cc(C#N)ccc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000186241755 392780717 /nfs/dbraw/zinc/78/07/17/392780717.db2.gz DYHKQWKQCGGYMI-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000186241755 392780719 /nfs/dbraw/zinc/78/07/19/392780719.db2.gz DYHKQWKQCGGYMI-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000186241755 392780722 /nfs/dbraw/zinc/78/07/22/392780722.db2.gz DYHKQWKQCGGYMI-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000186241755 392780726 /nfs/dbraw/zinc/78/07/26/392780726.db2.gz DYHKQWKQCGGYMI-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1cc(C#N)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000186241755 392780727 /nfs/dbraw/zinc/78/07/27/392780727.db2.gz DYHKQWKQCGGYMI-GOSISDBHSA-N 2 1 285.435 3.173 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351329050 393182039 /nfs/dbraw/zinc/18/20/39/393182039.db2.gz OBNMRPJKXGYHKS-SJORKVTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000351329050 393182045 /nfs/dbraw/zinc/18/20/45/393182045.db2.gz OBNMRPJKXGYHKS-SJORKVTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351329031 393182689 /nfs/dbraw/zinc/18/26/89/393182689.db2.gz OBNMRPJKXGYHKS-DLBZAZTESA-N 2 1 277.456 3.267 20 30 CGEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000351329031 393182695 /nfs/dbraw/zinc/18/26/95/393182695.db2.gz OBNMRPJKXGYHKS-DLBZAZTESA-N 2 1 277.456 3.267 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694679 543119056 /nfs/dbraw/zinc/11/90/56/543119056.db2.gz DCHVLGXFJFFXTC-HZPDHXFCSA-N 2 1 285.435 3.201 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694679 543119058 /nfs/dbraw/zinc/11/90/58/543119058.db2.gz DCHVLGXFJFFXTC-HZPDHXFCSA-N 2 1 285.435 3.201 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000351435521 298364387 /nfs/dbraw/zinc/36/43/87/298364387.db2.gz YEKVJKWULHGKOP-BRWVUGGUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000351435521 298364391 /nfs/dbraw/zinc/36/43/91/298364391.db2.gz YEKVJKWULHGKOP-BRWVUGGUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000351435521 298364392 /nfs/dbraw/zinc/36/43/92/298364392.db2.gz YEKVJKWULHGKOP-BRWVUGGUSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351435521 298364395 /nfs/dbraw/zinc/36/43/95/298364395.db2.gz YEKVJKWULHGKOP-BRWVUGGUSA-N 2 1 277.456 3.265 20 30 CGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3cccnc32)CC1 ZINC000684954660 544043644 /nfs/dbraw/zinc/04/36/44/544043644.db2.gz CUQSCVLKSCGFBS-QGZVFWFLSA-N 2 1 285.435 3.089 20 30 CGEDMP CC#CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000462318969 261166638 /nfs/dbraw/zinc/16/66/38/261166638.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP CC#CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000462318969 261166642 /nfs/dbraw/zinc/16/66/42/261166642.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP CC#CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000462318969 261166644 /nfs/dbraw/zinc/16/66/44/261166644.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 2 1 296.458 3.388 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414691086 263032713 /nfs/dbraw/zinc/03/27/13/263032713.db2.gz NZSHZMWDQHFQHL-GJZGRUSLSA-N 2 1 276.399 3.202 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CC1 ZINC000120987538 263290032 /nfs/dbraw/zinc/29/00/32/263290032.db2.gz NUOQUFYKDRLJKY-CJNGLKHVSA-N 2 1 261.413 3.162 20 30 CGEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086135 /nfs/dbraw/zinc/08/61/35/277086135.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086136 /nfs/dbraw/zinc/08/61/36/277086136.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086137 /nfs/dbraw/zinc/08/61/37/277086137.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 2 1 289.467 3.268 20 30 CGEDMP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185758935 327844679 /nfs/dbraw/zinc/84/46/79/327844679.db2.gz GEAHGBFCRODLRD-HKUYNNGSSA-N 2 1 297.446 3.323 20 30 CGEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292722 328253313 /nfs/dbraw/zinc/25/33/13/328253313.db2.gz YRUSGWSXUQWZPE-DLBZAZTESA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292722 328253315 /nfs/dbraw/zinc/25/33/15/328253315.db2.gz YRUSGWSXUQWZPE-DLBZAZTESA-N 2 1 290.476 3.331 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000558828644 327123137 /nfs/dbraw/zinc/12/31/37/327123137.db2.gz CGCROQNKZTYIBA-UHFFFAOYSA-N 2 1 284.447 3.090 20 30 CGEDMP C=CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000280210757 327577199 /nfs/dbraw/zinc/57/71/99/327577199.db2.gz WCNSZLPWHZWXSB-UHFFFAOYSA-N 2 1 272.436 3.249 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185895763 329334599 /nfs/dbraw/zinc/33/45/99/329334599.db2.gz WLHWAMKJPGBLSG-LTIDMASMSA-N 2 1 289.467 3.311 20 30 CGEDMP C=CCC[C@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594790 330386539 /nfs/dbraw/zinc/38/65/39/330386539.db2.gz QENQBGQSLPQXIC-KRWDZBQOSA-N 2 1 294.483 3.356 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453195078 331100036 /nfs/dbraw/zinc/10/00/36/331100036.db2.gz OPNYCYJMMJKBHY-QRVBRYPASA-N 2 1 297.446 3.323 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000453353093 331120985 /nfs/dbraw/zinc/12/09/85/331120985.db2.gz HJAMOIRETBVLFM-BZUAXINKSA-N 2 1 264.457 3.441 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000187220310 333168689 /nfs/dbraw/zinc/16/86/89/333168689.db2.gz RDGJZLTZAOVFFH-DOTOQJQBSA-N 2 1 262.441 3.219 20 30 CGEDMP C=C(C)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000522011160 333230185 /nfs/dbraw/zinc/23/01/85/333230185.db2.gz RLLLSZYSAQKXNY-UHFFFAOYSA-N 2 1 283.419 3.431 20 30 CGEDMP C=C(C)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000522011160 333230186 /nfs/dbraw/zinc/23/01/86/333230186.db2.gz RLLLSZYSAQKXNY-UHFFFAOYSA-N 2 1 283.419 3.431 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000539202601 333661012 /nfs/dbraw/zinc/66/10/12/333661012.db2.gz QAMIXKPJBVQZAD-IAGOWNOFSA-N 2 1 262.441 3.195 20 30 CGEDMP C[C@H]1CCC[C@@](C[NH2+]CC(C)(C)CCC#N)([NH+](C)C)C1 ZINC000135160663 334118508 /nfs/dbraw/zinc/11/85/08/334118508.db2.gz AMLMKSFHAWYSTF-DOTOQJQBSA-N 2 1 279.472 3.416 20 30 CGEDMP C=CCCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000550392438 334221641 /nfs/dbraw/zinc/22/16/41/334221641.db2.gz LIBBDCXWHMZVCR-JWTNVVGKSA-N 2 1 294.483 3.306 20 30 CGEDMP C=CCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550392438 334221642 /nfs/dbraw/zinc/22/16/42/334221642.db2.gz LIBBDCXWHMZVCR-JWTNVVGKSA-N 2 1 294.483 3.306 20 30 CGEDMP C=CCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000550392438 334221643 /nfs/dbraw/zinc/22/16/43/334221643.db2.gz LIBBDCXWHMZVCR-JWTNVVGKSA-N 2 1 294.483 3.306 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248815403 334317871 /nfs/dbraw/zinc/31/78/71/334317871.db2.gz KYEUNDGDCLWWIE-FGTMMUONSA-N 2 1 291.483 3.415 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C#N)cs1 ZINC000177685729 335378910 /nfs/dbraw/zinc/37/89/10/335378910.db2.gz KWTWNVMVAKONOX-AWEZNQCLSA-N 2 1 291.464 3.364 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923712 527464548 /nfs/dbraw/zinc/46/45/48/527464548.db2.gz OSAFPNKLKFZYMM-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000924765370 620731235 /nfs/dbraw/zinc/73/12/35/620731235.db2.gz LTODGBKCCLPHIS-RBSFLKMASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000924765370 620731237 /nfs/dbraw/zinc/73/12/37/620731237.db2.gz LTODGBKCCLPHIS-RBSFLKMASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000924561305 618834830 /nfs/dbraw/zinc/83/48/30/618834830.db2.gz VGIOJNHFRRNILS-AWEZNQCLSA-N 2 1 265.445 3.169 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688213 620563334 /nfs/dbraw/zinc/56/33/34/620563334.db2.gz RQYDOSCGXULJON-HOTGVXAUSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742160 621422292 /nfs/dbraw/zinc/42/22/92/621422292.db2.gz KZFIZTWRVZQUJA-CRAIPNDOSA-N 2 1 283.419 3.083 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903453752 621761519 /nfs/dbraw/zinc/76/15/19/621761519.db2.gz KNRYJBXZPDPJCS-IEBWSBKVSA-N 2 1 297.446 3.139 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903481839 621765052 /nfs/dbraw/zinc/76/50/52/621765052.db2.gz OCTXSVCFKYQOLN-LJQANCHMSA-N 2 1 297.446 3.141 20 30 CGEDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903717333 621795396 /nfs/dbraw/zinc/79/53/96/621795396.db2.gz NSBOOLHQCBLZFR-OAHLLOKOSA-N 2 1 265.445 3.156 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903811510 621814277 /nfs/dbraw/zinc/81/42/77/621814277.db2.gz LQPCHIOCURVKBC-QGZVFWFLSA-N 2 1 283.419 3.042 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930061124 624392135 /nfs/dbraw/zinc/39/21/35/624392135.db2.gz QNQZSDLQTSORBL-UHFFFAOYSA-N 2 1 296.418 3.202 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930061124 624392136 /nfs/dbraw/zinc/39/21/36/624392136.db2.gz QNQZSDLQTSORBL-UHFFFAOYSA-N 2 1 296.418 3.202 20 30 CGEDMP c1cnn([NH+]=C2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]23)c1 ZINC000863163760 629486464 /nfs/dbraw/zinc/48/64/64/629486464.db2.gz OOLRGKYMFAJBAL-AEFFLSMTSA-N 2 1 294.402 3.162 20 30 CGEDMP c1cnn([NH+]=C2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]23)c1 ZINC000863163760 629486470 /nfs/dbraw/zinc/48/64/70/629486470.db2.gz OOLRGKYMFAJBAL-AEFFLSMTSA-N 2 1 294.402 3.162 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000815652735 631813925 /nfs/dbraw/zinc/81/39/25/631813925.db2.gz PTMJEKDKOLIXKT-QZTJIDSGSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000815652735 631813928 /nfs/dbraw/zinc/81/39/28/631813928.db2.gz PTMJEKDKOLIXKT-QZTJIDSGSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000815651938 631814042 /nfs/dbraw/zinc/81/40/42/631814042.db2.gz JELNQNPTGIBPRJ-SFHVURJKSA-N 2 1 288.435 3.364 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000815651938 631814047 /nfs/dbraw/zinc/81/40/47/631814047.db2.gz JELNQNPTGIBPRJ-SFHVURJKSA-N 2 1 288.435 3.364 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000817959387 632254594 /nfs/dbraw/zinc/25/45/94/632254594.db2.gz CRDYQNIBBNHMSP-GFCCVEGCSA-N 2 1 282.815 3.206 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000817964693 632260626 /nfs/dbraw/zinc/26/06/26/632260626.db2.gz FFUDZXPEGKKNJU-WBMJQRKESA-N 2 1 294.826 3.206 20 30 CGEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738736 635173748 /nfs/dbraw/zinc/17/37/48/635173748.db2.gz CVEFWGVERXDTDU-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738736 635173750 /nfs/dbraw/zinc/17/37/50/635173750.db2.gz CVEFWGVERXDTDU-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738736 635173752 /nfs/dbraw/zinc/17/37/52/635173752.db2.gz CVEFWGVERXDTDU-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738736 635173754 /nfs/dbraw/zinc/17/37/54/635173754.db2.gz CVEFWGVERXDTDU-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850341149 637020698 /nfs/dbraw/zinc/02/06/98/637020698.db2.gz ASSNOBZILPVFPU-DZGCQCFKSA-N 2 1 293.480 3.429 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926820888 638815266 /nfs/dbraw/zinc/81/52/66/638815266.db2.gz GVDGCFPQWIMWJT-ALOPSCKCSA-N 2 1 294.483 3.210 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779786 638950447 /nfs/dbraw/zinc/95/04/47/638950447.db2.gz OJVWGPQTSGNVEO-KRWDZBQOSA-N 2 1 299.462 3.339 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779786 638950450 /nfs/dbraw/zinc/95/04/50/638950450.db2.gz OJVWGPQTSGNVEO-KRWDZBQOSA-N 2 1 299.462 3.339 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929781550 638950980 /nfs/dbraw/zinc/95/09/80/638950980.db2.gz XFIFWKKVAYUZCK-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929781550 638950981 /nfs/dbraw/zinc/95/09/81/638950981.db2.gz XFIFWKKVAYUZCK-UHFFFAOYSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CCCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313496 639133372 /nfs/dbraw/zinc/13/33/72/639133372.db2.gz CCOFJCNBIONFIB-HOTGVXAUSA-N 2 1 250.430 3.006 20 30 CGEDMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621348 639180654 /nfs/dbraw/zinc/18/06/54/639180654.db2.gz KBFNGWPCUFMFKJ-HZPDHXFCSA-N 2 1 275.440 3.019 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252132624 806017462 /nfs/dbraw/zinc/01/74/62/806017462.db2.gz KGZNWXPYTKMPKU-GOSISDBHSA-N 2 1 296.499 3.268 20 30 CGEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001253240793 806191596 /nfs/dbraw/zinc/19/15/96/806191596.db2.gz AAASJGIDCDIVSY-SFHVURJKSA-N 2 1 294.483 3.044 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531981 806445066 /nfs/dbraw/zinc/44/50/66/806445066.db2.gz OCRFPRCLLKTNIU-MRXNPFEDSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531981 806445070 /nfs/dbraw/zinc/44/50/70/806445070.db2.gz OCRFPRCLLKTNIU-MRXNPFEDSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254531981 806445074 /nfs/dbraw/zinc/44/50/74/806445074.db2.gz OCRFPRCLLKTNIU-MRXNPFEDSA-N 2 1 250.430 3.291 20 30 CGEDMP N#C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254648751 806473239 /nfs/dbraw/zinc/47/32/39/806473239.db2.gz NUHJOZYSYKQSCM-CADBVGFASA-N 2 1 297.446 3.451 20 30 CGEDMP C=C(C)CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001163378987 806754971 /nfs/dbraw/zinc/75/49/71/806754971.db2.gz ZVVSOJGXNQIIQQ-HNNXBMFYSA-N 2 1 284.407 3.339 20 30 CGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172489803 808350293 /nfs/dbraw/zinc/35/02/93/808350293.db2.gz QLLYKXWQGXBXME-HNNXBMFYSA-N 2 1 286.423 3.031 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@H](CC)C[NH3+] ZINC001246000871 804098366 /nfs/dbraw/zinc/09/83/66/804098366.db2.gz MLEMUBBVCOGKRC-CVEARBPZSA-N 2 1 272.477 3.205 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246018426 804100347 /nfs/dbraw/zinc/10/03/47/804100347.db2.gz DIZHZOWBVDGWGT-KURKYZTESA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001246022139 804101074 /nfs/dbraw/zinc/10/10/74/804101074.db2.gz MKOLFZTUKZKQMC-ULQDDVLXSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246058852 804104468 /nfs/dbraw/zinc/10/44/68/804104468.db2.gz GVZZQRWVBVFBBV-BZSNNMDCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246307775 804270793 /nfs/dbraw/zinc/27/07/93/804270793.db2.gz NFPGKTMRCOVFDW-YESZJQIVSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246467698 804346499 /nfs/dbraw/zinc/34/64/99/804346499.db2.gz VDCXAZNJICXTCM-XHSDSOJGSA-N 2 1 270.461 3.092 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246562635 804411955 /nfs/dbraw/zinc/41/19/55/804411955.db2.gz YZDZIJOKYQDDCT-PEUVFPKISA-N 2 1 284.394 3.037 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246610501 804445724 /nfs/dbraw/zinc/44/57/24/804445724.db2.gz AVFMULHQIWCWEG-KRWDZBQOSA-N 2 1 296.499 3.437 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631255 804462868 /nfs/dbraw/zinc/46/28/68/804462868.db2.gz CARIVEUYOLGCFG-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246631255 804462872 /nfs/dbraw/zinc/46/28/72/804462872.db2.gz CARIVEUYOLGCFG-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246647705 804475790 /nfs/dbraw/zinc/47/57/90/804475790.db2.gz VERLSZZJTUNFAX-QZTJIDSGSA-N 2 1 296.499 3.437 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664902 804486448 /nfs/dbraw/zinc/48/64/48/804486448.db2.gz FLDNRGXBRVPKIG-BZUAXINKSA-N 2 1 252.446 3.277 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246816660 804532323 /nfs/dbraw/zinc/53/23/23/804532323.db2.gz KVWIYUFNJRMFIA-YSIASYRMSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246816660 804532326 /nfs/dbraw/zinc/53/23/26/804532326.db2.gz KVWIYUFNJRMFIA-YSIASYRMSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246816083 804532658 /nfs/dbraw/zinc/53/26/58/804532658.db2.gz GYAAGSORJOYSAE-AJYBTWMASA-N 2 1 294.442 3.282 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246816083 804532661 /nfs/dbraw/zinc/53/26/61/804532661.db2.gz GYAAGSORJOYSAE-AJYBTWMASA-N 2 1 294.442 3.282 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838166 804545930 /nfs/dbraw/zinc/54/59/30/804545930.db2.gz UEFMJCQJMJUUGO-QLFBSQMISA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246838166 804545936 /nfs/dbraw/zinc/54/59/36/804545936.db2.gz UEFMJCQJMJUUGO-QLFBSQMISA-N 2 1 258.425 3.497 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838052 804546841 /nfs/dbraw/zinc/54/68/41/804546841.db2.gz AKGZDHXUBZUWIC-INIZCTEOSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246838052 804546844 /nfs/dbraw/zinc/54/68/44/804546844.db2.gz AKGZDHXUBZUWIC-INIZCTEOSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839929 804547935 /nfs/dbraw/zinc/54/79/35/804547935.db2.gz LOWBQPSIAVSKJH-ROUUACIJSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246839929 804547943 /nfs/dbraw/zinc/54/79/43/804547943.db2.gz LOWBQPSIAVSKJH-ROUUACIJSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839928 804548635 /nfs/dbraw/zinc/54/86/35/804548635.db2.gz LOWBQPSIAVSKJH-QZTJIDSGSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246839928 804548636 /nfs/dbraw/zinc/54/86/36/804548636.db2.gz LOWBQPSIAVSKJH-QZTJIDSGSA-N 2 1 272.436 3.451 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246866678 804569938 /nfs/dbraw/zinc/56/99/38/804569938.db2.gz DYUJPFMGQQUMEU-ZWKOTPCHSA-N 2 1 295.515 3.233 20 30 CGEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)C(C)(C)C ZINC001246921884 804602420 /nfs/dbraw/zinc/60/24/20/804602420.db2.gz TUDKCAXWCWIWKC-UONOGXRCSA-N 2 1 252.446 3.440 20 30 CGEDMP C=CC[N@@H+]([C@H]1CCC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001246922031 804602630 /nfs/dbraw/zinc/60/26/30/804602630.db2.gz UOOLKXBXGGWIIM-AWEZNQCLSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC[N@@H+](CCC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167826847 807255971 /nfs/dbraw/zinc/25/59/71/807255971.db2.gz RNZVRKPAHFUZKM-OAHLLOKOSA-N 2 1 253.434 3.123 20 30 CGEDMP CCCCCCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258041125 807270919 /nfs/dbraw/zinc/27/09/19/807270919.db2.gz MZYCAKVLAOCIGT-MRXNPFEDSA-N 2 1 284.488 3.436 20 30 CGEDMP SCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979302 807291526 /nfs/dbraw/zinc/29/15/26/807291526.db2.gz ZWOPDGUMAPHBKZ-ALOPSCKCSA-N 2 1 296.524 3.472 20 30 CGEDMP Cc1ccc[nH+]c1N([C@@H](C)CCCC#N)C1CC[NH2+]CC1 ZINC001172506640 808362289 /nfs/dbraw/zinc/36/22/89/808362289.db2.gz YCUWLGNQMNOJQY-HNNXBMFYSA-N 2 1 286.423 3.031 20 30 CGEDMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001173114459 808513796 /nfs/dbraw/zinc/51/37/96/808513796.db2.gz LDUMHZDBSYXPAX-KLAILNCOSA-N 2 1 277.456 3.265 20 30 CGEDMP N#CCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001173334726 808616997 /nfs/dbraw/zinc/61/69/97/808616997.db2.gz WHXFWSISFHXVTN-OFLPRAFFSA-N 2 1 289.467 3.455 20 30 CGEDMP N#CCC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001173334726 808617004 /nfs/dbraw/zinc/61/70/04/808617004.db2.gz WHXFWSISFHXVTN-OFLPRAFFSA-N 2 1 289.467 3.455 20 30 CGEDMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996178 /nfs/dbraw/zinc/99/61/78/808996178.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996180 /nfs/dbraw/zinc/99/61/80/808996180.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996182 /nfs/dbraw/zinc/99/61/82/808996182.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996185 /nfs/dbraw/zinc/99/61/85/808996185.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 2 1 297.446 3.060 20 30 CGEDMP C=CCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972438 809587777 /nfs/dbraw/zinc/58/77/77/809587777.db2.gz BJQWUIBWQMJKGX-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972438 809587782 /nfs/dbraw/zinc/58/77/82/809587782.db2.gz BJQWUIBWQMJKGX-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972438 809587786 /nfs/dbraw/zinc/58/77/86/809587786.db2.gz BJQWUIBWQMJKGX-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972438 809587789 /nfs/dbraw/zinc/58/77/89/809587789.db2.gz BJQWUIBWQMJKGX-ZWKOTPCHSA-N 2 1 270.420 3.016 20 30 CGEDMP CCCCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201852913 811972391 /nfs/dbraw/zinc/97/23/91/811972391.db2.gz RRGUAFRYBLNMGN-UHFFFAOYSA-N 2 1 263.429 3.492 20 30 CGEDMP CCCCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201852913 811972397 /nfs/dbraw/zinc/97/23/97/811972397.db2.gz RRGUAFRYBLNMGN-UHFFFAOYSA-N 2 1 263.429 3.492 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205638561 813036886 /nfs/dbraw/zinc/03/68/86/813036886.db2.gz PIAKLGOVETZDOR-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205652952 813041743 /nfs/dbraw/zinc/04/17/43/813041743.db2.gz RMHNTGSUWKQNKK-IUODEOHRSA-N 2 1 291.826 3.018 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664521 813046529 /nfs/dbraw/zinc/04/65/29/813046529.db2.gz NTLATHRAQRTIIN-KRWDZBQOSA-N 2 1 284.488 3.303 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)CC1 ZINC001205904925 813127868 /nfs/dbraw/zinc/12/78/68/813127868.db2.gz YPVACVSCGNKNIG-DJIMGWMZSA-N 2 1 262.441 3.348 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012045 813164931 /nfs/dbraw/zinc/16/49/31/813164931.db2.gz IDVYPEABWVYPNV-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206025432 813170525 /nfs/dbraw/zinc/17/05/25/813170525.db2.gz OAFRMBDFKYXELS-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156252 813216906 /nfs/dbraw/zinc/21/69/06/813216906.db2.gz PJUSLFTVJOETJR-LSDHHAIUSA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156252 813216911 /nfs/dbraw/zinc/21/69/11/813216911.db2.gz PJUSLFTVJOETJR-LSDHHAIUSA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209158582 813952077 /nfs/dbraw/zinc/95/20/77/813952077.db2.gz QRYRZDHSBFSDNN-GASCZTMLSA-N 2 1 276.449 3.078 20 30 CGEDMP C=CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209158582 813952080 /nfs/dbraw/zinc/95/20/80/813952080.db2.gz QRYRZDHSBFSDNN-GASCZTMLSA-N 2 1 276.449 3.078 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209158582 813952084 /nfs/dbraw/zinc/95/20/84/813952084.db2.gz QRYRZDHSBFSDNN-GASCZTMLSA-N 2 1 276.449 3.078 20 30 CGEDMP C=CCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209158582 813952088 /nfs/dbraw/zinc/95/20/88/813952088.db2.gz QRYRZDHSBFSDNN-GASCZTMLSA-N 2 1 276.449 3.078 20 30 CGEDMP C=CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209205020 813966850 /nfs/dbraw/zinc/96/68/50/813966850.db2.gz OTVPQZDKWUCBOS-KDURUIRLSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209205020 813966855 /nfs/dbraw/zinc/96/68/55/813966855.db2.gz OTVPQZDKWUCBOS-KDURUIRLSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209205020 813966860 /nfs/dbraw/zinc/96/68/60/813966860.db2.gz OTVPQZDKWUCBOS-KDURUIRLSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209438930 814038614 /nfs/dbraw/zinc/03/86/14/814038614.db2.gz YHWJSZSCWYGOPY-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209438930 814038618 /nfs/dbraw/zinc/03/86/18/814038618.db2.gz YHWJSZSCWYGOPY-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161112 816366040 /nfs/dbraw/zinc/36/60/40/816366040.db2.gz LKBJDWHNPAYBSU-LJQANCHMSA-N 2 1 297.446 3.304 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235255179 819050700 /nfs/dbraw/zinc/05/07/00/819050700.db2.gz CZDGMESBVJWNPA-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235371302 819080497 /nfs/dbraw/zinc/08/04/97/819080497.db2.gz YTWBDJMMOXUUBX-RCCFBDPRSA-N 2 1 294.483 3.190 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422234 819092254 /nfs/dbraw/zinc/09/22/54/819092254.db2.gz AGYGRGGHOQZKOD-JKSUJKDBSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001235701291 819144959 /nfs/dbraw/zinc/14/49/59/819144959.db2.gz AFRFKBVSZMMBEA-QGZVFWFLSA-N 2 1 272.436 3.454 20 30 CGEDMP C=CCCCC[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976025 819256308 /nfs/dbraw/zinc/25/63/08/819256308.db2.gz ZDSVMBPMVOUVRU-UHFFFAOYSA-N 2 1 284.447 3.480 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981087 819257630 /nfs/dbraw/zinc/25/76/30/819257630.db2.gz UKIBBLQVMZNSAA-HOTGVXAUSA-N 2 1 250.430 3.326 20 30 CGEDMP C[N@@H+](CCCC[NH3+])Cc1ccc(C#Cc2ccccc2)s1 ZINC001236141084 819341196 /nfs/dbraw/zinc/34/11/96/819341196.db2.gz FXRGWHCXFSAPQC-UHFFFAOYSA-N 2 1 298.455 3.319 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000328003855 926896947 /nfs/dbraw/zinc/89/69/47/926896947.db2.gz OLRKMSXFGXESSZ-UHFFFAOYSA-N 2 1 298.455 3.460 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000328003855 926896959 /nfs/dbraw/zinc/89/69/59/926896959.db2.gz OLRKMSXFGXESSZ-UHFFFAOYSA-N 2 1 298.455 3.460 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001461491760 937583235 /nfs/dbraw/zinc/58/32/35/937583235.db2.gz BAYWIWLISIBBIK-XHSDSOJGSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001461491760 937583237 /nfs/dbraw/zinc/58/32/37/937583237.db2.gz BAYWIWLISIBBIK-XHSDSOJGSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)CCCC)C1 ZINC001308796358 933178996 /nfs/dbraw/zinc/17/89/96/933178996.db2.gz PNCDBAAVPGUPBI-OAGGEKHMSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)CCCC)C1 ZINC001308796358 933179001 /nfs/dbraw/zinc/17/90/01/933179001.db2.gz PNCDBAAVPGUPBI-OAGGEKHMSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001561052830 938292382 /nfs/dbraw/zinc/29/23/82/938292382.db2.gz MEJFWDXIOJTADE-MWDXBVQZSA-N 2 1 264.457 3.441 20 30 CGEDMP CC[N@@H+](C[C@H](C[NH3+])C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC001577672272 960478167 /nfs/dbraw/zinc/47/81/67/960478167.db2.gz WPRBTPOLINNLKN-YOEHRIQHSA-N 2 1 273.424 3.172 20 30 CGEDMP C[N@@H+](CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000590780339 346875698 /nfs/dbraw/zinc/87/56/98/346875698.db2.gz OLMQGBJJIYQKCS-LJQANCHMSA-N 2 1 297.446 3.400 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C#N)c1 ZINC000591571040 346929200 /nfs/dbraw/zinc/92/92/00/346929200.db2.gz XKSBBGPHXZPSKK-IGNZVWTISA-N 2 1 277.371 3.354 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1F ZINC000591582955 346930107 /nfs/dbraw/zinc/93/01/07/346930107.db2.gz VLMOVOICEBWGPC-GXTWGEPZSA-N 2 1 287.382 3.023 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577756 346930340 /nfs/dbraw/zinc/93/03/40/346930340.db2.gz LQFJJYSXPAYECX-WBVHZDCISA-N 2 1 271.408 3.043 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000390808338 346574224 /nfs/dbraw/zinc/57/42/24/346574224.db2.gz OGNGSEFGTBHYJC-GBESFXJTSA-N 2 1 284.447 3.453 20 30 CGEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594506844 347181477 /nfs/dbraw/zinc/18/14/77/347181477.db2.gz FKRWDWXAJXWZOG-QGZVFWFLSA-N 2 1 299.462 3.309 20 30 CGEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058900 347378164 /nfs/dbraw/zinc/37/81/64/347378164.db2.gz LFIBSNDNNQDEDF-SFHVURJKSA-N 2 1 297.446 3.078 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095905 347382404 /nfs/dbraw/zinc/38/24/04/347382404.db2.gz RBLSBUDVSVCQQM-CRAIPNDOSA-N 2 1 297.446 3.331 20 30 CGEDMP N#CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000596654275 347499119 /nfs/dbraw/zinc/49/91/19/347499119.db2.gz ZVZFGPQMWWYWTP-GVDBMIGSSA-N 2 1 289.467 3.361 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000599299550 347733657 /nfs/dbraw/zinc/73/36/57/347733657.db2.gz HCKXFKYOPLWODG-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000599299550 347733660 /nfs/dbraw/zinc/73/36/60/347733660.db2.gz HCKXFKYOPLWODG-GOSISDBHSA-N 2 1 297.446 3.175 20 30 CGEDMP N#CC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602505212 347972270 /nfs/dbraw/zinc/97/22/70/347972270.db2.gz VGTRHMCNEXOURC-UHFFFAOYSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000602515058 347974423 /nfs/dbraw/zinc/97/44/23/347974423.db2.gz SRPKUIOCDBYCAK-HZPDHXFCSA-N 2 1 265.445 3.028 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(C)(C)C#N ZINC000603112819 348060135 /nfs/dbraw/zinc/06/01/35/348060135.db2.gz YBJGFEGOOFLLJI-UHFFFAOYSA-N 2 1 265.445 3.124 20 30 CGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000179668086 189211977 /nfs/dbraw/zinc/21/19/77/189211977.db2.gz GMFKPNCOHFIDKV-ZIAGYGMSSA-N 2 1 282.391 3.050 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287741937 371700317 /nfs/dbraw/zinc/70/03/17/371700317.db2.gz YVGJCWHCEIINIQ-RVKKMQEKSA-N 2 1 288.435 3.070 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC#N)CC1 ZINC000159067338 372103743 /nfs/dbraw/zinc/10/37/43/372103743.db2.gz FVVHLMPZFDPXTC-INIZCTEOSA-N 2 1 277.456 3.267 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449072558 373658421 /nfs/dbraw/zinc/65/84/21/373658421.db2.gz QITLQDBYIIYYAL-CQSZACIVSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449084376 373660956 /nfs/dbraw/zinc/66/09/56/373660956.db2.gz XLIYFLQDTMYJRH-XHSDSOJGSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449084376 373660965 /nfs/dbraw/zinc/66/09/65/373660965.db2.gz XLIYFLQDTMYJRH-XHSDSOJGSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000538147711 376223374 /nfs/dbraw/zinc/22/33/74/376223374.db2.gz LCENPBOACRUSPU-CVEARBPZSA-N 2 1 252.446 3.395 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000246374583 377017470 /nfs/dbraw/zinc/01/74/70/377017470.db2.gz JQMIHSWCZRFBMK-HYVNUMGLSA-N 2 1 271.408 3.104 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000246374583 377017481 /nfs/dbraw/zinc/01/74/81/377017481.db2.gz JQMIHSWCZRFBMK-HYVNUMGLSA-N 2 1 271.408 3.104 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000248151068 377271515 /nfs/dbraw/zinc/27/15/15/377271515.db2.gz QTSXYPRWUFRFSS-RDJZCZTQSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248151068 377271519 /nfs/dbraw/zinc/27/15/19/377271519.db2.gz QTSXYPRWUFRFSS-RDJZCZTQSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CC[C@@H]1[N@H+](CC2CC[NH2+]CC2)CCCC1(C)C ZINC000261605886 377825789 /nfs/dbraw/zinc/82/57/89/377825789.db2.gz ACRJQKWFNXBDKJ-HNNXBMFYSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272878649 378716896 /nfs/dbraw/zinc/71/68/96/378716896.db2.gz XIPHUXRREXOHDZ-XYJFISCASA-N 2 1 272.436 3.451 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348223538 378847199 /nfs/dbraw/zinc/84/71/99/378847199.db2.gz TXMQGWXTLQRRHY-NVXWUHKLSA-N 2 1 285.435 3.036 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223538 378847203 /nfs/dbraw/zinc/84/72/03/378847203.db2.gz TXMQGWXTLQRRHY-NVXWUHKLSA-N 2 1 285.435 3.036 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348276563 378880922 /nfs/dbraw/zinc/88/09/22/378880922.db2.gz OTFSAGNPBAERDH-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348276563 378880928 /nfs/dbraw/zinc/88/09/28/378880928.db2.gz OTFSAGNPBAERDH-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348276563 378880936 /nfs/dbraw/zinc/88/09/36/378880936.db2.gz OTFSAGNPBAERDH-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348276563 378880941 /nfs/dbraw/zinc/88/09/41/378880941.db2.gz OTFSAGNPBAERDH-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348276563 378880947 /nfs/dbraw/zinc/88/09/47/378880947.db2.gz OTFSAGNPBAERDH-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282424695 392290853 /nfs/dbraw/zinc/29/08/53/392290853.db2.gz HACXPUMQGWGMRM-SFHVURJKSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282424695 392290857 /nfs/dbraw/zinc/29/08/57/392290857.db2.gz HACXPUMQGWGMRM-SFHVURJKSA-N 2 1 284.447 3.290 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000338942728 392935525 /nfs/dbraw/zinc/93/55/25/392935525.db2.gz OAWBMOAEZLAIRN-SQNIBIBYSA-N 2 1 289.467 3.123 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342863358 393011165 /nfs/dbraw/zinc/01/11/65/393011165.db2.gz IFKNAIWIHXRIJI-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000342863358 393011169 /nfs/dbraw/zinc/01/11/69/393011169.db2.gz IFKNAIWIHXRIJI-UHFFFAOYSA-N 2 1 299.418 3.278 20 30 CGEDMP C[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423372 393189883 /nfs/dbraw/zinc/18/98/83/393189883.db2.gz VNSSPCQIQPGSGQ-HZPDHXFCSA-N 2 1 276.468 3.231 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000274155870 393280811 /nfs/dbraw/zinc/28/08/11/393280811.db2.gz FTWXVCKFPZRAHL-UHFFFAOYSA-N 2 1 283.419 3.010 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191480 393377159 /nfs/dbraw/zinc/37/71/59/393377159.db2.gz QMDZGYYTUHKVOJ-RDJZCZTQSA-N 2 1 270.420 3.348 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647191480 393377164 /nfs/dbraw/zinc/37/71/64/393377164.db2.gz QMDZGYYTUHKVOJ-RDJZCZTQSA-N 2 1 270.420 3.348 20 30 CGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000078453718 165132855 /nfs/dbraw/zinc/13/28/55/165132855.db2.gz LZNZMVIWNCRFLO-HZPDHXFCSA-N 2 1 285.435 3.016 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401217 543708459 /nfs/dbraw/zinc/70/84/59/543708459.db2.gz JNMMSHYIRPCZDF-XHSDSOJGSA-N 2 1 262.441 3.031 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000685579271 544086333 /nfs/dbraw/zinc/08/63/33/544086333.db2.gz VIMBAFYRYKKTBM-HNNXBMFYSA-N 2 1 272.392 3.035 20 30 CGEDMP C=CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662694 419179955 /nfs/dbraw/zinc/17/99/55/419179955.db2.gz LLRQXAUCKSDFFM-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662694 419179957 /nfs/dbraw/zinc/17/99/57/419179957.db2.gz LLRQXAUCKSDFFM-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662694 419179959 /nfs/dbraw/zinc/17/99/59/419179959.db2.gz LLRQXAUCKSDFFM-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466062 419616104 /nfs/dbraw/zinc/61/61/04/419616104.db2.gz NRBPFYFNQKIVAV-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP N#C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000185770027 262069701 /nfs/dbraw/zinc/06/97/01/262069701.db2.gz GYGZMEDSXARUOW-LPHOPBHVSA-N 2 1 297.446 3.107 20 30 CGEDMP N#C[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000185770027 262069702 /nfs/dbraw/zinc/06/97/02/262069702.db2.gz GYGZMEDSXARUOW-LPHOPBHVSA-N 2 1 297.446 3.107 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375514 263121204 /nfs/dbraw/zinc/12/12/04/263121204.db2.gz JNCSEUKNNPCGRZ-DLBZAZTESA-N 2 1 283.419 3.105 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375514 263121205 /nfs/dbraw/zinc/12/12/05/263121205.db2.gz JNCSEUKNNPCGRZ-DLBZAZTESA-N 2 1 283.419 3.105 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130640185 264359304 /nfs/dbraw/zinc/35/93/04/264359304.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130640185 264359306 /nfs/dbraw/zinc/35/93/06/264359306.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000130640185 264359308 /nfs/dbraw/zinc/35/93/08/264359308.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000130640185 264359311 /nfs/dbraw/zinc/35/93/11/264359311.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 2 1 288.435 3.166 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423303434 276243005 /nfs/dbraw/zinc/24/30/05/276243005.db2.gz XBWRFNJHFBLWSF-AEFFLSMTSA-N 2 1 285.435 3.433 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540002 288089831 /nfs/dbraw/zinc/08/98/31/288089831.db2.gz BPGAXYOSUJHJIM-JQFCIGGWSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540002 288089834 /nfs/dbraw/zinc/08/98/34/288089834.db2.gz BPGAXYOSUJHJIM-JQFCIGGWSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499226 280193189 /nfs/dbraw/zinc/19/31/89/280193189.db2.gz IZKBHECXLHQHOC-SJORKVTESA-N 2 1 271.408 3.116 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423100135 330170366 /nfs/dbraw/zinc/17/03/66/330170366.db2.gz GHOOWOLAHGBJGE-OALUTQOASA-N 2 1 294.398 3.486 20 30 CGEDMP C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423136656 330172137 /nfs/dbraw/zinc/17/21/37/330172137.db2.gz VNNVFXAIXVJDMA-BHYGNILZSA-N 2 1 271.408 3.152 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527656243 330272988 /nfs/dbraw/zinc/27/29/88/330272988.db2.gz FOCYOXHMSLPXPB-JQFCIGGWSA-N 2 1 262.441 3.051 20 30 CGEDMP CC#CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462316350 331319429 /nfs/dbraw/zinc/31/94/29/331319429.db2.gz AKFHVTLSEVCNPK-KRWDZBQOSA-N 2 1 276.468 3.376 20 30 CGEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309973335 333051894 /nfs/dbraw/zinc/05/18/94/333051894.db2.gz PDQSNPZFMTVGDU-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309973335 333051895 /nfs/dbraw/zinc/05/18/95/333051895.db2.gz PDQSNPZFMTVGDU-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309973335 333051896 /nfs/dbraw/zinc/05/18/96/333051896.db2.gz PDQSNPZFMTVGDU-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000521218716 333115349 /nfs/dbraw/zinc/11/53/49/333115349.db2.gz USIHWTJEGCHWIV-KRWDZBQOSA-N 2 1 288.435 3.071 20 30 CGEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000135188814 334119365 /nfs/dbraw/zinc/11/93/65/334119365.db2.gz PMCYJXBLNFNWQM-HNNXBMFYSA-N 2 1 258.409 3.205 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000180686096 335617518 /nfs/dbraw/zinc/61/75/18/335617518.db2.gz GFENSNSWMCVSFN-SFHVURJKSA-N 2 1 285.435 3.494 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000106245108 526604526 /nfs/dbraw/zinc/60/45/26/526604526.db2.gz XRNOAQLSYWPODD-UHFFFAOYSA-N 2 1 276.399 3.264 20 30 CGEDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902754491 621425619 /nfs/dbraw/zinc/42/56/19/621425619.db2.gz DQTHTEAYCZNCBV-QGZVFWFLSA-N 2 1 282.391 3.194 20 30 CGEDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082360 621563530 /nfs/dbraw/zinc/56/35/30/621563530.db2.gz ZMJOUMAHLOOONO-HMZLUNFSSA-N 2 1 295.430 3.367 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069453 621568317 /nfs/dbraw/zinc/56/83/17/621568317.db2.gz HDLUJGQSJYCCSS-SJLPKXTDSA-N 2 1 285.435 3.331 20 30 CGEDMP C#CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903132558 621592233 /nfs/dbraw/zinc/59/22/33/621592233.db2.gz ZZMVHFJSASWHKV-ZNBHLAFESA-N 2 1 294.442 3.498 20 30 CGEDMP C#CC(C)(C)[NH+](C)CCC(C)CC[N@@H+](C)C(C)(C)C#C ZINC000839581812 626763351 /nfs/dbraw/zinc/76/33/51/626763351.db2.gz XBJWTXVEQPVOJX-UHFFFAOYSA-N 2 1 276.468 3.090 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799736016 630228457 /nfs/dbraw/zinc/22/84/57/630228457.db2.gz GDKTWZUPCYPIKZ-KRWDZBQOSA-N 2 1 297.531 3.351 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000815652489 631813745 /nfs/dbraw/zinc/81/37/45/631813745.db2.gz FKIQZZLBWCDPCV-OALUTQOASA-N 2 1 284.447 3.176 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000815652489 631813749 /nfs/dbraw/zinc/81/37/49/631813749.db2.gz FKIQZZLBWCDPCV-OALUTQOASA-N 2 1 284.447 3.176 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000872099239 634020146 /nfs/dbraw/zinc/02/01/46/634020146.db2.gz AZUJLZWUAARFEC-UHFFFAOYSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667331 638385437 /nfs/dbraw/zinc/38/54/37/638385437.db2.gz KZXPFYPFRWENOQ-KFWWJZLASA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667331 638385442 /nfs/dbraw/zinc/38/54/42/638385442.db2.gz KZXPFYPFRWENOQ-KFWWJZLASA-N 2 1 265.445 3.025 20 30 CGEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926442261 638770580 /nfs/dbraw/zinc/77/05/80/638770580.db2.gz FQUJWCUQCWVQBH-ZIAGYGMSSA-N 2 1 253.434 3.025 20 30 CGEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926442261 638770582 /nfs/dbraw/zinc/77/05/82/638770582.db2.gz FQUJWCUQCWVQBH-ZIAGYGMSSA-N 2 1 253.434 3.025 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000929699321 638942318 /nfs/dbraw/zinc/94/23/18/638942318.db2.gz LCVYFHMCMSTXKM-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000929699321 638942319 /nfs/dbraw/zinc/94/23/19/638942319.db2.gz LCVYFHMCMSTXKM-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCCCC1(C#N)CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929699321 638942320 /nfs/dbraw/zinc/94/23/20/638942320.db2.gz LCVYFHMCMSTXKM-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252130697 806017141 /nfs/dbraw/zinc/01/71/41/806017141.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252130697 806017151 /nfs/dbraw/zinc/01/71/51/806017151.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252130697 806017159 /nfs/dbraw/zinc/01/71/59/806017159.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 2 1 296.499 3.126 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254507256 806428895 /nfs/dbraw/zinc/42/88/95/806428895.db2.gz AFBLEWHWINYXHG-CVEARBPZSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254507256 806428901 /nfs/dbraw/zinc/42/89/01/806428901.db2.gz AFBLEWHWINYXHG-CVEARBPZSA-N 2 1 288.435 3.386 20 30 CGEDMP C=CC[NH+](C1CCCCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531980 806444138 /nfs/dbraw/zinc/44/41/38/806444138.db2.gz OCRFPRCLLKTNIU-INIZCTEOSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254531980 806444142 /nfs/dbraw/zinc/44/41/42/806444142.db2.gz OCRFPRCLLKTNIU-INIZCTEOSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254531980 806444143 /nfs/dbraw/zinc/44/41/43/806444143.db2.gz OCRFPRCLLKTNIU-INIZCTEOSA-N 2 1 250.430 3.291 20 30 CGEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001254532163 806445196 /nfs/dbraw/zinc/44/51/96/806445196.db2.gz QRCKJAJTSYUPDM-FQEVSTJZSA-N 2 1 296.458 3.234 20 30 CGEDMP C#CC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383097 806630532 /nfs/dbraw/zinc/63/05/32/806630532.db2.gz ZSFZOGXGJJOXNM-QGZVFWFLSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408078 806634429 /nfs/dbraw/zinc/63/44/29/806634429.db2.gz HSNKCQXHVAEDPJ-HXUWFJFHSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000392765687 799483614 /nfs/dbraw/zinc/48/36/14/799483614.db2.gz OFRSGBPBFYLIRI-INIZCTEOSA-N 2 1 288.435 3.080 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000392765687 799483617 /nfs/dbraw/zinc/48/36/17/799483617.db2.gz OFRSGBPBFYLIRI-INIZCTEOSA-N 2 1 288.435 3.080 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000703657477 799927147 /nfs/dbraw/zinc/92/71/47/799927147.db2.gz YHBJJISDKWPERV-CYBMUJFWSA-N 2 1 276.449 3.182 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1ccc(C#N)cc1 ZINC001256026371 806806283 /nfs/dbraw/zinc/80/62/83/806806283.db2.gz SKGKJAVWLNNRFA-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001138549231 803964365 /nfs/dbraw/zinc/96/43/65/803964365.db2.gz SCWGEDIUFZRRFI-UHFFFAOYSA-N 2 1 287.432 3.075 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001246024484 804101082 /nfs/dbraw/zinc/10/10/82/804101082.db2.gz VVFHGHRDCPHEFK-IKGGRYGDSA-N 2 1 284.488 3.015 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246019433 804101112 /nfs/dbraw/zinc/10/11/12/804101112.db2.gz HIAFDHKJWFFKSY-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246019433 804101116 /nfs/dbraw/zinc/10/11/16/804101116.db2.gz HIAFDHKJWFFKSY-ZACQAIPSSA-N 2 1 284.488 3.157 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246027832 804101137 /nfs/dbraw/zinc/10/11/37/804101137.db2.gz YTJUUYQXPPJDTN-KURKYZTESA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246058191 804103839 /nfs/dbraw/zinc/10/38/39/804103839.db2.gz IPSAAXRWYWAXIS-HOTGVXAUSA-N 2 1 272.477 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246058191 804103847 /nfs/dbraw/zinc/10/38/47/804103847.db2.gz IPSAAXRWYWAXIS-HOTGVXAUSA-N 2 1 272.477 3.157 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])COC ZINC001246238162 804229846 /nfs/dbraw/zinc/22/98/46/804229846.db2.gz FLDVZVFWCQLCPR-LSDHHAIUSA-N 2 1 258.450 3.079 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246335196 804289387 /nfs/dbraw/zinc/28/93/87/804289387.db2.gz HBYRPOTWTTYXEV-HOCLYGCPSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246566686 804415441 /nfs/dbraw/zinc/41/54/41/804415441.db2.gz UEFMJCQJMJUUGO-RBSFLKMASA-N 2 1 258.425 3.497 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246566686 804415444 /nfs/dbraw/zinc/41/54/44/804415444.db2.gz UEFMJCQJMJUUGO-RBSFLKMASA-N 2 1 258.425 3.497 20 30 CGEDMP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588813 804431346 /nfs/dbraw/zinc/43/13/46/804431346.db2.gz AUCNRBSRZUXTLN-OALUTQOASA-N 2 1 297.446 3.227 20 30 CGEDMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246588813 804431352 /nfs/dbraw/zinc/43/13/52/804431352.db2.gz AUCNRBSRZUXTLN-OALUTQOASA-N 2 1 297.446 3.227 20 30 CGEDMP CC[C@@H]1C[C@H]([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594492 804434893 /nfs/dbraw/zinc/43/48/93/804434893.db2.gz WCLLSYOZXCMEFJ-BWTSREIZSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1C[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594492 804434898 /nfs/dbraw/zinc/43/48/98/804434898.db2.gz WCLLSYOZXCMEFJ-BWTSREIZSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCCCC[C@H](C)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642432 804468738 /nfs/dbraw/zinc/46/87/38/804468738.db2.gz LKWOZXHKPWZJEM-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650457 804479126 /nfs/dbraw/zinc/47/91/26/804479126.db2.gz IIZDNUVXQKPOMF-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246650457 804479128 /nfs/dbraw/zinc/47/91/28/804479128.db2.gz IIZDNUVXQKPOMF-QFBILLFUSA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246771531 804504537 /nfs/dbraw/zinc/50/45/37/804504537.db2.gz YZFOBEBKKFLEAM-MUJYYYPQSA-N 2 1 252.446 3.277 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246818269 804534160 /nfs/dbraw/zinc/53/41/60/804534160.db2.gz ZDCQJBLQQVIDID-ZIFCJYIRSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246818269 804534165 /nfs/dbraw/zinc/53/41/65/804534165.db2.gz ZDCQJBLQQVIDID-ZIFCJYIRSA-N 2 1 282.431 3.140 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246938554 804610873 /nfs/dbraw/zinc/61/08/73/804610873.db2.gz NNNREPOHGGHNPQ-YESZJQIVSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246938554 804610875 /nfs/dbraw/zinc/61/08/75/804610875.db2.gz NNNREPOHGGHNPQ-YESZJQIVSA-N 2 1 284.488 3.300 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001257011655 807026898 /nfs/dbraw/zinc/02/68/98/807026898.db2.gz WTQDZPXEMLSDJM-ADKAHSJRSA-N 2 1 283.419 3.008 20 30 CGEDMP CCCCCCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258041124 807271534 /nfs/dbraw/zinc/27/15/34/807271534.db2.gz MZYCAKVLAOCIGT-INIZCTEOSA-N 2 1 284.488 3.436 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+]CCC[N@@H+](C)CCO ZINC001258228450 807376162 /nfs/dbraw/zinc/37/61/62/807376162.db2.gz HLDAWPPGMHIZTC-QGZVFWFLSA-N 2 1 286.504 3.419 20 30 CGEDMP C=CCC[C@@H](C)N(c1cccc(C)[nH+]1)C1CC[NH2+]CC1 ZINC001258732662 807579057 /nfs/dbraw/zinc/57/90/57/807579057.db2.gz AXZLRXFYZMCVCM-OAHLLOKOSA-N 2 1 273.424 3.303 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169147065 807593030 /nfs/dbraw/zinc/59/30/30/807593030.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147065 807593033 /nfs/dbraw/zinc/59/30/33/807593033.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147065 807593034 /nfs/dbraw/zinc/59/30/34/807593034.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169147065 807593038 /nfs/dbraw/zinc/59/30/38/807593038.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 2 1 270.420 3.300 20 30 CGEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258907118 807672977 /nfs/dbraw/zinc/67/29/77/807672977.db2.gz FWGNOKCBJYEQTA-INIZCTEOSA-N 2 1 299.462 3.427 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172308514 808223414 /nfs/dbraw/zinc/22/34/14/808223414.db2.gz KWVZGWCUCXHEEP-MRXNPFEDSA-N 2 1 297.446 3.049 20 30 CGEDMP CCCCCCC[C@@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172350337 808247975 /nfs/dbraw/zinc/24/79/75/808247975.db2.gz MXEFVOCFEDKRAU-HUUCEWRRSA-N 2 1 281.444 3.057 20 30 CGEDMP Cc1ccc[nH+]c1N([C@H](C)CCCC#N)C1CC[NH2+]CC1 ZINC001172506641 808363038 /nfs/dbraw/zinc/36/30/38/808363038.db2.gz YCUWLGNQMNOJQY-OAHLLOKOSA-N 2 1 286.423 3.031 20 30 CGEDMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(C#N)c1 ZINC001275616915 808951618 /nfs/dbraw/zinc/95/16/18/808951618.db2.gz PACRWUXSKLYMSQ-UHFFFAOYSA-N 2 1 297.446 3.175 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178827061 809889783 /nfs/dbraw/zinc/88/97/83/809889783.db2.gz LRZFBHYSMVLVFY-UHFFFAOYSA-N 2 1 292.426 3.398 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1-c1ccccc1 ZINC001178827061 809889786 /nfs/dbraw/zinc/88/97/86/809889786.db2.gz LRZFBHYSMVLVFY-UHFFFAOYSA-N 2 1 292.426 3.398 20 30 CGEDMP CCCCCCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001201788158 811964950 /nfs/dbraw/zinc/96/49/50/811964950.db2.gz YVNZJOHGVQPXFW-UHFFFAOYSA-N 2 1 252.446 3.375 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204755316 812727885 /nfs/dbraw/zinc/72/78/85/812727885.db2.gz GKRCHMGNJZGZII-QGZVFWFLSA-N 2 1 282.472 3.343 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001205545993 813000065 /nfs/dbraw/zinc/00/00/65/813000065.db2.gz OEMOYJVYFCWYFV-IAGOWNOFSA-N 2 1 280.431 3.442 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206022821 813169312 /nfs/dbraw/zinc/16/93/12/813169312.db2.gz CXZKKEPHIQAVKR-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1C#N ZINC001206326183 813290285 /nfs/dbraw/zinc/29/02/85/813290285.db2.gz KVVNYVRNLDVXJI-SFHVURJKSA-N 2 1 285.435 3.072 20 30 CGEDMP CC1(C#N)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208954595 813910761 /nfs/dbraw/zinc/91/07/61/813910761.db2.gz WNIZDLFCUIQEBR-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP CC1(C#N)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954595 813910766 /nfs/dbraw/zinc/91/07/66/813910766.db2.gz WNIZDLFCUIQEBR-SFHVURJKSA-N 2 1 297.446 3.134 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001233081006 818519919 /nfs/dbraw/zinc/51/99/19/818519919.db2.gz KJCXMLFAEFGCCK-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP C=CCCCC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153367 819017644 /nfs/dbraw/zinc/01/76/44/819017644.db2.gz RTVKSQXVJZSMNA-MRXNPFEDSA-N 2 1 250.430 3.197 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423352 819092570 /nfs/dbraw/zinc/09/25/70/819092570.db2.gz GCIVOCKCAYPEDC-HKUYNNGSSA-N 2 1 297.446 3.078 20 30 CGEDMP CCCCCCC[N@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663880 819131548 /nfs/dbraw/zinc/13/15/48/819131548.db2.gz XRNAEKZMHAPPFV-KGLIPLIRSA-N 2 1 276.415 3.379 20 30 CGEDMP CCCCCCC[N@@H+](C)C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235663880 819131551 /nfs/dbraw/zinc/13/15/51/819131551.db2.gz XRNAEKZMHAPPFV-KGLIPLIRSA-N 2 1 276.415 3.379 20 30 CGEDMP C=CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001235701290 819144812 /nfs/dbraw/zinc/14/48/12/819144812.db2.gz AFRFKBVSZMMBEA-KRWDZBQOSA-N 2 1 272.436 3.454 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235715721 819150370 /nfs/dbraw/zinc/15/03/70/819150370.db2.gz SPIYLFUUCRBXKG-UHFFFAOYSA-N 2 1 288.435 3.073 20 30 CGEDMP N#Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236372726 819441654 /nfs/dbraw/zinc/44/16/54/819441654.db2.gz CYIAIVIBYUSBRJ-GOSISDBHSA-N 2 1 297.446 3.302 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116973 931956264 /nfs/dbraw/zinc/95/62/64/931956264.db2.gz JNZOTSSOYHNKBS-UHFFFAOYSA-N 2 1 298.434 3.203 20 30 CGEDMP C=CCCC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001461676584 937591647 /nfs/dbraw/zinc/59/16/47/937591647.db2.gz QVAJYNIHPBOPGN-UHFFFAOYSA-N 2 1 261.413 3.230 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461733278 937594300 /nfs/dbraw/zinc/59/43/00/937594300.db2.gz GZDWWUCQELVKTO-CQSZACIVSA-N 2 1 252.446 3.441 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001462199079 937625011 /nfs/dbraw/zinc/62/50/11/937625011.db2.gz HKAQXKRUUSIYSC-GOSISDBHSA-N 2 1 276.468 3.234 20 30 CGEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307476956 932957415 /nfs/dbraw/zinc/95/74/15/932957415.db2.gz IKYZLDVCXNBKEN-KSZLIROESA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307476956 932957419 /nfs/dbraw/zinc/95/74/19/932957419.db2.gz IKYZLDVCXNBKEN-KSZLIROESA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001307476956 932957424 /nfs/dbraw/zinc/95/74/24/932957424.db2.gz IKYZLDVCXNBKEN-KSZLIROESA-N 2 1 276.468 3.375 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001307476956 932957429 /nfs/dbraw/zinc/95/74/29/932957429.db2.gz IKYZLDVCXNBKEN-KSZLIROESA-N 2 1 276.468 3.375 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC001308433414 933109348 /nfs/dbraw/zinc/10/93/48/933109348.db2.gz MBONVRSGOVNOBJ-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC001308433414 933109349 /nfs/dbraw/zinc/10/93/49/933109349.db2.gz MBONVRSGOVNOBJ-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1SC ZINC001324519948 934518252 /nfs/dbraw/zinc/51/82/52/934518252.db2.gz GAFIQHFGTAWBAZ-AWEZNQCLSA-N 2 1 276.449 3.014 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1SC ZINC001324519948 934518261 /nfs/dbraw/zinc/51/82/61/934518261.db2.gz GAFIQHFGTAWBAZ-AWEZNQCLSA-N 2 1 276.449 3.014 20 30 CGEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132249 937793879 /nfs/dbraw/zinc/79/38/79/937793879.db2.gz CYPWKLDNOQPRTP-SJORKVTESA-N 2 1 264.457 3.395 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC001473993197 937834764 /nfs/dbraw/zinc/83/47/64/937834764.db2.gz WVRZKQAYZZUXMM-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC001473993197 937834765 /nfs/dbraw/zinc/83/47/65/937834765.db2.gz WVRZKQAYZZUXMM-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001580036492 962685601 /nfs/dbraw/zinc/68/56/01/962685601.db2.gz XCDOJUOUZHEQRI-MOPGFXCFSA-N 2 1 297.446 3.148 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000193355392 346269381 /nfs/dbraw/zinc/26/93/81/346269381.db2.gz OGRDRKFKCASHQV-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607574 347201879 /nfs/dbraw/zinc/20/18/79/347201879.db2.gz XJKUBAHWBMBOBR-UHFFFAOYSA-N 2 1 287.451 3.261 20 30 CGEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607574 347201884 /nfs/dbraw/zinc/20/18/84/347201884.db2.gz XJKUBAHWBMBOBR-UHFFFAOYSA-N 2 1 287.451 3.261 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501899 347180952 /nfs/dbraw/zinc/18/09/52/347180952.db2.gz DSDVEBLLNZKQPG-QGZVFWFLSA-N 2 1 299.462 3.309 20 30 CGEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929778 347232487 /nfs/dbraw/zinc/23/24/87/347232487.db2.gz ZLDQLKNUPNKGCF-UHFFFAOYSA-N 2 1 285.435 3.063 20 30 CGEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095909 347382306 /nfs/dbraw/zinc/38/23/06/347382306.db2.gz RBLSBUDVSVCQQM-MAUKXSAKSA-N 2 1 297.446 3.331 20 30 CGEDMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069294 347713969 /nfs/dbraw/zinc/71/39/69/347713969.db2.gz FKFNZXZYXKICKQ-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069294 347713971 /nfs/dbraw/zinc/71/39/71/347713971.db2.gz FKFNZXZYXKICKQ-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735468 /nfs/dbraw/zinc/73/54/68/347735468.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735473 /nfs/dbraw/zinc/73/54/73/347735473.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735475 /nfs/dbraw/zinc/73/54/75/347735475.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735477 /nfs/dbraw/zinc/73/54/77/347735477.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 2 1 285.435 3.171 20 30 CGEDMP C[C@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711116 347829457 /nfs/dbraw/zinc/82/94/57/347829457.db2.gz RCWJIWFORNYZBU-BARLLCKDSA-N 2 1 297.446 3.121 20 30 CGEDMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521156 347975173 /nfs/dbraw/zinc/97/51/73/347975173.db2.gz NGKREHFPBLQTDD-KWJBXHGQSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCC(C#N)CC1 ZINC000602521156 347975176 /nfs/dbraw/zinc/97/51/76/347975176.db2.gz NGKREHFPBLQTDD-KWJBXHGQSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602590236 347990221 /nfs/dbraw/zinc/99/02/21/347990221.db2.gz YDLXLBIUVYYMNJ-ZIFCJYIRSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000602645512 347999957 /nfs/dbraw/zinc/99/99/57/347999957.db2.gz JNEUPNLKQZKPOJ-NVXWUHKLSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602545349 347978933 /nfs/dbraw/zinc/97/89/33/347978933.db2.gz POIXMRJLWZFQEF-HZPDHXFCSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602545349 347978938 /nfs/dbraw/zinc/97/89/38/347978938.db2.gz POIXMRJLWZFQEF-HZPDHXFCSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876668 348040184 /nfs/dbraw/zinc/04/01/84/348040184.db2.gz IMSIHUCZGXSEPI-OAHLLOKOSA-N 2 1 283.419 3.037 20 30 CGEDMP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602948846 348046981 /nfs/dbraw/zinc/04/69/81/348046981.db2.gz FJMZVHZWQIWXPN-JKSUJKDBSA-N 2 1 275.440 3.019 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805379 349157088 /nfs/dbraw/zinc/15/70/88/349157088.db2.gz NYYXGEXDFDCUCL-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755561 349282630 /nfs/dbraw/zinc/28/26/30/349282630.db2.gz ZRYAYFFEUVKADC-BLLLJJGKSA-N 2 1 291.826 3.032 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755561 349282632 /nfs/dbraw/zinc/28/26/32/349282632.db2.gz ZRYAYFFEUVKADC-BLLLJJGKSA-N 2 1 291.826 3.032 20 30 CGEDMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000414188609 235358890 /nfs/dbraw/zinc/35/88/90/235358890.db2.gz QMGOQRPCEUFHNG-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000414196839 235360847 /nfs/dbraw/zinc/36/08/47/235360847.db2.gz VKYQMXJSYRCGBE-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000574247974 335003750 /nfs/dbraw/zinc/00/37/50/335003750.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247974 335003751 /nfs/dbraw/zinc/00/37/51/335003751.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000574247974 335003752 /nfs/dbraw/zinc/00/37/52/335003752.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 2 1 262.441 3.291 20 30 CGEDMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423022988 371919720 /nfs/dbraw/zinc/91/97/20/371919720.db2.gz GKORQTAURAAHTO-CRAIPNDOSA-N 2 1 297.446 3.448 20 30 CGEDMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423174795 372005009 /nfs/dbraw/zinc/00/50/09/372005009.db2.gz BXSAJHRHESWUMG-LBPRGKRZSA-N 2 1 275.371 3.010 20 30 CGEDMP C=C[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426565596 372165216 /nfs/dbraw/zinc/16/52/16/372165216.db2.gz BQTXTAPDSZXVOQ-INIZCTEOSA-N 2 1 282.391 3.116 20 30 CGEDMP C=C(CC)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670859 372699991 /nfs/dbraw/zinc/69/99/91/372699991.db2.gz RRDOFEDIAFQIMZ-UHFFFAOYSA-N 2 1 273.424 3.365 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000442690089 373065552 /nfs/dbraw/zinc/06/55/52/373065552.db2.gz VKAQRYUFQZZWEY-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000442690089 373065559 /nfs/dbraw/zinc/06/55/59/373065559.db2.gz VKAQRYUFQZZWEY-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000442690089 373065565 /nfs/dbraw/zinc/06/55/65/373065565.db2.gz VKAQRYUFQZZWEY-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690089 373065572 /nfs/dbraw/zinc/06/55/72/373065572.db2.gz VKAQRYUFQZZWEY-CRAIPNDOSA-N 2 1 297.446 3.283 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854663 373105221 /nfs/dbraw/zinc/10/52/21/373105221.db2.gz LDVRLYQQBJMNNO-HLLBOEOZSA-N 2 1 275.440 3.065 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000449104367 373661612 /nfs/dbraw/zinc/66/16/12/373661612.db2.gz FHBJOPLRCUCTIM-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331583 373681118 /nfs/dbraw/zinc/68/11/18/373681118.db2.gz ZYMWDFQWSNGDRI-QQFBHYJXSA-N 2 1 265.445 3.169 20 30 CGEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331583 373681130 /nfs/dbraw/zinc/68/11/30/373681130.db2.gz ZYMWDFQWSNGDRI-QQFBHYJXSA-N 2 1 265.445 3.169 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560213 373831626 /nfs/dbraw/zinc/83/16/26/373831626.db2.gz HRHCHZCKAYFKBW-WZYMTQMTSA-N 2 1 250.430 3.336 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657265 375897186 /nfs/dbraw/zinc/89/71/86/375897186.db2.gz POFBQCSPIBXUFM-YQQAZPJKSA-N 2 1 258.409 3.061 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657269 375897213 /nfs/dbraw/zinc/89/72/13/375897213.db2.gz POFBQCSPIBXUFM-ZMSDIMECSA-N 2 1 258.409 3.061 20 30 CGEDMP C=CCC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000536736366 376128167 /nfs/dbraw/zinc/12/81/67/376128167.db2.gz KHWOGIVWMFWHAU-UHFFFAOYSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538148872 376222588 /nfs/dbraw/zinc/22/25/88/376222588.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538148872 376222593 /nfs/dbraw/zinc/22/25/93/376222593.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538148872 376222600 /nfs/dbraw/zinc/22/26/00/376222600.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246904919 377117047 /nfs/dbraw/zinc/11/70/47/377117047.db2.gz FOIFXXALMFQBNN-MWDXBVQZSA-N 2 1 282.472 3.066 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247005633 377136137 /nfs/dbraw/zinc/13/61/37/377136137.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247005633 377136141 /nfs/dbraw/zinc/13/61/41/377136141.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247005633 377136144 /nfs/dbraw/zinc/13/61/44/377136144.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 2 1 289.467 3.265 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341758659 377616748 /nfs/dbraw/zinc/61/67/48/377616748.db2.gz AQYLZTJGSQGQKR-AOIWGVFYSA-N 2 1 295.430 3.152 20 30 CGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000343624629 378045478 /nfs/dbraw/zinc/04/54/78/378045478.db2.gz WYPSMNKKYAUOIL-ZIAGYGMSSA-N 2 1 291.464 3.077 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000269675885 378252949 /nfs/dbraw/zinc/25/29/49/378252949.db2.gz CEYRERGYMVTUGP-UHFFFAOYSA-N 2 1 294.402 3.142 20 30 CGEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000269675885 378252960 /nfs/dbraw/zinc/25/29/60/378252960.db2.gz CEYRERGYMVTUGP-UHFFFAOYSA-N 2 1 294.402 3.142 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277017947 379045501 /nfs/dbraw/zinc/04/55/01/379045501.db2.gz AECFBZFOTNLVDZ-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277017947 379045505 /nfs/dbraw/zinc/04/55/05/379045505.db2.gz AECFBZFOTNLVDZ-PBHICJAKSA-N 2 1 271.408 3.035 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453322445 542681602 /nfs/dbraw/zinc/68/16/02/542681602.db2.gz QWNNEZYTQJAQIF-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453322445 542681606 /nfs/dbraw/zinc/68/16/06/542681606.db2.gz QWNNEZYTQJAQIF-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249369 393316029 /nfs/dbraw/zinc/31/60/29/393316029.db2.gz MLJMUVFINADHJX-QAPCUYQASA-N 2 1 283.419 3.083 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540001 393864978 /nfs/dbraw/zinc/86/49/78/393864978.db2.gz BPGAXYOSUJHJIM-COXVUDFISA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000447540001 393864979 /nfs/dbraw/zinc/86/49/79/393864979.db2.gz BPGAXYOSUJHJIM-COXVUDFISA-N 2 1 271.408 3.082 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC2CCC2)CC1 ZINC000675827886 543367660 /nfs/dbraw/zinc/36/76/60/543367660.db2.gz INKFUWBIDJHJGR-CQSZACIVSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204945 /nfs/dbraw/zinc/20/49/45/165204945.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 2 1 285.435 3.255 20 30 CGEDMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204947 /nfs/dbraw/zinc/20/49/47/165204947.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 2 1 285.435 3.255 20 30 CGEDMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204950 /nfs/dbraw/zinc/20/49/50/165204950.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 2 1 285.435 3.255 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412719 543787112 /nfs/dbraw/zinc/78/71/12/543787112.db2.gz RLDQYYYZDRRBHU-AOIWGVFYSA-N 2 1 284.447 3.289 20 30 CGEDMP CCC#C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412719 543787115 /nfs/dbraw/zinc/78/71/15/543787115.db2.gz RLDQYYYZDRRBHU-AOIWGVFYSA-N 2 1 284.447 3.289 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000685615356 544088994 /nfs/dbraw/zinc/08/89/94/544088994.db2.gz MDCVTFBLHMRYOY-ZBFHGGJFSA-N 2 1 262.441 3.219 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657583771 419309831 /nfs/dbraw/zinc/30/98/31/419309831.db2.gz PZHKYIYDVUZQMG-QGZVFWFLSA-N 2 1 270.420 3.349 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657583771 419309833 /nfs/dbraw/zinc/30/98/33/419309833.db2.gz PZHKYIYDVUZQMG-QGZVFWFLSA-N 2 1 270.420 3.349 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657830181 419376279 /nfs/dbraw/zinc/37/62/79/419376279.db2.gz MTFXPGGLIJTKNF-WMLDXEAASA-N 2 1 262.441 3.338 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000657844157 419386005 /nfs/dbraw/zinc/38/60/05/419386005.db2.gz IMNNKVREAJPAOJ-HZPDHXFCSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658113776 419587698 /nfs/dbraw/zinc/58/76/98/419587698.db2.gz JBQWBEHTLCEETF-NNZMDNLPSA-N 2 1 270.420 3.348 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088956 262008251 /nfs/dbraw/zinc/00/82/51/262008251.db2.gz DVBORSGEXKXQMJ-RDGPPVDQSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088956 262008253 /nfs/dbraw/zinc/00/82/53/262008253.db2.gz DVBORSGEXKXQMJ-RDGPPVDQSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000057994182 262350559 /nfs/dbraw/zinc/35/05/59/262350559.db2.gz IVBFQEJHLUQNQT-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000340226093 263097976 /nfs/dbraw/zinc/09/79/76/263097976.db2.gz BLUBYAHLDIDLPC-SJORKVTESA-N 2 1 271.408 3.105 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000340226093 263097977 /nfs/dbraw/zinc/09/79/77/263097977.db2.gz BLUBYAHLDIDLPC-SJORKVTESA-N 2 1 271.408 3.105 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161498768 264285827 /nfs/dbraw/zinc/28/58/27/264285827.db2.gz QTSXYPRWUFRFSS-WBVHZDCISA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161498768 264285832 /nfs/dbraw/zinc/28/58/32/264285832.db2.gz QTSXYPRWUFRFSS-WBVHZDCISA-N 2 1 288.435 3.071 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292926765 278310157 /nfs/dbraw/zinc/31/01/57/278310157.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292926765 278310158 /nfs/dbraw/zinc/31/01/58/278310158.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292926765 278310159 /nfs/dbraw/zinc/31/01/59/278310159.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292926765 278310160 /nfs/dbraw/zinc/31/01/60/278310160.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000558419131 327092759 /nfs/dbraw/zinc/09/27/59/327092759.db2.gz ORDOWSHPBFZFFX-CVEARBPZSA-N 2 1 252.446 3.441 20 30 CGEDMP CC[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000564098473 329672306 /nfs/dbraw/zinc/67/23/06/329672306.db2.gz PZAMTLKNPDJJIH-GOSISDBHSA-N 2 1 285.435 3.454 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912841 330160068 /nfs/dbraw/zinc/16/00/68/330160068.db2.gz WZWZJBSZRAIJSS-HOTGVXAUSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000527927980 330296844 /nfs/dbraw/zinc/29/68/44/330296844.db2.gz SNIDGVICGIKLIC-ZNMIVQPWSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330462 330342193 /nfs/dbraw/zinc/34/21/93/330342193.db2.gz QRCJZSSKHZLWKA-QXCFHYIPSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330462 330342194 /nfs/dbraw/zinc/34/21/94/330342194.db2.gz QRCJZSSKHZLWKA-QXCFHYIPSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595050 330386521 /nfs/dbraw/zinc/38/65/21/330386521.db2.gz BVSVUJLSOLOAOD-DLBZAZTESA-N 2 1 294.483 3.212 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1c1ccccc1 ZINC000453298741 331112864 /nfs/dbraw/zinc/11/28/64/331112864.db2.gz XZCRSFOCJIUUTO-GDAAHCPNSA-N 2 1 297.446 3.494 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1c1ccccc1 ZINC000453298741 331112865 /nfs/dbraw/zinc/11/28/65/331112865.db2.gz XZCRSFOCJIUUTO-GDAAHCPNSA-N 2 1 297.446 3.494 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000552048509 334281457 /nfs/dbraw/zinc/28/14/57/334281457.db2.gz VOMRHYJFYRNZDL-HZPDHXFCSA-N 2 1 250.430 3.051 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CC(C)C ZINC000248903164 334321535 /nfs/dbraw/zinc/32/15/35/334321535.db2.gz UPUSYXHQZKSFIW-IKGGRYGDSA-N 2 1 279.472 3.415 20 30 CGEDMP C=C(CC)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000382022990 336080433 /nfs/dbraw/zinc/08/04/33/336080433.db2.gz YTFHWPMRFKJESA-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382022990 336080434 /nfs/dbraw/zinc/08/04/34/336080434.db2.gz YTFHWPMRFKJESA-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000382022990 336080435 /nfs/dbraw/zinc/08/04/35/336080435.db2.gz YTFHWPMRFKJESA-OALUTQOASA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000382022992 336080472 /nfs/dbraw/zinc/08/04/72/336080472.db2.gz YTFHWPMRFKJESA-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382022992 336080473 /nfs/dbraw/zinc/08/04/73/336080473.db2.gz YTFHWPMRFKJESA-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000382022992 336080474 /nfs/dbraw/zinc/08/04/74/336080474.db2.gz YTFHWPMRFKJESA-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1F ZINC000358561346 533999502 /nfs/dbraw/zinc/99/95/02/533999502.db2.gz GIWQCQUPYTUPRM-QEJZJMRPSA-N 2 1 289.398 3.221 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CC#Cc2ccccc2)C1 ZINC000892583263 618867740 /nfs/dbraw/zinc/86/77/40/618867740.db2.gz BNFGTRNDPZPLLX-SFHVURJKSA-N 2 1 284.447 3.140 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000314087617 618958424 /nfs/dbraw/zinc/95/84/24/618958424.db2.gz HFEWPMJTIVMTQN-GOSISDBHSA-N 2 1 295.515 3.107 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000924958240 619461792 /nfs/dbraw/zinc/46/17/92/619461792.db2.gz DMCCAAVKLYLWNN-GJZGRUSLSA-N 2 1 265.445 3.025 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381281 621722155 /nfs/dbraw/zinc/72/21/55/621722155.db2.gz UTZIWUKAQMTVMK-HOCLYGCPSA-N 2 1 261.413 3.019 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000793520700 629471888 /nfs/dbraw/zinc/47/18/88/629471888.db2.gz HJVSYEVJEUMBQJ-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP CCCCCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796259773 629758168 /nfs/dbraw/zinc/75/81/68/629758168.db2.gz YDGSJMNXNIKICA-UHFFFAOYSA-N 2 1 269.458 3.265 20 30 CGEDMP C=CCCCCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000808418694 630643076 /nfs/dbraw/zinc/64/30/76/630643076.db2.gz AYCNSIBVSVEYIQ-UHFFFAOYSA-N 2 1 261.413 3.374 20 30 CGEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000817938110 632238290 /nfs/dbraw/zinc/23/82/90/632238290.db2.gz DQXYLVJVZVZXBK-OAHLLOKOSA-N 2 1 286.419 3.011 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846172118 636154004 /nfs/dbraw/zinc/15/40/04/636154004.db2.gz WNZPTAYHDCSTHC-IBGZPJMESA-N 2 1 299.462 3.248 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846172118 636154006 /nfs/dbraw/zinc/15/40/06/636154006.db2.gz WNZPTAYHDCSTHC-IBGZPJMESA-N 2 1 299.462 3.248 20 30 CGEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000883167190 636564064 /nfs/dbraw/zinc/56/40/64/636564064.db2.gz SDJLUCBSFNIMAB-KRWDZBQOSA-N 2 1 288.435 3.084 20 30 CGEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)[C@H]1CCCO1 ZINC000883186897 636572218 /nfs/dbraw/zinc/57/22/18/636572218.db2.gz BJYULGIQUREFPM-ZWKOTPCHSA-N 2 1 292.467 3.130 20 30 CGEDMP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000883390255 636734585 /nfs/dbraw/zinc/73/45/85/636734585.db2.gz IOGFSCCFYXQBEB-RHSMWYFYSA-N 2 1 299.418 3.158 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000926737295 638805314 /nfs/dbraw/zinc/80/53/14/638805314.db2.gz FAFPKXVULINHOL-GDBMZVCRSA-N 2 1 277.456 3.026 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001252121037 806007520 /nfs/dbraw/zinc/00/75/20/806007520.db2.gz BITBEAOTERQRRR-QGZVFWFLSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001252134621 806019326 /nfs/dbraw/zinc/01/93/26/806019326.db2.gz SCFWCZLFMWXZBB-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254655290 806476808 /nfs/dbraw/zinc/47/68/08/806476808.db2.gz CQICYENHXVJAPK-SRABZTEZSA-N 2 1 275.440 3.193 20 30 CGEDMP CC[C@H](CC#N)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162823 806561942 /nfs/dbraw/zinc/56/19/42/806561942.db2.gz ZNJXMHNEMCDCNN-BRWVUGGUSA-N 2 1 277.456 3.441 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001255961732 806800475 /nfs/dbraw/zinc/80/04/75/806800475.db2.gz PFZLKRQQDIBQMQ-OAHLLOKOSA-N 2 1 273.424 3.110 20 30 CGEDMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001255961732 806800483 /nfs/dbraw/zinc/80/04/83/806800483.db2.gz PFZLKRQQDIBQMQ-OAHLLOKOSA-N 2 1 273.424 3.110 20 30 CGEDMP CC(C)(C#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641054 800177018 /nfs/dbraw/zinc/17/70/18/800177018.db2.gz XMGWZCLFRPDGES-BZSNNMDCSA-N 2 1 297.446 3.179 20 30 CGEDMP CC(C)(C#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641054 800177020 /nfs/dbraw/zinc/17/70/20/800177020.db2.gz XMGWZCLFRPDGES-BZSNNMDCSA-N 2 1 297.446 3.179 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001256563821 806916564 /nfs/dbraw/zinc/91/65/64/806916564.db2.gz HKMUPLGMEWDVKV-GOSISDBHSA-N 2 1 297.446 3.398 20 30 CGEDMP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572917 806919420 /nfs/dbraw/zinc/91/94/20/806919420.db2.gz ZZHYWKWWYVNMJW-UHFFFAOYSA-N 2 1 285.435 3.253 20 30 CGEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572917 806919424 /nfs/dbraw/zinc/91/94/24/806919424.db2.gz ZZHYWKWWYVNMJW-UHFFFAOYSA-N 2 1 285.435 3.253 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246016608 804098071 /nfs/dbraw/zinc/09/80/71/804098071.db2.gz MFDXFRXORHXMJO-RCCFBDPRSA-N 2 1 298.515 3.405 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246025371 804100914 /nfs/dbraw/zinc/10/09/14/804100914.db2.gz XOOGAMDAXYWTEW-MSOLQXFVSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019292 804100979 /nfs/dbraw/zinc/10/09/79/804100979.db2.gz IKOAAVLQURXVOC-BZSNNMDCSA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058860 804104006 /nfs/dbraw/zinc/10/40/06/804104006.db2.gz GVZZQRWVBVFBBV-SQNIBIBYSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC001246061199 804104482 /nfs/dbraw/zinc/10/44/82/804104482.db2.gz IQEWOGDIGSJXDQ-QGZVFWFLSA-N 2 1 284.488 3.173 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001246055020 804105224 /nfs/dbraw/zinc/10/52/24/804105224.db2.gz JTUPNRDHUKMDKH-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC001246055020 804105228 /nfs/dbraw/zinc/10/52/28/804105228.db2.gz JTUPNRDHUKMDKH-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246283419 804257537 /nfs/dbraw/zinc/25/75/37/804257537.db2.gz BQTNKWLHIZIEDR-WBVHZDCISA-N 2 1 276.399 3.483 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246289043 804260368 /nfs/dbraw/zinc/26/03/68/804260368.db2.gz OCBMZJMIWBSQMK-IAGOWNOFSA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCC[N@@H+](CCN)C1CCC2(C[NH2+]C2)CC1 ZINC001246311105 804272817 /nfs/dbraw/zinc/27/28/17/804272817.db2.gz RRPBQRZVXOHWBU-UHFFFAOYSA-N 2 1 295.515 3.140 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246327569 804284102 /nfs/dbraw/zinc/28/41/02/804284102.db2.gz OKOJCBDYEZZKMM-HUUCEWRRSA-N 2 1 288.435 3.433 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@H](COC)C1 ZINC001246466584 804346851 /nfs/dbraw/zinc/34/68/51/804346851.db2.gz QYKANEMWRVSTQX-ZACQAIPSSA-N 2 1 284.488 3.482 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594497 804435015 /nfs/dbraw/zinc/43/50/15/804435015.db2.gz WCLLSYOZXCMEFJ-REPLKXPHSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](CC)[NH2+]1 ZINC001246594497 804435021 /nfs/dbraw/zinc/43/50/21/804435021.db2.gz WCLLSYOZXCMEFJ-REPLKXPHSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246771549 804504095 /nfs/dbraw/zinc/50/40/95/804504095.db2.gz YZFOBEBKKFLEAM-ZSHCYNCHSA-N 2 1 252.446 3.277 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246816657 804531501 /nfs/dbraw/zinc/53/15/01/804531501.db2.gz KVWIYUFNJRMFIA-DFQSSKMNSA-N 2 1 296.458 3.386 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246816657 804531505 /nfs/dbraw/zinc/53/15/05/804531505.db2.gz KVWIYUFNJRMFIA-DFQSSKMNSA-N 2 1 296.458 3.386 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246852299 804561334 /nfs/dbraw/zinc/56/13/34/804561334.db2.gz OPNASYBRJDXQTD-ZWKOTPCHSA-N 2 1 272.436 3.248 20 30 CGEDMP C=CCC[C@@H](C)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246862822 804567627 /nfs/dbraw/zinc/56/76/27/804567627.db2.gz RVNYJFCTYITMEU-MRXNPFEDSA-N 2 1 284.447 3.478 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCC(C#N)CC1 ZINC001256973093 807020030 /nfs/dbraw/zinc/02/00/30/807020030.db2.gz LCMXAEONJSPBTK-ZGUYJTEBSA-N 2 1 289.467 3.408 20 30 CGEDMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011253 807026018 /nfs/dbraw/zinc/02/60/18/807026018.db2.gz INTWESBAVMYWBU-IPJUCJBFSA-N 2 1 297.446 3.126 20 30 CGEDMP C=C1C[C@@H]2CC(n3c(C)c[nH+]c3CC[NH3+])C[C@H](C1)C2 ZINC001257886567 807238022 /nfs/dbraw/zinc/23/80/22/807238022.db2.gz IWIUOLUGNQWTDA-YIONKMFJSA-N 2 1 259.397 3.000 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+](CCC[NH3+])C(C)C)C[C@H](C1)C2 ZINC001257886896 807238924 /nfs/dbraw/zinc/23/89/24/807238924.db2.gz OZPCEBYPWRNPDQ-XYPWUTKMSA-N 2 1 250.430 3.181 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001171191926 808005280 /nfs/dbraw/zinc/00/52/80/808005280.db2.gz IHSQPCQHOOFUMD-UDTPNQRGSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001171191926 808005286 /nfs/dbraw/zinc/00/52/86/808005286.db2.gz IHSQPCQHOOFUMD-UDTPNQRGSA-N 2 1 297.446 3.094 20 30 CGEDMP CC(C)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199415 808007706 /nfs/dbraw/zinc/00/77/06/808007706.db2.gz ZSLGRRHFZKWDPE-SNRMKQJTSA-N 2 1 299.462 3.470 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(C#N)cc2)CC1(C)C ZINC001171616614 808105510 /nfs/dbraw/zinc/10/55/10/808105510.db2.gz CSCLSESGKINZKH-UHFFFAOYSA-N 2 1 285.435 3.299 20 30 CGEDMP C=CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063799 808169954 /nfs/dbraw/zinc/16/99/54/808169954.db2.gz DOGIWZSOPBWRFB-BCDXTJNWSA-N 2 1 270.420 3.348 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001172295545 808218587 /nfs/dbraw/zinc/21/85/87/808218587.db2.gz SUOJGFYEQMUFLD-MRXNPFEDSA-N 2 1 299.462 3.473 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172311592 808223550 /nfs/dbraw/zinc/22/35/50/808223550.db2.gz VLWGUZGPCZOYCC-CQSZACIVSA-N 2 1 294.402 3.025 20 30 CGEDMP CCCCCCC[C@@H](CC)[NH2+]C1CC[NH+](CCO)CC1 ZINC001172346692 808245390 /nfs/dbraw/zinc/24/53/90/808245390.db2.gz LOSYIAXHVXAPBV-MRXNPFEDSA-N 2 1 284.488 3.172 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277234369 809065849 /nfs/dbraw/zinc/06/58/49/809065849.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277234369 809065857 /nfs/dbraw/zinc/06/58/57/809065857.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277234369 809065864 /nfs/dbraw/zinc/06/58/64/809065864.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277234369 809065872 /nfs/dbraw/zinc/06/58/72/809065872.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 2 1 297.446 3.038 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131194 812880625 /nfs/dbraw/zinc/88/06/25/812880625.db2.gz SXDVCTSEJILRID-JKSUJKDBSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C[NH3+] ZINC001205651691 813042526 /nfs/dbraw/zinc/04/25/26/813042526.db2.gz IFSCVOVXKSRLFH-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901268 813123035 /nfs/dbraw/zinc/12/30/35/813123035.db2.gz CCMKBPOWNCEUDQ-JKSUJKDBSA-N 2 1 288.435 3.201 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC001206047267 813180908 /nfs/dbraw/zinc/18/09/08/813180908.db2.gz FSRNFMQXYJSNED-IAGOWNOFSA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC001206047267 813180912 /nfs/dbraw/zinc/18/09/12/813180912.db2.gz FSRNFMQXYJSNED-IAGOWNOFSA-N 2 1 264.457 3.136 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206319175 813287719 /nfs/dbraw/zinc/28/77/19/813287719.db2.gz ZASLFLVPGANMSP-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940503 813905667 /nfs/dbraw/zinc/90/56/67/813905667.db2.gz SLQCAXKKVIJEIC-QUCCMNQESA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940503 813905673 /nfs/dbraw/zinc/90/56/73/813905673.db2.gz SLQCAXKKVIJEIC-QUCCMNQESA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940503 813905677 /nfs/dbraw/zinc/90/56/77/813905677.db2.gz SLQCAXKKVIJEIC-QUCCMNQESA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001209161230 813952199 /nfs/dbraw/zinc/95/21/99/813952199.db2.gz JRSNVTQBOXYQFD-OAHLLOKOSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001209161230 813952206 /nfs/dbraw/zinc/95/22/06/813952206.db2.gz JRSNVTQBOXYQFD-OAHLLOKOSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001209161230 813952214 /nfs/dbraw/zinc/95/22/14/813952214.db2.gz JRSNVTQBOXYQFD-OAHLLOKOSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001209161230 813952219 /nfs/dbraw/zinc/95/22/19/813952219.db2.gz JRSNVTQBOXYQFD-OAHLLOKOSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209445774 814045929 /nfs/dbraw/zinc/04/59/29/814045929.db2.gz NHJBYRIEZJUISY-CALCHBBNSA-N 2 1 264.457 3.397 20 30 CGEDMP N#Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385777 816427148 /nfs/dbraw/zinc/42/71/48/816427148.db2.gz WOJJQZHMODSVQQ-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP N#Cc1ccc(CCC[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc1 ZINC001222385777 816427153 /nfs/dbraw/zinc/42/71/53/816427153.db2.gz WOJJQZHMODSVQQ-LJQANCHMSA-N 2 1 297.446 3.099 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235256732 819054247 /nfs/dbraw/zinc/05/42/47/819054247.db2.gz SVBKXWDAVVONPB-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264340 819057660 /nfs/dbraw/zinc/05/76/60/819057660.db2.gz WYXKOFYOAVXSLN-CVEARBPZSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958521 819245963 /nfs/dbraw/zinc/24/59/63/819245963.db2.gz GZAXZPNFKAKALB-MUJYYYPQSA-N 2 1 252.446 3.406 20 30 CGEDMP C=CCCC[N@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236441673 819480572 /nfs/dbraw/zinc/48/05/72/819480572.db2.gz TWBJTYHFTXDIQL-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C#Cc1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236457803 819486193 /nfs/dbraw/zinc/48/61/93/819486193.db2.gz QGTRTIGFSJJUHG-UHFFFAOYSA-N 2 1 284.447 3.268 20 30 CGEDMP C#CCCC[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509180 819508563 /nfs/dbraw/zinc/50/85/63/819508563.db2.gz JBLZEGUBDZDSHM-UHFFFAOYSA-N 2 1 288.410 3.102 20 30 CGEDMP C#Cc1ccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553213 819534927 /nfs/dbraw/zinc/53/49/27/819534927.db2.gz PQRFGNMZUCCMHU-WGSAOQKQSA-N 2 1 282.431 3.150 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001171204429 928200536 /nfs/dbraw/zinc/20/05/36/928200536.db2.gz XRYMRVIFGLNDRI-GPMSIDNRSA-N 2 1 299.462 3.198 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000381416447 928738792 /nfs/dbraw/zinc/73/87/92/928738792.db2.gz RIBDJWMANGMLPK-CQSZACIVSA-N 2 1 290.476 3.233 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000381416447 928738800 /nfs/dbraw/zinc/73/88/00/928738800.db2.gz RIBDJWMANGMLPK-CQSZACIVSA-N 2 1 290.476 3.233 20 30 CGEDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096295 934000134 /nfs/dbraw/zinc/00/01/34/934000134.db2.gz RHQNUFMYVVZKSB-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096295 934000138 /nfs/dbraw/zinc/00/01/38/934000138.db2.gz RHQNUFMYVVZKSB-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP C#CC[N@@H+](CC#CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473190510 937796263 /nfs/dbraw/zinc/79/62/63/937796263.db2.gz RKAPYXKQPAAAEO-UHFFFAOYSA-N 2 1 294.442 3.131 20 30 CGEDMP C#CC[N@H+](CC#CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473190510 937796264 /nfs/dbraw/zinc/79/62/64/937796264.db2.gz RKAPYXKQPAAAEO-UHFFFAOYSA-N 2 1 294.442 3.131 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001473927260 937831083 /nfs/dbraw/zinc/83/10/83/937831083.db2.gz ZNKYAVZLRWNYRD-BZUAXINKSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001574907685 962334449 /nfs/dbraw/zinc/33/44/49/962334449.db2.gz XOJWZWSHIXGXHN-MRXNPFEDSA-N 2 1 250.430 3.054 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001576301211 962446694 /nfs/dbraw/zinc/44/66/94/962446694.db2.gz NHPSDXIYWOXNSR-ZTFGCOKTSA-N 2 1 283.419 3.070 20 30 CGEDMP C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413486 349801668 /nfs/dbraw/zinc/80/16/68/349801668.db2.gz XSVZJXHPBQNNFL-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413486 349801670 /nfs/dbraw/zinc/80/16/70/349801670.db2.gz XSVZJXHPBQNNFL-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413486 349801672 /nfs/dbraw/zinc/80/16/72/349801672.db2.gz XSVZJXHPBQNNFL-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC000106246398 345930134 /nfs/dbraw/zinc/93/01/34/345930134.db2.gz GTGNIYIRQQPDLS-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081209 347279783 /nfs/dbraw/zinc/27/97/83/347279783.db2.gz QXKMJANEQILWQG-PMPSAXMXSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081209 347279785 /nfs/dbraw/zinc/27/97/85/347279785.db2.gz QXKMJANEQILWQG-PMPSAXMXSA-N 2 1 275.440 3.065 20 30 CGEDMP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000599300797 347733613 /nfs/dbraw/zinc/73/36/13/347733613.db2.gz WUUAANHOCKJWSB-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000599300797 347733614 /nfs/dbraw/zinc/73/36/14/347733614.db2.gz WUUAANHOCKJWSB-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N ZINC000599300797 347733615 /nfs/dbraw/zinc/73/36/15/347733615.db2.gz WUUAANHOCKJWSB-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000599300797 347733616 /nfs/dbraw/zinc/73/36/16/347733616.db2.gz WUUAANHOCKJWSB-SFHVURJKSA-N 2 1 285.435 3.173 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601289552 347889485 /nfs/dbraw/zinc/88/94/85/347889485.db2.gz OOLYVHQEUKAQSC-YSHGAJCASA-N 2 1 297.446 3.036 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602523290 347975904 /nfs/dbraw/zinc/97/59/04/347975904.db2.gz AGPFUCVDRFEXGA-MJGOQNOKSA-N 2 1 299.462 3.428 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602564636 347983534 /nfs/dbraw/zinc/98/35/34/347983534.db2.gz VJMJYYQYSJXWED-AOIWGVFYSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602564636 347983538 /nfs/dbraw/zinc/98/35/38/347983538.db2.gz VJMJYYQYSJXWED-AOIWGVFYSA-N 2 1 299.462 3.426 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121908 349980450 /nfs/dbraw/zinc/98/04/50/349980450.db2.gz FWHWZKGWCKOXLR-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625703017 350199847 /nfs/dbraw/zinc/19/98/47/350199847.db2.gz PRAKPMYYUMBZJZ-SPCWZHTESA-N 2 1 274.452 3.339 20 30 CGEDMP C=CC[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703017 350199849 /nfs/dbraw/zinc/19/98/49/350199849.db2.gz PRAKPMYYUMBZJZ-SPCWZHTESA-N 2 1 274.452 3.339 20 30 CGEDMP C=CC[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](CC=C)C2)C1 ZINC000625703017 350199851 /nfs/dbraw/zinc/19/98/51/350199851.db2.gz PRAKPMYYUMBZJZ-SPCWZHTESA-N 2 1 274.452 3.339 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271542961 191203023 /nfs/dbraw/zinc/20/30/23/191203023.db2.gz UPRQZDLWWGZWQW-PKOBYXMFSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271542961 191203025 /nfs/dbraw/zinc/20/30/25/191203025.db2.gz UPRQZDLWWGZWQW-PKOBYXMFSA-N 2 1 284.447 3.290 20 30 CGEDMP CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067023 370093712 /nfs/dbraw/zinc/09/37/12/370093712.db2.gz REZWONOPZNGQEG-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092067023 370093715 /nfs/dbraw/zinc/09/37/15/370093715.db2.gz REZWONOPZNGQEG-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092067023 370093718 /nfs/dbraw/zinc/09/37/18/370093718.db2.gz REZWONOPZNGQEG-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092067023 370093721 /nfs/dbraw/zinc/09/37/21/370093721.db2.gz REZWONOPZNGQEG-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249053 371406387 /nfs/dbraw/zinc/40/63/87/371406387.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249053 371406393 /nfs/dbraw/zinc/40/63/93/371406393.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249053 371406399 /nfs/dbraw/zinc/40/63/99/371406399.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC[NH+]1C ZINC000135249053 371406404 /nfs/dbraw/zinc/40/64/04/371406404.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 2 1 299.462 3.402 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000449104365 373661779 /nfs/dbraw/zinc/66/17/79/373661779.db2.gz FHBJOPLRCUCTIM-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450693136 374172392 /nfs/dbraw/zinc/17/23/92/374172392.db2.gz CXNSHFPSEBJQMQ-WMZOPIPTSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693136 374172396 /nfs/dbraw/zinc/17/23/96/374172396.db2.gz CXNSHFPSEBJQMQ-WMZOPIPTSA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685126 374441956 /nfs/dbraw/zinc/44/19/56/374441956.db2.gz SSZDGLATJTTZOJ-ZDUSSCGKSA-N 2 1 255.365 3.407 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187700898 375076902 /nfs/dbraw/zinc/07/69/02/375076902.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187700898 375076913 /nfs/dbraw/zinc/07/69/13/375076913.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000187700898 375076920 /nfs/dbraw/zinc/07/69/20/375076920.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000187700898 375076925 /nfs/dbraw/zinc/07/69/25/375076925.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 2 1 285.435 3.425 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221579 375630681 /nfs/dbraw/zinc/63/06/81/375630681.db2.gz ZWWOMEZGABWLAD-DDBAPUKQSA-N 2 1 270.420 3.346 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000336373970 375783613 /nfs/dbraw/zinc/78/36/13/375783613.db2.gz ZSZBEHQNJWNCEB-TVPLGVNVSA-N 2 1 295.430 3.152 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000536652406 376109324 /nfs/dbraw/zinc/10/93/24/376109324.db2.gz JGPLTRMLBCZDHD-UHFFFAOYSA-N 2 1 291.464 3.172 20 30 CGEDMP CCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000270644743 378381101 /nfs/dbraw/zinc/38/11/01/378381101.db2.gz NRFUFVCCTMHXRB-UHFFFAOYSA-N 2 1 296.418 3.366 20 30 CGEDMP CCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000270644743 378381105 /nfs/dbraw/zinc/38/11/05/378381105.db2.gz NRFUFVCCTMHXRB-UHFFFAOYSA-N 2 1 296.418 3.366 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC#Cc1ccccc1 ZINC000277198063 379095522 /nfs/dbraw/zinc/09/55/22/379095522.db2.gz MJHMKOLLHDFBJU-UHFFFAOYSA-N 2 1 295.430 3.209 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC#Cc1ccccc1 ZINC000277198063 379095534 /nfs/dbraw/zinc/09/55/34/379095534.db2.gz MJHMKOLLHDFBJU-UHFFFAOYSA-N 2 1 295.430 3.209 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446497 380036339 /nfs/dbraw/zinc/03/63/39/380036339.db2.gz RUYCTULZXLOSKC-HOTGVXAUSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446497 380036343 /nfs/dbraw/zinc/03/63/43/380036343.db2.gz RUYCTULZXLOSKC-HOTGVXAUSA-N 2 1 279.472 3.369 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446497 380036352 /nfs/dbraw/zinc/03/63/52/380036352.db2.gz RUYCTULZXLOSKC-HOTGVXAUSA-N 2 1 279.472 3.369 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163397 380195261 /nfs/dbraw/zinc/19/52/61/380195261.db2.gz IMVHDDONCJDZAU-IAGOWNOFSA-N 2 1 285.435 3.351 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163397 380195266 /nfs/dbraw/zinc/19/52/66/380195266.db2.gz IMVHDDONCJDZAU-IAGOWNOFSA-N 2 1 285.435 3.351 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361459626 381754309 /nfs/dbraw/zinc/75/43/09/381754309.db2.gz NNTXRFVWSGJVOY-BRWVUGGUSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccco1 ZINC000285663523 392329447 /nfs/dbraw/zinc/32/94/47/392329447.db2.gz MYTNDXXKUWGMSS-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663523 392329452 /nfs/dbraw/zinc/32/94/52/392329452.db2.gz MYTNDXXKUWGMSS-GJZGRUSLSA-N 2 1 262.397 3.218 20 30 CGEDMP C=CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000285786812 392331161 /nfs/dbraw/zinc/33/11/61/392331161.db2.gz UMEOOKNDNHBEFP-HNNXBMFYSA-N 2 1 262.397 3.362 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966510 392647525 /nfs/dbraw/zinc/64/75/25/392647525.db2.gz QAWNPIAHDHKHSF-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966510 392647527 /nfs/dbraw/zinc/64/75/27/392647527.db2.gz QAWNPIAHDHKHSF-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966510 392647531 /nfs/dbraw/zinc/64/75/31/392647531.db2.gz QAWNPIAHDHKHSF-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966510 392647535 /nfs/dbraw/zinc/64/75/35/392647535.db2.gz QAWNPIAHDHKHSF-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000353935660 393234984 /nfs/dbraw/zinc/23/49/84/393234984.db2.gz XOQDWQNTYDVFEZ-QAPCUYQASA-N 2 1 288.435 3.071 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460590 /nfs/dbraw/zinc/46/05/90/393460590.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460597 /nfs/dbraw/zinc/46/05/97/393460597.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460603 /nfs/dbraw/zinc/46/06/03/393460603.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 2 1 285.435 3.029 20 30 CGEDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360839020 393595824 /nfs/dbraw/zinc/59/58/24/393595824.db2.gz WAFWRFIPPJZXFG-QFBILLFUSA-N 2 1 297.446 3.257 20 30 CGEDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260950 393656097 /nfs/dbraw/zinc/65/60/97/393656097.db2.gz IWIWQDNDOJQSFU-GUYCJALGSA-N 2 1 271.408 3.116 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670267256 543148871 /nfs/dbraw/zinc/14/88/71/543148871.db2.gz XTDCZRLCKHYZPT-CQSZACIVSA-N 2 1 252.446 3.299 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000685615351 544089703 /nfs/dbraw/zinc/08/97/03/544089703.db2.gz MDCVTFBLHMRYOY-GDBMZVCRSA-N 2 1 262.441 3.219 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657875149 419397934 /nfs/dbraw/zinc/39/79/34/419397934.db2.gz HBDFDKLPRDIDEK-GFCCVEGCSA-N 2 1 274.399 3.296 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663344310 419566278 /nfs/dbraw/zinc/56/62/78/419566278.db2.gz RENBEGQOTPATSM-NJAFHUGGSA-N 2 1 276.468 3.443 20 30 CGEDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1 ZINC000447562408 276434571 /nfs/dbraw/zinc/43/45/71/276434571.db2.gz LMWNXPBCZUSFLF-GOSISDBHSA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247977543 290221861 /nfs/dbraw/zinc/22/18/61/290221861.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247977543 290221863 /nfs/dbraw/zinc/22/18/63/290221863.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247977543 290221865 /nfs/dbraw/zinc/22/18/65/290221865.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C=CCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990905 330162987 /nfs/dbraw/zinc/16/29/87/330162987.db2.gz AIZIYRLHRNHNIL-PVAVHDDUSA-N 2 1 258.409 3.424 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423341618 330191982 /nfs/dbraw/zinc/19/19/82/330191982.db2.gz MOCCRNFJAQLGQJ-HOCLYGCPSA-N 2 1 262.397 3.266 20 30 CGEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000527927975 330296815 /nfs/dbraw/zinc/29/68/15/330296815.db2.gz SNIDGVICGIKLIC-KFWWJZLASA-N 2 1 250.430 3.051 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000537049246 330394816 /nfs/dbraw/zinc/39/48/16/330394816.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000537049246 330394817 /nfs/dbraw/zinc/39/48/17/330394817.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000537049246 330394818 /nfs/dbraw/zinc/39/48/18/330394818.db2.gz YGWRMGMJXCFIJR-DOTOQJQBSA-N 2 1 264.457 3.395 20 30 CGEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973334 333051939 /nfs/dbraw/zinc/05/19/39/333051939.db2.gz PDQSNPZFMTVGDU-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973334 333051940 /nfs/dbraw/zinc/05/19/40/333051940.db2.gz PDQSNPZFMTVGDU-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309973334 333051941 /nfs/dbraw/zinc/05/19/41/333051941.db2.gz PDQSNPZFMTVGDU-MOPGFXCFSA-N 2 1 284.447 3.407 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000135132668 334117018 /nfs/dbraw/zinc/11/70/18/334117018.db2.gz QAMBULGJUXGLBD-HNNXBMFYSA-N 2 1 265.445 3.170 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000550857467 334230426 /nfs/dbraw/zinc/23/04/26/334230426.db2.gz TYPHFBORXQOQFP-ZNMIVQPWSA-N 2 1 250.430 3.051 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248815408 334317896 /nfs/dbraw/zinc/31/78/96/334317896.db2.gz KYEUNDGDCLWWIE-KZNAEPCWSA-N 2 1 291.483 3.415 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381860822 336074727 /nfs/dbraw/zinc/07/47/27/336074727.db2.gz IXJLKGGRBKIEHJ-GUDVDZBRSA-N 2 1 284.447 3.453 20 30 CGEDMP C=C(CC)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960221 526860138 /nfs/dbraw/zinc/86/01/38/526860138.db2.gz PLZRTCWMUHCZNJ-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(CC)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960223 526860306 /nfs/dbraw/zinc/86/03/06/526860306.db2.gz PLZRTCWMUHCZNJ-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722170 621796205 /nfs/dbraw/zinc/79/62/05/621796205.db2.gz ICUWTFDZVCFCAH-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722170 621796211 /nfs/dbraw/zinc/79/62/11/621796211.db2.gz ICUWTFDZVCFCAH-QGZVFWFLSA-N 2 1 288.435 3.073 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685509 626767672 /nfs/dbraw/zinc/76/76/72/626767672.db2.gz XMDFREPYEDCAGA-NEWSRXKRSA-N 2 1 284.447 3.287 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000809685509 626767677 /nfs/dbraw/zinc/76/76/77/626767677.db2.gz XMDFREPYEDCAGA-NEWSRXKRSA-N 2 1 284.447 3.287 20 30 CGEDMP C=CCCCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000806167637 630552491 /nfs/dbraw/zinc/55/24/91/630552491.db2.gz CNPWOEGLMKZLMG-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000815652081 631813855 /nfs/dbraw/zinc/81/38/55/631813855.db2.gz NZUPEBHJODMSLS-GOSISDBHSA-N 2 1 288.435 3.081 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1ccc(OC)cc1 ZINC000815652081 631813856 /nfs/dbraw/zinc/81/38/56/631813856.db2.gz NZUPEBHJODMSLS-GOSISDBHSA-N 2 1 288.435 3.081 20 30 CGEDMP CC(C)C[N@@H+](C[C@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877767169 635192900 /nfs/dbraw/zinc/19/29/00/635192900.db2.gz AXXDLMVBGCSLSE-MRXNPFEDSA-N 2 1 279.472 3.226 20 30 CGEDMP C#CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844325738 635870911 /nfs/dbraw/zinc/87/09/11/635870911.db2.gz CQGYUGLIOSYHSN-MRXNPFEDSA-N 2 1 290.476 3.224 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCCO1 ZINC000883185914 636571995 /nfs/dbraw/zinc/57/19/95/636571995.db2.gz GRCRMGSDWQHVDP-OKZBNKHCSA-N 2 1 294.483 3.210 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883187266 636572740 /nfs/dbraw/zinc/57/27/40/636572740.db2.gz KIUDDZKWMNTRMF-MRXNPFEDSA-N 2 1 262.441 3.339 20 30 CGEDMP C[N@@H+](CCCCC1(C#N)CCC1)CCC[NH+]1CCCC1 ZINC000930310595 638990194 /nfs/dbraw/zinc/99/01/94/638990194.db2.gz JOZKWPYDXGTTGE-UHFFFAOYSA-N 2 1 277.456 3.268 20 30 CGEDMP CCCCCCNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000303871572 640845954 /nfs/dbraw/zinc/84/59/54/640845954.db2.gz BRZCGJAHGFSSMT-INIZCTEOSA-N 2 1 296.503 3.126 20 30 CGEDMP C=CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254513634 806434563 /nfs/dbraw/zinc/43/45/63/806434563.db2.gz DTUBSGZPYKBPCQ-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc[nH+]c(CC#N)c2)c1 ZINC001162909860 806684418 /nfs/dbraw/zinc/68/44/18/806684418.db2.gz ZQZQOVJIUQVPBO-GFCCVEGCSA-N 2 1 276.343 3.111 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716624123 800177730 /nfs/dbraw/zinc/17/77/30/800177730.db2.gz DKFIAUDUOLTHJC-YRPNKDGESA-N 2 1 296.458 3.287 20 30 CGEDMP CC(C)([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1 ZINC001256067122 806809858 /nfs/dbraw/zinc/80/98/58/806809858.db2.gz JKACODJVKLZASG-UHFFFAOYSA-N 2 1 283.419 3.010 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)CCC1 ZINC001120258480 802736751 /nfs/dbraw/zinc/73/67/51/802736751.db2.gz GPDSWFCRULPJPW-UHFFFAOYSA-N 2 1 289.467 3.316 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245995092 804095298 /nfs/dbraw/zinc/09/52/98/804095298.db2.gz SPACQGHZQYKDNO-ZACQAIPSSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246027830 804100787 /nfs/dbraw/zinc/10/07/87/804100787.db2.gz YTJUUYQXPPJDTN-KSZLIROESA-N 2 1 296.499 3.181 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001246048853 804104998 /nfs/dbraw/zinc/10/49/98/804104998.db2.gz NZXKEMXXJYRRFT-ROUUACIJSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246066803 804106728 /nfs/dbraw/zinc/10/67/28/804106728.db2.gz RSGJRXRMGPKENH-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246066803 804106731 /nfs/dbraw/zinc/10/67/31/804106731.db2.gz RSGJRXRMGPKENH-IAGOWNOFSA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCCC[C@@H](C)[NH2+][C@H](N)CCC[NH3+] ZINC001246299368 804266188 /nfs/dbraw/zinc/26/61/88/804266188.db2.gz HQSWBBTUNASOQI-CABCVRRESA-N 3 1 257.466 3.129 20 30 CGEDMP CCCCCCC[C@@H](CCC)N[C@H]([NH3+])CCC[NH3+] ZINC001246300148 804266348 /nfs/dbraw/zinc/26/63/48/804266348.db2.gz LVPCQUQMORYFDJ-CABCVRRESA-N 3 1 257.466 3.129 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC001246302234 804268249 /nfs/dbraw/zinc/26/82/49/804268249.db2.gz BZFOLQPMRQSRBD-JYJNAYRXSA-N 2 1 298.471 3.018 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246326932 804282032 /nfs/dbraw/zinc/28/20/32/804282032.db2.gz PUBWHJTWRMZPSY-DLBZAZTESA-N 2 1 270.420 3.119 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]CC[C@@H]3CC[NH2+]CC3(F)F)C[C@H](C1)C2 ZINC001246484778 804355602 /nfs/dbraw/zinc/35/56/02/804355602.db2.gz YSEPQZMDXDCLPT-QGPPMGRFSA-N 2 1 298.421 3.346 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001246507635 804364949 /nfs/dbraw/zinc/36/49/49/804364949.db2.gz ZLHUIPXQNXCFJM-HNNXBMFYSA-N 2 1 287.451 3.377 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541345 804391371 /nfs/dbraw/zinc/39/13/71/804391371.db2.gz GSJXXMUKFGRUEJ-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CC[C@H]1CC([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592958 804435050 /nfs/dbraw/zinc/43/50/50/804435050.db2.gz MIBKVYNUNGMRCR-ROUUACIJSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@H]1CC([N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](CC)[NH2+]1 ZINC001246592958 804435053 /nfs/dbraw/zinc/43/50/53/804435053.db2.gz MIBKVYNUNGMRCR-ROUUACIJSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1CC([N@@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246592948 804435615 /nfs/dbraw/zinc/43/56/15/804435615.db2.gz MIBKVYNUNGMRCR-QZTJIDSGSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1CC([N@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](CC)[NH2+]1 ZINC001246592948 804435619 /nfs/dbraw/zinc/43/56/19/804435619.db2.gz MIBKVYNUNGMRCR-QZTJIDSGSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCC[N@@H+](C)C1CCC2(C[NH2+]C2)CC1 ZINC001246773346 804504371 /nfs/dbraw/zinc/50/43/71/804504371.db2.gz BETODWNWPHFCBL-UHFFFAOYSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246838134 804546736 /nfs/dbraw/zinc/54/67/36/804546736.db2.gz BEDKJWIZWUVFEK-PIIMJCKOSA-N 2 1 270.420 3.348 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246842563 804550708 /nfs/dbraw/zinc/55/07/08/804550708.db2.gz ZAAGKFPSFNVBNM-SCAQPMJSSA-N 2 1 258.409 3.204 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246842563 804550712 /nfs/dbraw/zinc/55/07/12/804550712.db2.gz ZAAGKFPSFNVBNM-SCAQPMJSSA-N 2 1 258.409 3.204 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001258722767 807571364 /nfs/dbraw/zinc/57/13/64/807571364.db2.gz NAJWUJWNXKYJFF-HNNXBMFYSA-N 2 1 288.435 3.300 20 30 CGEDMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169108919 807577514 /nfs/dbraw/zinc/57/75/14/807577514.db2.gz WCDVXPBEFBMRJR-XMTFNYHQSA-N 2 1 283.419 3.224 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169725423 807699043 /nfs/dbraw/zinc/69/90/43/807699043.db2.gz GWYRLTLFFFQJGK-SFHVURJKSA-N 2 1 281.403 3.259 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001171191925 808005206 /nfs/dbraw/zinc/00/52/06/808005206.db2.gz IHSQPCQHOOFUMD-AXUOBQJMSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001171191925 808005214 /nfs/dbraw/zinc/00/52/14/808005214.db2.gz IHSQPCQHOOFUMD-AXUOBQJMSA-N 2 1 297.446 3.094 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001172108685 808176178 /nfs/dbraw/zinc/17/61/78/808176178.db2.gz YBTOADAJUIGSLS-RUGDWHBFSA-N 2 1 283.419 3.224 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001172108685 808176180 /nfs/dbraw/zinc/17/61/80/808176180.db2.gz YBTOADAJUIGSLS-RUGDWHBFSA-N 2 1 283.419 3.224 20 30 CGEDMP CCCCCCC[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001275126902 808912713 /nfs/dbraw/zinc/91/27/13/808912713.db2.gz RIKZOGUGTQZDSN-UHFFFAOYSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201839455 811969016 /nfs/dbraw/zinc/96/90/16/811969016.db2.gz DPCNCDUTVNODQY-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201839455 811969020 /nfs/dbraw/zinc/96/90/20/811969020.db2.gz DPCNCDUTVNODQY-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201839455 811969024 /nfs/dbraw/zinc/96/90/24/811969024.db2.gz DPCNCDUTVNODQY-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001202602399 812132945 /nfs/dbraw/zinc/13/29/45/812132945.db2.gz AGZAUUNQJREMQI-UHFFFAOYSA-N 2 1 298.352 3.059 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001202602399 812132950 /nfs/dbraw/zinc/13/29/50/812132950.db2.gz AGZAUUNQJREMQI-UHFFFAOYSA-N 2 1 298.352 3.059 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)CC1CCCCC1 ZINC001202604508 812134175 /nfs/dbraw/zinc/13/41/75/812134175.db2.gz XYNXDUPMLUOFMS-MRXNPFEDSA-N 2 1 264.457 3.138 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)CC1CCCCC1 ZINC001202604508 812134179 /nfs/dbraw/zinc/13/41/79/812134179.db2.gz XYNXDUPMLUOFMS-MRXNPFEDSA-N 2 1 264.457 3.138 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205304022 812942077 /nfs/dbraw/zinc/94/20/77/812942077.db2.gz MXWQCBKLRLHYJT-RDJZCZTQSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205616950 813027689 /nfs/dbraw/zinc/02/76/89/813027689.db2.gz HTDHPSUGOOFGMG-HOTGVXAUSA-N 2 1 288.435 3.058 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768724 813430405 /nfs/dbraw/zinc/43/04/05/813430405.db2.gz LVGAXQRGZJMZAT-CVEARBPZSA-N 2 1 288.435 3.201 20 30 CGEDMP N#Cc1ccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001208860951 813872033 /nfs/dbraw/zinc/87/20/33/813872033.db2.gz ZJPQMQYYHGKCGD-UHFFFAOYSA-N 2 1 297.446 3.051 20 30 CGEDMP N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951317 813906613 /nfs/dbraw/zinc/90/66/13/813906613.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951317 813906618 /nfs/dbraw/zinc/90/66/18/813906618.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951317 813906623 /nfs/dbraw/zinc/90/66/23/813906623.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951315 813909146 /nfs/dbraw/zinc/90/91/46/813909146.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951315 813909148 /nfs/dbraw/zinc/90/91/48/813909148.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 2 1 297.446 3.134 20 30 CGEDMP N#C[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951315 813909154 /nfs/dbraw/zinc/90/91/54/813909154.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209440125 814038146 /nfs/dbraw/zinc/03/81/46/814038146.db2.gz BPRPWBZPHCUTMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209440125 814038151 /nfs/dbraw/zinc/03/81/51/814038151.db2.gz BPRPWBZPHCUTMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001209440125 814038159 /nfs/dbraw/zinc/03/81/59/814038159.db2.gz BPRPWBZPHCUTMV-MRXNPFEDSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222309710 816404943 /nfs/dbraw/zinc/40/49/43/816404943.db2.gz QHPISAUAQDUHHV-INIZCTEOSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235009447 818978136 /nfs/dbraw/zinc/97/81/36/818978136.db2.gz ZYNSWLYGTCJGAW-GOSISDBHSA-N 2 1 294.483 3.215 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1C#N ZINC001235037137 818987046 /nfs/dbraw/zinc/98/70/46/818987046.db2.gz DZIRTDZOCXHVQF-IBGZPJMESA-N 2 1 297.446 3.229 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2CC#N)CC1 ZINC001235526467 819116380 /nfs/dbraw/zinc/11/63/80/819116380.db2.gz DJKHUQUDJSLZND-UHFFFAOYSA-N 2 1 299.462 3.449 20 30 CGEDMP CCCCCCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235934798 819230727 /nfs/dbraw/zinc/23/07/27/819230727.db2.gz CUKCRSKDOORWQE-UHFFFAOYSA-N 2 1 270.461 3.047 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)C[C@@H]2CC[NH2+]C2)CC1 ZINC001236407179 819454508 /nfs/dbraw/zinc/45/45/08/819454508.db2.gz CYESXQFQZQXUKT-IAGOWNOFSA-N 2 1 262.441 3.220 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473808 819492448 /nfs/dbraw/zinc/49/24/48/819492448.db2.gz GJZIFRDNGGEJOQ-GOSISDBHSA-N 2 1 285.435 3.077 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236473808 819492449 /nfs/dbraw/zinc/49/24/49/819492449.db2.gz GJZIFRDNGGEJOQ-GOSISDBHSA-N 2 1 285.435 3.077 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001461733277 937594566 /nfs/dbraw/zinc/59/45/66/937594566.db2.gz GZDWWUCQELVKTO-AWEZNQCLSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462661846 937657888 /nfs/dbraw/zinc/65/78/88/937657888.db2.gz CCDVLSVZWNDLPK-YHUYYLMFSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(=C)C)CC2)C1 ZINC000651700847 398271384 /nfs/dbraw/zinc/27/13/84/398271384.db2.gz WGHHCGJBMNYNHO-NVXWUHKLSA-N 2 1 262.441 3.361 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H](c2ccccc2)C1 ZINC000592376360 346980174 /nfs/dbraw/zinc/98/01/74/346980174.db2.gz FMFVPMMTCGPNLS-MSOLQXFVSA-N 2 1 299.462 3.251 20 30 CGEDMP C=C(C)C[NH+](CC)C/C=C\C[N@H+](CC)CC(=C)C ZINC000255006608 346396430 /nfs/dbraw/zinc/39/64/30/346396430.db2.gz LYNYJPXEALPWNA-KTKRTIGZSA-N 2 1 250.430 3.339 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000390808340 346574325 /nfs/dbraw/zinc/57/43/25/346574325.db2.gz OGNGSEFGTBHYJC-IPMKNSEASA-N 2 1 284.447 3.453 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081205 347279415 /nfs/dbraw/zinc/27/94/15/347279415.db2.gz QXKMJANEQILWQG-OAGGEKHMSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081205 347279417 /nfs/dbraw/zinc/27/94/17/347279417.db2.gz QXKMJANEQILWQG-OAGGEKHMSA-N 2 1 275.440 3.065 20 30 CGEDMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538407 /nfs/dbraw/zinc/53/84/07/347538407.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538409 /nfs/dbraw/zinc/53/84/09/347538409.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538411 /nfs/dbraw/zinc/53/84/11/347538411.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538427 /nfs/dbraw/zinc/53/84/27/347538427.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538428 /nfs/dbraw/zinc/53/84/28/347538428.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 2 1 297.446 3.014 20 30 CGEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538431 /nfs/dbraw/zinc/53/84/31/347538431.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982838 347703819 /nfs/dbraw/zinc/70/38/19/347703819.db2.gz QDIUJRKJEKGTEZ-WMZOPIPTSA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000602020093 347934252 /nfs/dbraw/zinc/93/42/52/347934252.db2.gz HYKQWYPEPRNDOW-GXTWGEPZSA-N 2 1 289.398 3.126 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602439147 347957919 /nfs/dbraw/zinc/95/79/19/347957919.db2.gz GXPJMLLLVZCZCW-INIZCTEOSA-N 2 1 279.472 3.370 20 30 CGEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451651 347960341 /nfs/dbraw/zinc/96/03/41/347960341.db2.gz RBKRFQKDYDDFSD-ROUUACIJSA-N 2 1 291.483 3.370 20 30 CGEDMP CC(C)[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000602511293 347972632 /nfs/dbraw/zinc/97/26/32/347972632.db2.gz PNNVGDXARXWEPA-ABHNRTSZSA-N 2 1 291.483 3.415 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000602512663 347973365 /nfs/dbraw/zinc/97/33/65/347973365.db2.gz LPUYLYHDTDAJLQ-MRXNPFEDSA-N 2 1 273.424 3.038 20 30 CGEDMP N#CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000602711925 348015815 /nfs/dbraw/zinc/01/58/15/348015815.db2.gz SJYIWBGMHCCVSA-UYSNPLJNSA-N 2 1 275.440 3.065 20 30 CGEDMP N#CC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000602711925 348015817 /nfs/dbraw/zinc/01/58/17/348015817.db2.gz SJYIWBGMHCCVSA-UYSNPLJNSA-N 2 1 275.440 3.065 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602764671 348025343 /nfs/dbraw/zinc/02/53/43/348025343.db2.gz GJRGWOVZBFDYHC-KRWDZBQOSA-N 2 1 289.467 3.124 20 30 CGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602764671 348025348 /nfs/dbraw/zinc/02/53/48/348025348.db2.gz GJRGWOVZBFDYHC-KRWDZBQOSA-N 2 1 289.467 3.124 20 30 CGEDMP C[NH+]1CCC2(CC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000602877302 348039770 /nfs/dbraw/zinc/03/97/70/348039770.db2.gz FRIHMYWEBUVWKN-UHFFFAOYSA-N 2 1 277.456 3.124 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624123058 349982120 /nfs/dbraw/zinc/98/21/20/349982120.db2.gz DXKDKDBATYFXNN-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000613254693 348581260 /nfs/dbraw/zinc/58/12/60/348581260.db2.gz RAAIMIYNDMUOOQ-YESZJQIVSA-N 2 1 277.456 3.313 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000613254693 348581262 /nfs/dbraw/zinc/58/12/62/348581262.db2.gz RAAIMIYNDMUOOQ-YESZJQIVSA-N 2 1 277.456 3.313 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000152965403 188055809 /nfs/dbraw/zinc/05/58/09/188055809.db2.gz GKRILOFMKIQFIR-CYBMUJFWSA-N 2 1 264.438 3.439 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699832 189304272 /nfs/dbraw/zinc/30/42/72/189304272.db2.gz MYUFMWTXMDHLHQ-DOTOQJQBSA-N 2 1 285.435 3.329 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC000439093183 372974289 /nfs/dbraw/zinc/97/42/89/372974289.db2.gz ZTFILSKGCKNSPU-IAGOWNOFSA-N 2 1 264.457 3.441 20 30 CGEDMP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000442723062 373069917 /nfs/dbraw/zinc/06/99/17/373069917.db2.gz WQPKCWLXQSRZDL-YESZJQIVSA-N 2 1 277.456 3.025 20 30 CGEDMP CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC000449077716 373660643 /nfs/dbraw/zinc/66/06/43/373660643.db2.gz SQUALMOLPCSOOL-CGZBRXJRSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376385384 296225437 /nfs/dbraw/zinc/22/54/37/296225437.db2.gz MCJXDFKMRGUMTI-INIZCTEOSA-N 2 1 297.446 3.427 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000480704030 375160876 /nfs/dbraw/zinc/16/08/76/375160876.db2.gz YVGXXVBTZHSOTG-HRCADAONSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000193401771 375873125 /nfs/dbraw/zinc/87/31/25/375873125.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000193401771 375873129 /nfs/dbraw/zinc/87/31/29/375873129.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000193401771 375873134 /nfs/dbraw/zinc/87/31/34/375873134.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538148873 376223318 /nfs/dbraw/zinc/22/33/18/376223318.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538148873 376223326 /nfs/dbraw/zinc/22/33/26/376223326.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538148873 376223329 /nfs/dbraw/zinc/22/33/29/376223329.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 2 1 250.430 3.147 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246489866 377041031 /nfs/dbraw/zinc/04/10/31/377041031.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246489866 377041038 /nfs/dbraw/zinc/04/10/38/377041038.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246489866 377041041 /nfs/dbraw/zinc/04/10/41/377041041.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246489866 377041051 /nfs/dbraw/zinc/04/10/51/377041051.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 2 1 295.430 3.007 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000568289155 377517991 /nfs/dbraw/zinc/51/79/91/377517991.db2.gz CGZQXONMOQUSJV-UHFFFAOYSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000568289155 377517999 /nfs/dbraw/zinc/51/79/99/377517999.db2.gz CGZQXONMOQUSJV-UHFFFAOYSA-N 2 1 283.419 3.083 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1 ZINC000568168403 377513544 /nfs/dbraw/zinc/51/35/44/377513544.db2.gz GYCOSMYCYCIZRM-UHFFFAOYSA-N 2 1 299.418 3.050 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1 ZINC000568168403 377513557 /nfs/dbraw/zinc/51/35/57/377513557.db2.gz GYCOSMYCYCIZRM-UHFFFAOYSA-N 2 1 299.418 3.050 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861702 378909013 /nfs/dbraw/zinc/90/90/13/378909013.db2.gz ULSLUSYGDNMWGU-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274861702 378909018 /nfs/dbraw/zinc/90/90/18/378909018.db2.gz ULSLUSYGDNMWGU-FUHWJXTLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278937843 194220392 /nfs/dbraw/zinc/22/03/92/194220392.db2.gz UDEZBESZXDDNGC-UHFFFAOYSA-N 2 1 273.424 3.365 20 30 CGEDMP C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000375405558 379496920 /nfs/dbraw/zinc/49/69/20/379496920.db2.gz PUBKJWAYFJNUHH-CVEARBPZSA-N 2 1 288.439 3.486 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757912 379573099 /nfs/dbraw/zinc/57/30/99/379573099.db2.gz QCHMKJRKOGIYKA-OAHLLOKOSA-N 2 1 250.430 3.149 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281390731 195222060 /nfs/dbraw/zinc/22/20/60/195222060.db2.gz PSSTVWZQWGAKPK-HNNXBMFYSA-N 2 1 271.408 3.037 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281390731 195222063 /nfs/dbraw/zinc/22/20/63/195222063.db2.gz PSSTVWZQWGAKPK-HNNXBMFYSA-N 2 1 271.408 3.037 20 30 CGEDMP C=CCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339025267 392941941 /nfs/dbraw/zinc/94/19/41/392941941.db2.gz CVKLJWPJBSTDKY-KRWDZBQOSA-N 2 1 294.483 3.166 20 30 CGEDMP C=C(C)[C@@H](CO)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000649407958 393414422 /nfs/dbraw/zinc/41/44/22/393414422.db2.gz YRYIGCXVQYLYSQ-GOSISDBHSA-N 2 1 296.499 3.003 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522858 /nfs/dbraw/zinc/52/28/58/393522858.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522861 /nfs/dbraw/zinc/52/28/61/393522861.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522864 /nfs/dbraw/zinc/52/28/64/393522864.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522868 /nfs/dbraw/zinc/52/28/68/393522868.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 2 1 285.435 3.171 20 30 CGEDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000453412559 394239073 /nfs/dbraw/zinc/23/90/73/394239073.db2.gz VZVNDBYDKQHOMO-ZDUSSCGKSA-N 2 1 289.398 3.222 20 30 CGEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250175 419092127 /nfs/dbraw/zinc/09/21/27/419092127.db2.gz JHQAXRAAEOLGOO-JOCBIADPSA-N 2 1 272.436 3.322 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251601 419094434 /nfs/dbraw/zinc/09/44/34/419094434.db2.gz UFLKIQFHPXCTAM-DJIMGWMZSA-N 2 1 258.409 3.076 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661380441 419255366 /nfs/dbraw/zinc/25/53/66/419255366.db2.gz HCXZUBQTUTYXOT-MRXNPFEDSA-N 2 1 261.413 3.260 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000661380441 419255367 /nfs/dbraw/zinc/25/53/67/419255367.db2.gz HCXZUBQTUTYXOT-MRXNPFEDSA-N 2 1 261.413 3.260 20 30 CGEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678488 260002411 /nfs/dbraw/zinc/00/24/11/260002411.db2.gz WZEBMISRSPLGNK-OALUTQOASA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131161 260237081 /nfs/dbraw/zinc/23/70/81/260237081.db2.gz KKUIZDGQNXPTSM-QGZVFWFLSA-N 2 1 294.483 3.356 20 30 CGEDMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375517 263121067 /nfs/dbraw/zinc/12/10/67/263121067.db2.gz JNCSEUKNNPCGRZ-SJORKVTESA-N 2 1 283.419 3.105 20 30 CGEDMP C[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375517 263121068 /nfs/dbraw/zinc/12/10/68/263121068.db2.gz JNCSEUKNNPCGRZ-SJORKVTESA-N 2 1 283.419 3.105 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000183147611 327817823 /nfs/dbraw/zinc/81/78/23/327817823.db2.gz FUWMIIOWMPMMDO-ZDUSSCGKSA-N 2 1 268.364 3.135 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000424316240 330339499 /nfs/dbraw/zinc/33/94/99/330339499.db2.gz AWKMAGOGRLSUBO-XOYOTBSWSA-N 2 1 283.419 3.104 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000424316240 330339500 /nfs/dbraw/zinc/33/95/00/330339500.db2.gz AWKMAGOGRLSUBO-XOYOTBSWSA-N 2 1 283.419 3.104 20 30 CGEDMP C=C[C@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C=C ZINC000489481967 332055323 /nfs/dbraw/zinc/05/53/23/332055323.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1C=C ZINC000489481967 332055324 /nfs/dbraw/zinc/05/53/24/332055324.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1C=C ZINC000489481967 332055327 /nfs/dbraw/zinc/05/53/27/332055327.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1C=C ZINC000489481967 332055329 /nfs/dbraw/zinc/05/53/29/332055329.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC[C@H]1C=C ZINC000489481967 332055330 /nfs/dbraw/zinc/05/53/30/332055330.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC[C@H]1C=C ZINC000489481967 332055332 /nfs/dbraw/zinc/05/53/32/332055332.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000502291168 332652791 /nfs/dbraw/zinc/65/27/91/332652791.db2.gz UDGXSBWTNWKBCJ-USXIJHARSA-N 2 1 262.441 3.195 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174273438 335151874 /nfs/dbraw/zinc/15/18/74/335151874.db2.gz JFZXTVRECNHRCF-IYBDPMFKSA-N 2 1 279.472 3.274 20 30 CGEDMP C[C@H]1CCC[C@](C[NH2+]CC(C)(C)CCC#N)([NH+](C)C)C1 ZINC000135160706 334118518 /nfs/dbraw/zinc/11/85/18/334118518.db2.gz AMLMKSFHAWYSTF-RDJZCZTQSA-N 2 1 279.472 3.416 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248413230 334300841 /nfs/dbraw/zinc/30/08/41/334300841.db2.gz LBKWXSMZWFVPFN-IPMKNSEASA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000358571187 534126191 /nfs/dbraw/zinc/12/61/91/534126191.db2.gz OOJIMSBESPKXAI-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924765369 620731200 /nfs/dbraw/zinc/73/12/00/620731200.db2.gz LTODGBKCCLPHIS-QLFBSQMISA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924765369 620731204 /nfs/dbraw/zinc/73/12/04/620731204.db2.gz LTODGBKCCLPHIS-QLFBSQMISA-N 2 1 265.445 3.025 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897969105 620458976 /nfs/dbraw/zinc/45/89/76/620458976.db2.gz DVJXXCNHYWXOOU-GVDBMIGSSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897969105 620458979 /nfs/dbraw/zinc/45/89/79/620458979.db2.gz DVJXXCNHYWXOOU-GVDBMIGSSA-N 2 1 284.488 3.170 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924688215 620563632 /nfs/dbraw/zinc/56/36/32/620563632.db2.gz RQYDOSCGXULJON-JKSUJKDBSA-N 2 1 279.472 3.416 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000788479013 629057458 /nfs/dbraw/zinc/05/74/58/629057458.db2.gz MJZNYJJYPVUYDF-UHFFFAOYSA-N 2 1 288.435 3.025 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809605931 630760145 /nfs/dbraw/zinc/76/01/45/630760145.db2.gz KAPRKCHMQXXPBH-KRWDZBQOSA-N 2 1 284.447 3.270 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000815651906 631813268 /nfs/dbraw/zinc/81/32/68/631813268.db2.gz IOCKIYYTILFGGQ-QZTJIDSGSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000815651906 631813271 /nfs/dbraw/zinc/81/32/71/631813271.db2.gz IOCKIYYTILFGGQ-QZTJIDSGSA-N 2 1 284.447 3.113 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1SCC ZINC000815652547 631814320 /nfs/dbraw/zinc/81/43/20/631814320.db2.gz HSFXHYUKAJXQCP-OAHLLOKOSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1SCC ZINC000815652547 631814322 /nfs/dbraw/zinc/81/43/22/631814322.db2.gz HSFXHYUKAJXQCP-OAHLLOKOSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000820846930 632687104 /nfs/dbraw/zinc/68/71/04/632687104.db2.gz NLNPVHGAGGMDOF-SFHVURJKSA-N 2 1 272.436 3.115 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000820846930 632687106 /nfs/dbraw/zinc/68/71/06/632687106.db2.gz NLNPVHGAGGMDOF-SFHVURJKSA-N 2 1 272.436 3.115 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850908 633158295 /nfs/dbraw/zinc/15/82/95/633158295.db2.gz GCLZBRJPDWRYCN-WMZOPIPTSA-N 2 1 294.483 3.354 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000876757734 634893973 /nfs/dbraw/zinc/89/39/73/634893973.db2.gz FTNVLQRIVNCAAL-DLBZAZTESA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000876757734 634893977 /nfs/dbraw/zinc/89/39/77/634893977.db2.gz FTNVLQRIVNCAAL-DLBZAZTESA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000876757734 634893978 /nfs/dbraw/zinc/89/39/78/634893978.db2.gz FTNVLQRIVNCAAL-DLBZAZTESA-N 2 1 264.457 3.375 20 30 CGEDMP C#CCCCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878412546 635496624 /nfs/dbraw/zinc/49/66/24/635496624.db2.gz VUDROGUJQROQIM-IRXDYDNUSA-N 2 1 276.468 3.423 20 30 CGEDMP C=CCCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848550722 636602383 /nfs/dbraw/zinc/60/23/83/636602383.db2.gz VJWVGFYEJPZHMT-SFHVURJKSA-N 2 1 294.483 3.356 20 30 CGEDMP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000886719737 637671889 /nfs/dbraw/zinc/67/18/89/637671889.db2.gz GBGHLRAWRSEOJF-UHFFFAOYSA-N 2 1 297.446 3.051 20 30 CGEDMP C=C1CCC(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000926927167 638826659 /nfs/dbraw/zinc/82/66/59/638826659.db2.gz OXUGYNLELWCOQW-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP N#CC1(CCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000929696991 638942439 /nfs/dbraw/zinc/94/24/39/638942439.db2.gz PPKBXXHQGCPXQS-QGZVFWFLSA-N 2 1 289.467 3.268 20 30 CGEDMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668802 806479422 /nfs/dbraw/zinc/47/94/22/806479422.db2.gz LFNKVWYLIJXAML-IEBWSBKVSA-N 2 1 297.446 3.275 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668802 806479427 /nfs/dbraw/zinc/47/94/27/806479427.db2.gz LFNKVWYLIJXAML-IEBWSBKVSA-N 2 1 297.446 3.275 20 30 CGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001162562725 806619865 /nfs/dbraw/zinc/61/98/65/806619865.db2.gz MMFUNEIZYTZSPB-GPMSIDNRSA-N 2 1 299.462 3.419 20 30 CGEDMP C#C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255406067 806634974 /nfs/dbraw/zinc/63/49/74/806634974.db2.gz OZIOWKPEONTLIV-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255406067 806634979 /nfs/dbraw/zinc/63/49/79/806634979.db2.gz OZIOWKPEONTLIV-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP C#C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406067 806634985 /nfs/dbraw/zinc/63/49/85/806634985.db2.gz OZIOWKPEONTLIV-AZUAARDMSA-N 2 1 296.458 3.386 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000695862740 799836653 /nfs/dbraw/zinc/83/66/53/799836653.db2.gz GJNVBTVRUFOVGO-WMZOPIPTSA-N 2 1 299.462 3.426 20 30 CGEDMP C=CC[C@H]1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000703657478 799926762 /nfs/dbraw/zinc/92/67/62/799926762.db2.gz YHBJJISDKWPERV-ZDUSSCGKSA-N 2 1 276.449 3.182 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721305 800178852 /nfs/dbraw/zinc/17/88/52/800178852.db2.gz ZXZINZVTJHSOKR-MANSERQUSA-N 2 1 282.431 3.041 20 30 CGEDMP Cc1c(C)n(-c2cc[nH+]c(CC#N)c2)c2ccc(C[NH3+])cc12 ZINC001163761753 806819145 /nfs/dbraw/zinc/81/91/45/806819145.db2.gz LRASQXUNMVAXFB-UHFFFAOYSA-N 2 1 290.370 3.167 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245980197 804093105 /nfs/dbraw/zinc/09/31/05/804093105.db2.gz HBLIWQKKFUDELW-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001246013338 804097318 /nfs/dbraw/zinc/09/73/18/804097318.db2.gz FQOLQYMFTJKTLH-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001246013338 804097324 /nfs/dbraw/zinc/09/73/24/804097324.db2.gz FQOLQYMFTJKTLH-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019482 804099601 /nfs/dbraw/zinc/09/96/01/804099601.db2.gz IKOAAVLQURXVOC-SQNIBIBYSA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246058858 804105112 /nfs/dbraw/zinc/10/51/12/804105112.db2.gz GVZZQRWVBVFBBV-OKZBNKHCSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246241602 804234087 /nfs/dbraw/zinc/23/40/87/804234087.db2.gz TVBBWFOVAGKVGF-CABCVRRESA-N 2 1 258.450 3.079 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246283416 804259129 /nfs/dbraw/zinc/25/91/29/804259129.db2.gz BQTNKWLHIZIEDR-DOTOQJQBSA-N 2 1 276.399 3.483 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246335193 804289906 /nfs/dbraw/zinc/28/99/06/804289906.db2.gz HBYRPOTWTTYXEV-GDBMZVCRSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246495608 804361319 /nfs/dbraw/zinc/36/13/19/804361319.db2.gz KSBPZHXZLFQWDQ-ROUUACIJSA-N 2 1 297.531 3.447 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246551978 804402696 /nfs/dbraw/zinc/40/26/96/804402696.db2.gz OBJQYUWGQSHGTM-ILUDGRTOSA-N 2 1 262.441 3.038 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246588956 804431935 /nfs/dbraw/zinc/43/19/35/804431935.db2.gz YFQVDJZCXQRFDP-YESZJQIVSA-N 2 1 284.488 3.013 20 30 CGEDMP CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246632683 804462250 /nfs/dbraw/zinc/46/22/50/804462250.db2.gz WSFGKAFVWICOIS-QZTJIDSGSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246769481 804502571 /nfs/dbraw/zinc/50/25/71/804502571.db2.gz KWMCGWJVKYNTAS-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246825173 804536612 /nfs/dbraw/zinc/53/66/12/804536612.db2.gz RJPHVQFDMYAKPP-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001246825173 804536615 /nfs/dbraw/zinc/53/66/15/804536615.db2.gz RJPHVQFDMYAKPP-CVEARBPZSA-N 2 1 270.461 3.175 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256968613 807019020 /nfs/dbraw/zinc/01/90/20/807019020.db2.gz IVBNDMPLHSDNKE-UHFFFAOYSA-N 2 1 277.456 3.121 20 30 CGEDMP C=CC[N@@H+](C1CCC2(CC[NH2+]C2)CC1)C(C)(C)C ZINC001246921900 804602505 /nfs/dbraw/zinc/60/25/05/804602505.db2.gz TYVJRFRBQGMHAQ-UHFFFAOYSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCn4c(C)ncc4C3)C[C@H](C1)C2 ZINC001257891079 807241462 /nfs/dbraw/zinc/24/14/62/807241462.db2.gz CXCIBYXYKKYYHM-XYPWUTKMSA-N 2 1 271.408 3.142 20 30 CGEDMP C#CCCCCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001169782227 807707650 /nfs/dbraw/zinc/70/76/50/807707650.db2.gz XLGQYKKGZOHSHK-UHFFFAOYSA-N 2 1 276.468 3.378 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@H+](CC[NH3+])CCO ZINC001173308543 808604904 /nfs/dbraw/zinc/60/49/04/808604904.db2.gz AVCNTMSIXZBLGL-INIZCTEOSA-N 2 1 272.477 3.159 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@@H+](CC[NH3+])CCO ZINC001173308543 808604908 /nfs/dbraw/zinc/60/49/08/808604908.db2.gz AVCNTMSIXZBLGL-INIZCTEOSA-N 2 1 272.477 3.159 20 30 CGEDMP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC001173319582 808610273 /nfs/dbraw/zinc/61/02/73/808610273.db2.gz NCNRPMFNWITSBW-FCCDEINASA-N 2 1 294.483 3.209 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001200127661 811640436 /nfs/dbraw/zinc/64/04/36/811640436.db2.gz YCSMTGUEPSYCNG-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201815190 811967424 /nfs/dbraw/zinc/96/74/24/811967424.db2.gz YQNGFJUOWWCKTR-CVEARBPZSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201815190 811967429 /nfs/dbraw/zinc/96/74/29/811967429.db2.gz YQNGFJUOWWCKTR-CVEARBPZSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201815190 811967431 /nfs/dbraw/zinc/96/74/31/811967431.db2.gz YQNGFJUOWWCKTR-CVEARBPZSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001201840198 811969653 /nfs/dbraw/zinc/96/96/53/811969653.db2.gz OSMGGCMHCAOFLO-HOTGVXAUSA-N 2 1 252.446 3.373 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206153703 813215344 /nfs/dbraw/zinc/21/53/44/813215344.db2.gz FCSZQBGTICSKNB-LSDHHAIUSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153703 813215351 /nfs/dbraw/zinc/21/53/51/813215351.db2.gz FCSZQBGTICSKNB-LSDHHAIUSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153703 813215359 /nfs/dbraw/zinc/21/53/59/813215359.db2.gz FCSZQBGTICSKNB-LSDHHAIUSA-N 2 1 258.425 3.498 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001206573784 813359775 /nfs/dbraw/zinc/35/97/75/813359775.db2.gz NZTYAKHWYRVVKY-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001206573784 813359784 /nfs/dbraw/zinc/35/97/84/813359784.db2.gz NZTYAKHWYRVVKY-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209164182 813955191 /nfs/dbraw/zinc/95/51/91/813955191.db2.gz UINCKMVOFJTCSV-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164182 813955196 /nfs/dbraw/zinc/95/51/96/813955196.db2.gz UINCKMVOFJTCSV-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209164182 813955200 /nfs/dbraw/zinc/95/52/00/813955200.db2.gz UINCKMVOFJTCSV-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209429089 814030801 /nfs/dbraw/zinc/03/08/01/814030801.db2.gz SRILSPXPILWNPP-UHFFFAOYSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209433191 814033922 /nfs/dbraw/zinc/03/39/22/814033922.db2.gz RGZNOSCJARSIAR-UHFFFAOYSA-N 2 1 250.430 3.291 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025224 818980121 /nfs/dbraw/zinc/98/01/21/818980121.db2.gz YAHROZKWAMATMS-CMDGGOBGSA-N 2 1 250.430 3.198 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025224 818980127 /nfs/dbraw/zinc/98/01/27/818980127.db2.gz YAHROZKWAMATMS-CMDGGOBGSA-N 2 1 250.430 3.198 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001235094059 819000197 /nfs/dbraw/zinc/00/01/97/819000197.db2.gz XUJXVLSAVJVIFI-QGZVFWFLSA-N 2 1 274.452 3.365 20 30 CGEDMP N#CCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235664288 819131971 /nfs/dbraw/zinc/13/19/71/819131971.db2.gz QCVHVMIVPFJIGF-INIZCTEOSA-N 2 1 277.456 3.315 20 30 CGEDMP N#CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCCCC1 ZINC001235664288 819131976 /nfs/dbraw/zinc/13/19/76/819131976.db2.gz QCVHVMIVPFJIGF-INIZCTEOSA-N 2 1 277.456 3.315 20 30 CGEDMP C=CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001235701397 819145829 /nfs/dbraw/zinc/14/58/29/819145829.db2.gz AVMPZZZVSMFTJS-UHFFFAOYSA-N 2 1 272.436 3.454 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058815 819292700 /nfs/dbraw/zinc/29/27/00/819292700.db2.gz CAPRENCWBLAKBX-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058815 819292706 /nfs/dbraw/zinc/29/27/06/819292706.db2.gz CAPRENCWBLAKBX-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433661 819476768 /nfs/dbraw/zinc/47/67/68/819476768.db2.gz GQZQJXNHMDGEIT-HNNXBMFYSA-N 2 1 258.425 3.500 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433661 819476770 /nfs/dbraw/zinc/47/67/70/819476770.db2.gz GQZQJXNHMDGEIT-HNNXBMFYSA-N 2 1 258.425 3.500 20 30 CGEDMP C=CCc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236467395 819488892 /nfs/dbraw/zinc/48/88/92/819488892.db2.gz CVDGIVDPMGSARS-QGZVFWFLSA-N 2 1 288.435 3.083 20 30 CGEDMP C=CCc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236467395 819488896 /nfs/dbraw/zinc/48/88/96/819488896.db2.gz CVDGIVDPMGSARS-QGZVFWFLSA-N 2 1 288.435 3.083 20 30 CGEDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505016 936265605 /nfs/dbraw/zinc/26/56/05/936265605.db2.gz YPNFHEJTSUYZPI-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505016 936265609 /nfs/dbraw/zinc/26/56/09/936265609.db2.gz YPNFHEJTSUYZPI-ZFWWWQNUSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+](C(C)C)C(C)C)C1 ZINC001560245879 938249144 /nfs/dbraw/zinc/24/91/44/938249144.db2.gz VZYNQCIDJMSIBE-HZPDHXFCSA-N 2 1 252.446 3.440 20 30 CGEDMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000601996925 347931856 /nfs/dbraw/zinc/93/18/56/347931856.db2.gz JXEBFFDTJYRNCH-UHFFFAOYSA-N 2 1 297.377 3.049 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602564641 347983586 /nfs/dbraw/zinc/98/35/86/347983586.db2.gz VJMJYYQYSJXWED-ZHALLVOQSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602564641 347983588 /nfs/dbraw/zinc/98/35/88/347983588.db2.gz VJMJYYQYSJXWED-ZHALLVOQSA-N 2 1 299.462 3.426 20 30 CGEDMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C#N)CC1 ZINC000602673611 348006762 /nfs/dbraw/zinc/00/67/62/348006762.db2.gz LKTPBKNTJQHSMI-JCYILVPMSA-N 2 1 277.456 3.169 20 30 CGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602764672 348025635 /nfs/dbraw/zinc/02/56/35/348025635.db2.gz GJRGWOVZBFDYHC-QGZVFWFLSA-N 2 1 289.467 3.124 20 30 CGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602764672 348025636 /nfs/dbraw/zinc/02/56/36/348025636.db2.gz GJRGWOVZBFDYHC-QGZVFWFLSA-N 2 1 289.467 3.124 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876667 348040278 /nfs/dbraw/zinc/04/02/78/348040278.db2.gz IMSIHUCZGXSEPI-HNNXBMFYSA-N 2 1 283.419 3.037 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000609133419 348336944 /nfs/dbraw/zinc/33/69/44/348336944.db2.gz APCKLXYMICEYQH-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609823361 348354158 /nfs/dbraw/zinc/35/41/58/348354158.db2.gz ADUIIVMRIZFAAX-PBHICJAKSA-N 2 1 280.375 3.153 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000618888402 349176490 /nfs/dbraw/zinc/17/64/90/349176490.db2.gz XHXDUJVUURFBNP-OWCLPIDISA-N 2 1 277.456 3.169 20 30 CGEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271472226 191156671 /nfs/dbraw/zinc/15/66/71/191156671.db2.gz MAIZRCXWBRWJIR-HNNXBMFYSA-N 2 1 290.426 3.387 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271542956 191203151 /nfs/dbraw/zinc/20/31/51/191203151.db2.gz UPRQZDLWWGZWQW-HKUYNNGSSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271542956 191203154 /nfs/dbraw/zinc/20/31/54/191203154.db2.gz UPRQZDLWWGZWQW-HKUYNNGSSA-N 2 1 284.447 3.290 20 30 CGEDMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000341965076 216169466 /nfs/dbraw/zinc/16/94/66/216169466.db2.gz HRZGWLQDDVOBHT-UHFFFAOYSA-N 2 1 294.402 3.122 20 30 CGEDMP N#CCC[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664773 370063195 /nfs/dbraw/zinc/06/31/95/370063195.db2.gz YSKCGWHQUKCFGC-KZNAEPCWSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664773 370063199 /nfs/dbraw/zinc/06/31/99/370063199.db2.gz YSKCGWHQUKCFGC-KZNAEPCWSA-N 2 1 283.419 3.248 20 30 CGEDMP C=C(Cl)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820878 370104184 /nfs/dbraw/zinc/10/41/84/370104184.db2.gz QARPZBYFPDWFSN-UHFFFAOYSA-N 2 1 293.842 3.372 20 30 CGEDMP C=CCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000130562784 371042302 /nfs/dbraw/zinc/04/23/02/371042302.db2.gz LVXPQJCEBRQYFD-JYJNAYRXSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159273011 372125772 /nfs/dbraw/zinc/12/57/72/372125772.db2.gz VJOGCYMZOWDWCQ-MSOLQXFVSA-N 2 1 270.420 3.159 20 30 CGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335052162 375092993 /nfs/dbraw/zinc/09/29/93/375092993.db2.gz IAEVIZYZMYPPEV-IBGZPJMESA-N 2 1 295.430 3.152 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538148874 376223155 /nfs/dbraw/zinc/22/31/55/376223155.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538148874 376223162 /nfs/dbraw/zinc/22/31/62/376223162.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 2 1 250.430 3.147 20 30 CGEDMP C=CCCC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538148874 376223170 /nfs/dbraw/zinc/22/31/70/376223170.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 2 1 250.430 3.147 20 30 CGEDMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161270 /nfs/dbraw/zinc/16/12/70/377161270.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161280 /nfs/dbraw/zinc/16/12/80/377161280.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161290 /nfs/dbraw/zinc/16/12/90/377161290.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 2 1 285.435 3.425 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000248626499 377368854 /nfs/dbraw/zinc/36/88/54/377368854.db2.gz FVWFQJRUZQVUML-BFYDXBDKSA-N 2 1 264.457 3.441 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000271708789 378500842 /nfs/dbraw/zinc/50/08/42/378500842.db2.gz NYPSULPUBYAKHV-KRWDZBQOSA-N 2 1 271.408 3.105 20 30 CGEDMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271963445 378531866 /nfs/dbraw/zinc/53/18/66/378531866.db2.gz UVLATAHSHYTPKY-CQSZACIVSA-N 2 1 289.398 3.224 20 30 CGEDMP C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346982255 378702285 /nfs/dbraw/zinc/70/22/85/378702285.db2.gz NSPFRYQFFVRHOR-MRXNPFEDSA-N 2 1 250.430 3.054 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638524019 378826036 /nfs/dbraw/zinc/82/60/36/378826036.db2.gz IHZJKLQKGZRVOG-UHFFFAOYSA-N 2 1 288.435 3.084 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638524666 378826533 /nfs/dbraw/zinc/82/65/33/378826533.db2.gz QNMXIXGWYIMRBI-MRXNPFEDSA-N 2 1 284.447 3.032 20 30 CGEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000409446912 380038346 /nfs/dbraw/zinc/03/83/46/380038346.db2.gz ZJKRRUHRPAEOGR-QGZVFWFLSA-N 2 1 291.483 3.370 20 30 CGEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446912 380038349 /nfs/dbraw/zinc/03/83/49/380038349.db2.gz ZJKRRUHRPAEOGR-QGZVFWFLSA-N 2 1 291.483 3.370 20 30 CGEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446912 380038356 /nfs/dbraw/zinc/03/83/56/380038356.db2.gz ZJKRRUHRPAEOGR-QGZVFWFLSA-N 2 1 291.483 3.370 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCN1C ZINC000411329973 380141456 /nfs/dbraw/zinc/14/14/56/380141456.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329973 380141464 /nfs/dbraw/zinc/14/14/64/380141464.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H](N(C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329973 380141469 /nfs/dbraw/zinc/14/14/69/380141469.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000411329973 380141474 /nfs/dbraw/zinc/14/14/74/380141474.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([NH+](C)CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411329973 380141476 /nfs/dbraw/zinc/14/14/76/380141476.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329973 380141478 /nfs/dbraw/zinc/14/14/78/380141478.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)CC[NH+]1C ZINC000411329973 380141480 /nfs/dbraw/zinc/14/14/80/380141480.db2.gz LIBWFDRCLXAXKZ-JKSUJKDBSA-N 2 1 277.456 3.265 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@H]2C[C@H]2C)CC1 ZINC000414126562 380192254 /nfs/dbraw/zinc/19/22/54/380192254.db2.gz RMQMXCOSEFKONP-VNQPRFMTSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358326223 381303582 /nfs/dbraw/zinc/30/35/82/381303582.db2.gz ZMKYBUVKBCVUMD-ZOBUZTSGSA-N 2 1 258.409 3.204 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358326223 381303589 /nfs/dbraw/zinc/30/35/89/381303589.db2.gz ZMKYBUVKBCVUMD-ZOBUZTSGSA-N 2 1 258.409 3.204 20 30 CGEDMP C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366866307 382322045 /nfs/dbraw/zinc/32/20/45/382322045.db2.gz AWLQWRKMNQJGQS-WMZOPIPTSA-N 2 1 297.446 3.180 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836285 392338623 /nfs/dbraw/zinc/33/86/23/392338623.db2.gz DZLPJSBHDGFVRJ-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836285 392338628 /nfs/dbraw/zinc/33/86/28/392338628.db2.gz DZLPJSBHDGFVRJ-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836285 392338631 /nfs/dbraw/zinc/33/86/31/392338631.db2.gz DZLPJSBHDGFVRJ-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836285 392338635 /nfs/dbraw/zinc/33/86/35/392338635.db2.gz DZLPJSBHDGFVRJ-XJKSGUPXSA-N 2 1 289.398 3.002 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430342 393222622 /nfs/dbraw/zinc/22/26/22/393222622.db2.gz WIXQGEQWKACWAD-QFBILLFUSA-N 2 1 297.446 3.256 20 30 CGEDMP C=CC[N@H+](Cc1cnc(C)n1C)CC1CCCCC1 ZINC000667630358 542900503 /nfs/dbraw/zinc/90/05/03/542900503.db2.gz AYVUIAJBWNGTHJ-UHFFFAOYSA-N 2 1 261.413 3.297 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694677 543118742 /nfs/dbraw/zinc/11/87/42/543118742.db2.gz DCHVLGXFJFFXTC-CVEARBPZSA-N 2 1 285.435 3.201 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694677 543118745 /nfs/dbraw/zinc/11/87/45/543118745.db2.gz DCHVLGXFJFFXTC-CVEARBPZSA-N 2 1 285.435 3.201 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678698230 543549926 /nfs/dbraw/zinc/54/99/26/543549926.db2.gz NJUFRHCJAXQUPZ-JYJNAYRXSA-N 2 1 250.430 3.338 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335111459 287130892 /nfs/dbraw/zinc/13/08/92/287130892.db2.gz PYPRQSAJWAOELW-HNNXBMFYSA-N 2 1 283.419 3.179 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335111459 287130893 /nfs/dbraw/zinc/13/08/93/287130893.db2.gz PYPRQSAJWAOELW-HNNXBMFYSA-N 2 1 283.419 3.179 20 30 CGEDMP N#CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000343524138 224785409 /nfs/dbraw/zinc/78/54/09/224785409.db2.gz ISTPLEAJPJKAAJ-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP N#CCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000343524138 224785412 /nfs/dbraw/zinc/78/54/12/224785412.db2.gz ISTPLEAJPJKAAJ-IBGZPJMESA-N 2 1 297.446 3.060 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228376 419684542 /nfs/dbraw/zinc/68/45/42/419684542.db2.gz IIWUWWGJUFCIBH-LSDHHAIUSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228376 419684552 /nfs/dbraw/zinc/68/45/52/419684552.db2.gz IIWUWWGJUFCIBH-LSDHHAIUSA-N 2 1 250.430 3.338 20 30 CGEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678489 260002493 /nfs/dbraw/zinc/00/24/93/260002493.db2.gz WZEBMISRSPLGNK-RBUKOAKNSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000057994186 262350531 /nfs/dbraw/zinc/35/05/31/262350531.db2.gz IVBFQEJHLUQNQT-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414687802 263032610 /nfs/dbraw/zinc/03/26/10/263032610.db2.gz IFLXBUHDKLETKW-AEFFLSMTSA-N 2 1 272.436 3.105 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130639980 264359612 /nfs/dbraw/zinc/35/96/12/264359612.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000130639980 264359603 /nfs/dbraw/zinc/35/96/03/264359603.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130639980 264359610 /nfs/dbraw/zinc/35/96/10/264359610.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000130639980 264359614 /nfs/dbraw/zinc/35/96/14/264359614.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000130639980 264359618 /nfs/dbraw/zinc/35/96/18/264359618.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 2 1 288.435 3.166 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000069707008 290386310 /nfs/dbraw/zinc/38/63/10/290386310.db2.gz SIEASOUKXQERLH-INIZCTEOSA-N 2 1 285.435 3.302 20 30 CGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694443 328214452 /nfs/dbraw/zinc/21/44/52/328214452.db2.gz SVQXVDIOBZNIEI-WBVHZDCISA-N 2 1 288.435 3.071 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1CC1 ZINC000121006858 330394847 /nfs/dbraw/zinc/39/48/47/330394847.db2.gz USRMPAAPLPQQIB-WBVHZDCISA-N 2 1 264.457 3.441 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459791722 331301182 /nfs/dbraw/zinc/30/11/82/331301182.db2.gz RQPAMEPHXNHQGY-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP CC#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000462321637 331319559 /nfs/dbraw/zinc/31/95/59/331319559.db2.gz WNMPFVLAJSAACO-UXHICEINSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321637 331319560 /nfs/dbraw/zinc/31/95/60/331319560.db2.gz WNMPFVLAJSAACO-UXHICEINSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321637 331319561 /nfs/dbraw/zinc/31/95/61/331319561.db2.gz WNMPFVLAJSAACO-UXHICEINSA-N 2 1 296.458 3.386 20 30 CGEDMP C=C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1C=C ZINC000489481968 332055291 /nfs/dbraw/zinc/05/52/91/332055291.db2.gz RIMQELNGOJIVAF-IAGOWNOFSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C[C@@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1C=C ZINC000489481968 332055290 /nfs/dbraw/zinc/05/52/90/332055290.db2.gz RIMQELNGOJIVAF-IAGOWNOFSA-N 2 1 262.441 3.458 20 30 CGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973338 333051922 /nfs/dbraw/zinc/05/19/22/333051922.db2.gz PDQSNPZFMTVGDU-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973338 333051923 /nfs/dbraw/zinc/05/19/23/333051923.db2.gz PDQSNPZFMTVGDU-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309973338 333051924 /nfs/dbraw/zinc/05/19/24/333051924.db2.gz PDQSNPZFMTVGDU-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248413227 334300680 /nfs/dbraw/zinc/30/06/80/334300680.db2.gz LBKWXSMZWFVPFN-CEXWTWQISA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000153011261 334540844 /nfs/dbraw/zinc/54/08/44/334540844.db2.gz LTRQXWPRVXQXIH-GJZGRUSLSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205643 525364084 /nfs/dbraw/zinc/36/40/84/525364084.db2.gz LOZMUVUEGLFARY-YOEHRIQHSA-N 2 1 271.408 3.083 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000106246401 526604835 /nfs/dbraw/zinc/60/48/35/526604835.db2.gz KECBQLYCRJCCCK-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC)cc2)CC1 ZINC000106246110 526604954 /nfs/dbraw/zinc/60/49/54/526604954.db2.gz ZNUNTDCAGWOWSS-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000347196055 526861360 /nfs/dbraw/zinc/86/13/60/526861360.db2.gz HQIFUPGZZOZNGN-UHFFFAOYSA-N 2 1 294.826 3.089 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000347196055 526861365 /nfs/dbraw/zinc/86/13/65/526861365.db2.gz HQIFUPGZZOZNGN-UHFFFAOYSA-N 2 1 294.826 3.089 20 30 CGEDMP C=CCCC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352739855 527296640 /nfs/dbraw/zinc/29/66/40/527296640.db2.gz RJDVHORPUAUDFU-LBPRGKRZSA-N 2 1 267.442 3.039 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423302543 528822257 /nfs/dbraw/zinc/82/22/57/528822257.db2.gz VRJWPFDCKCLBQW-HOTGVXAUSA-N 2 1 259.397 3.116 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790963 619249833 /nfs/dbraw/zinc/24/98/33/619249833.db2.gz JVEWJJLTXHVKSB-IRXDYDNUSA-N 2 1 294.483 3.260 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000924988437 619477602 /nfs/dbraw/zinc/47/76/02/619477602.db2.gz RTULEOCMPXVMTG-ZIAGYGMSSA-N 2 1 250.430 3.051 20 30 CGEDMP C=C(Cl)C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902346891 621257389 /nfs/dbraw/zinc/25/73/89/621257389.db2.gz MCUSPQITSLZPAN-AWEZNQCLSA-N 2 1 288.769 3.477 20 30 CGEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@]1(C)CCCCO1 ZINC000902726615 621414657 /nfs/dbraw/zinc/41/46/57/621414657.db2.gz RHRMRZQWVJIRRH-QZTJIDSGSA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902896281 621489649 /nfs/dbraw/zinc/48/96/49/621489649.db2.gz JKIRQYWXZUQKGQ-MSOLQXFVSA-N 2 1 292.467 3.132 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CC[NH3+] ZINC000903768412 621803564 /nfs/dbraw/zinc/80/35/64/621803564.db2.gz MTELAROYOXWROM-CVEARBPZSA-N 2 1 277.456 3.300 20 30 CGEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848772 623860168 /nfs/dbraw/zinc/86/01/68/623860168.db2.gz UFPZIPWQNPLVNF-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848772 623860172 /nfs/dbraw/zinc/86/01/72/623860172.db2.gz UFPZIPWQNPLVNF-IRXDYDNUSA-N 2 1 289.467 3.267 20 30 CGEDMP CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796856945 629849274 /nfs/dbraw/zinc/84/92/74/629849274.db2.gz OMSSDWKKDHMKCA-XHSDSOJGSA-N 2 1 252.446 3.419 20 30 CGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000809738656 630795533 /nfs/dbraw/zinc/79/55/33/630795533.db2.gz DGCJZURABPDTOM-UHFFFAOYSA-N 2 1 299.443 3.313 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(C)(C)SC)CC1 ZINC000877009618 634949003 /nfs/dbraw/zinc/94/90/03/634949003.db2.gz UINDWECSRYAFOF-UHFFFAOYSA-N 2 1 270.486 3.148 20 30 CGEDMP C#CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285573 635444485 /nfs/dbraw/zinc/44/44/85/635444485.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285573 635444491 /nfs/dbraw/zinc/44/44/91/635444491.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285573 635444496 /nfs/dbraw/zinc/44/44/96/635444496.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CC[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000886363736 637514506 /nfs/dbraw/zinc/51/45/06/637514506.db2.gz AIUYIUBKNNRRHE-MRXNPFEDSA-N 2 1 279.387 3.026 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccco1 ZINC000925842032 638630153 /nfs/dbraw/zinc/63/01/53/638630153.db2.gz WRNYBZFTDTVSBO-DJIMGWMZSA-N 2 1 274.408 3.409 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926634740 638792825 /nfs/dbraw/zinc/79/28/25/638792825.db2.gz ICSSLGFGMYGQLY-NXHRZFHOSA-N 2 1 299.462 3.250 20 30 CGEDMP C=CCCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931313498 639133558 /nfs/dbraw/zinc/13/35/58/639133558.db2.gz CCOFJCNBIONFIB-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931313498 639133561 /nfs/dbraw/zinc/13/35/61/639133561.db2.gz CCOFJCNBIONFIB-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313498 639133564 /nfs/dbraw/zinc/13/35/64/639133564.db2.gz CCOFJCNBIONFIB-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313498 639133568 /nfs/dbraw/zinc/13/35/68/639133568.db2.gz CCOFJCNBIONFIB-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668804 806479439 /nfs/dbraw/zinc/47/94/39/806479439.db2.gz LFNKVWYLIJXAML-MJGOQNOKSA-N 2 1 297.446 3.275 20 30 CGEDMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668804 806479443 /nfs/dbraw/zinc/47/94/43/806479443.db2.gz LFNKVWYLIJXAML-MJGOQNOKSA-N 2 1 297.446 3.275 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480935 /nfs/dbraw/zinc/48/09/35/806480935.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480941 /nfs/dbraw/zinc/48/09/41/806480941.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254672054 806480947 /nfs/dbraw/zinc/48/09/47/806480947.db2.gz WWXJTBGBHSWAOV-QAETUUGQSA-N 2 1 275.440 3.017 20 30 CGEDMP N#CC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399678 806632656 /nfs/dbraw/zinc/63/26/56/806632656.db2.gz XDJCSSVHTQQPMZ-LJQANCHMSA-N 2 1 297.446 3.277 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000328209837 799250552 /nfs/dbraw/zinc/25/05/52/799250552.db2.gz WBAOLGCNBPQYFY-KRWDZBQOSA-N 2 1 286.463 3.288 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000328209837 799250557 /nfs/dbraw/zinc/25/05/57/799250557.db2.gz WBAOLGCNBPQYFY-KRWDZBQOSA-N 2 1 286.463 3.288 20 30 CGEDMP CC[NH+](CC)CC[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001255949187 806793962 /nfs/dbraw/zinc/79/39/62/806793962.db2.gz UVQANUXNRQQWSA-HNNXBMFYSA-N 2 1 285.435 3.257 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[N@@H+]1Cc1ccccc1 ZINC001256530426 806910894 /nfs/dbraw/zinc/91/08/94/806910894.db2.gz LLLFFOQCYCQKRM-HOCLYGCPSA-N 2 1 292.492 3.338 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)S)CC[N@H+]1Cc1ccccc1 ZINC001256530426 806910897 /nfs/dbraw/zinc/91/08/97/806910897.db2.gz LLLFFOQCYCQKRM-HOCLYGCPSA-N 2 1 292.492 3.338 20 30 CGEDMP C#CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800967 802604960 /nfs/dbraw/zinc/60/49/60/802604960.db2.gz JIJNFNBCRBXVBG-IRXDYDNUSA-N 2 1 270.420 3.213 20 30 CGEDMP C#CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800967 802604964 /nfs/dbraw/zinc/60/49/64/802604964.db2.gz JIJNFNBCRBXVBG-IRXDYDNUSA-N 2 1 270.420 3.213 20 30 CGEDMP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256900847 807002356 /nfs/dbraw/zinc/00/23/56/807002356.db2.gz QMRRVQYNNACSLO-SFHVURJKSA-N 2 1 297.446 3.097 20 30 CGEDMP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256900847 807002365 /nfs/dbraw/zinc/00/23/65/807002365.db2.gz QMRRVQYNNACSLO-SFHVURJKSA-N 2 1 297.446 3.097 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256899575 807003350 /nfs/dbraw/zinc/00/33/50/807003350.db2.gz HGMHHGIBWHAPGG-BZUAXINKSA-N 2 1 275.440 3.065 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256899575 807003355 /nfs/dbraw/zinc/00/33/55/807003355.db2.gz HGMHHGIBWHAPGG-BZUAXINKSA-N 2 1 275.440 3.065 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])CC(C)C ZINC001246016169 804098268 /nfs/dbraw/zinc/09/82/68/804098268.db2.gz SIAYGMUBOFUZFP-HOTGVXAUSA-N 2 1 272.477 3.061 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC001246061198 804104397 /nfs/dbraw/zinc/10/43/97/804104397.db2.gz IQEWOGDIGSJXDQ-KRWDZBQOSA-N 2 1 284.488 3.173 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@@H](CO)C1 ZINC001246262733 804243507 /nfs/dbraw/zinc/24/35/07/804243507.db2.gz QASMBYATFWMUCY-BRWVUGGUSA-N 2 1 284.488 3.074 20 30 CGEDMP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246262602 804244360 /nfs/dbraw/zinc/24/43/60/804244360.db2.gz ITEQXVIPLHLPAT-VQTJNVASSA-N 2 1 290.410 3.251 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246320053 804279206 /nfs/dbraw/zinc/27/92/06/804279206.db2.gz ZAWGPSQITKQKRJ-QLFBSQMISA-N 2 1 274.408 3.043 20 30 CGEDMP CCCCCCCC[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246646885 804474060 /nfs/dbraw/zinc/47/40/60/804474060.db2.gz ORYRPTWLNXMJTO-SQNIBIBYSA-N 2 1 296.499 3.029 20 30 CGEDMP CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246659567 804484239 /nfs/dbraw/zinc/48/42/39/804484239.db2.gz SZPSLEYJGMNFFW-WCVJEAGWSA-N 2 1 252.446 3.405 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246818260 804533753 /nfs/dbraw/zinc/53/37/53/804533753.db2.gz ZDCQJBLQQVIDID-YQVWRLOYSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246818260 804533756 /nfs/dbraw/zinc/53/37/56/804533756.db2.gz ZDCQJBLQQVIDID-YQVWRLOYSA-N 2 1 282.431 3.140 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246947111 804613565 /nfs/dbraw/zinc/61/35/65/804613565.db2.gz VKNJLYLXKGUYFW-HUUCEWRRSA-N 2 1 258.425 3.498 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001247014426 804643072 /nfs/dbraw/zinc/64/30/72/804643072.db2.gz KBUCOIGOYFNSRP-YUGHNKOSSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001247014426 804643075 /nfs/dbraw/zinc/64/30/75/804643075.db2.gz KBUCOIGOYFNSRP-YUGHNKOSSA-N 2 1 274.452 3.195 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001257546938 807194871 /nfs/dbraw/zinc/19/48/71/807194871.db2.gz JVBLIZMJTZLMCH-MRXNPFEDSA-N 2 1 272.477 3.159 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001257546938 807194873 /nfs/dbraw/zinc/19/48/73/807194873.db2.gz JVBLIZMJTZLMCH-MRXNPFEDSA-N 2 1 272.477 3.159 20 30 CGEDMP C#CC1([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029573 807299706 /nfs/dbraw/zinc/29/97/06/807299706.db2.gz TUWMCYNSYJYXGN-ALXJQNPVSA-N 2 1 282.431 3.183 20 30 CGEDMP C#CC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029573 807299711 /nfs/dbraw/zinc/29/97/11/807299711.db2.gz TUWMCYNSYJYXGN-ALXJQNPVSA-N 2 1 282.431 3.183 20 30 CGEDMP CCC#C[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001168825500 807520317 /nfs/dbraw/zinc/52/03/17/807520317.db2.gz JRASPWHERFBPEK-KRWDZBQOSA-N 2 1 299.462 3.422 20 30 CGEDMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169108920 807579482 /nfs/dbraw/zinc/57/94/82/807579482.db2.gz WCDVXPBEFBMRJR-ZJPYXAASSA-N 2 1 283.419 3.224 20 30 CGEDMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173597756 808650964 /nfs/dbraw/zinc/65/09/64/808650964.db2.gz HZTOJVIXLQKPFW-UHFFFAOYSA-N 2 1 275.440 3.017 20 30 CGEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351349 809373255 /nfs/dbraw/zinc/37/32/55/809373255.db2.gz LDBVKYPPTWBNBP-QZTJIDSGSA-N 2 1 276.468 3.375 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1 ZINC001203904756 812488320 /nfs/dbraw/zinc/48/83/20/812488320.db2.gz FZPPFHPUCMEVLI-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203904756 812488325 /nfs/dbraw/zinc/48/83/25/812488325.db2.gz FZPPFHPUCMEVLI-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203904756 812488328 /nfs/dbraw/zinc/48/83/28/812488328.db2.gz FZPPFHPUCMEVLI-RBUKOAKNSA-N 2 1 297.446 3.397 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762391 813068933 /nfs/dbraw/zinc/06/89/33/813068933.db2.gz LURCYWZBXWTWGU-CYBMUJFWSA-N 2 1 260.372 3.039 20 30 CGEDMP C=CCCCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205981528 813151713 /nfs/dbraw/zinc/15/17/13/813151713.db2.gz DUMORRADCOGVOR-CVEARBPZSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206011169 813163703 /nfs/dbraw/zinc/16/37/03/813163703.db2.gz AJWUVKFKXVKOPY-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206153702 813215392 /nfs/dbraw/zinc/21/53/92/813215392.db2.gz FCSZQBGTICSKNB-HUUCEWRRSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153702 813215397 /nfs/dbraw/zinc/21/53/97/813215397.db2.gz FCSZQBGTICSKNB-HUUCEWRRSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153702 813215400 /nfs/dbraw/zinc/21/54/00/813215400.db2.gz FCSZQBGTICSKNB-HUUCEWRRSA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206153700 813215521 /nfs/dbraw/zinc/21/55/21/813215521.db2.gz FCSZQBGTICSKNB-CABCVRRESA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153700 813215527 /nfs/dbraw/zinc/21/55/27/813215527.db2.gz FCSZQBGTICSKNB-CABCVRRESA-N 2 1 258.425 3.498 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153700 813215529 /nfs/dbraw/zinc/21/55/29/813215529.db2.gz FCSZQBGTICSKNB-CABCVRRESA-N 2 1 258.425 3.498 20 30 CGEDMP C=CCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001209161228 813951233 /nfs/dbraw/zinc/95/12/33/813951233.db2.gz JRSNVTQBOXYQFD-HNNXBMFYSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001209161228 813951239 /nfs/dbraw/zinc/95/12/39/813951239.db2.gz JRSNVTQBOXYQFD-HNNXBMFYSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001209161228 813951252 /nfs/dbraw/zinc/95/12/52/813951252.db2.gz JRSNVTQBOXYQFD-HNNXBMFYSA-N 2 1 290.455 3.066 20 30 CGEDMP C=CCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001209161228 813951257 /nfs/dbraw/zinc/95/12/57/813951257.db2.gz JRSNVTQBOXYQFD-HNNXBMFYSA-N 2 1 290.455 3.066 20 30 CGEDMP CCCCCCCCC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181534 816369489 /nfs/dbraw/zinc/36/94/89/816369489.db2.gz MHTYRSIAEPDNLF-UHFFFAOYSA-N 2 1 282.472 3.191 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979552 818970006 /nfs/dbraw/zinc/97/00/06/818970006.db2.gz PHGKJAYYEBNDJK-IYBDPMFKSA-N 2 1 250.430 3.054 20 30 CGEDMP CCCCCCC[N@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235662717 819132499 /nfs/dbraw/zinc/13/24/99/819132499.db2.gz MRDMOEHWCOVHSG-UHFFFAOYSA-N 2 1 281.469 3.191 20 30 CGEDMP CCCCCCC[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC001235662717 819132502 /nfs/dbraw/zinc/13/25/02/819132502.db2.gz MRDMOEHWCOVHSG-UHFFFAOYSA-N 2 1 281.469 3.191 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001235703532 819146521 /nfs/dbraw/zinc/14/65/21/819146521.db2.gz XWPBWXXHLMDRMP-UHFFFAOYSA-N 2 1 276.399 3.156 20 30 CGEDMP C=CCC[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC001473857129 937825186 /nfs/dbraw/zinc/82/51/86/937825186.db2.gz FARQDGLLERCIGL-INIZCTEOSA-N 2 1 261.413 3.402 20 30 CGEDMP C=CCC[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC001473857129 937825188 /nfs/dbraw/zinc/82/51/88/937825188.db2.gz FARQDGLLERCIGL-INIZCTEOSA-N 2 1 261.413 3.402 20 30 CGEDMP C#CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CC[NH2+]CC1 ZINC001574667132 962313897 /nfs/dbraw/zinc/31/38/97/962313897.db2.gz NBQYUZKAXUFHSY-FVQHAEBGSA-N 2 1 276.468 3.136 20 30 CGEDMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@H](C)c1ccc(C#N)cc1 ZINC001577707502 962566606 /nfs/dbraw/zinc/56/66/06/962566606.db2.gz MNUMCJHOGXZNAQ-NVXWUHKLSA-N 2 1 285.435 3.331 20 30 CGEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591245152 346911670 /nfs/dbraw/zinc/91/16/70/346911670.db2.gz VHMVEZXHCHSWFC-HNAYVOBHSA-N 2 1 297.446 3.257 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000591576964 346929365 /nfs/dbraw/zinc/92/93/65/346929365.db2.gz MNYAQTAVLGIYDZ-RBUKOAKNSA-N 2 1 297.446 3.433 20 30 CGEDMP CC[N@@H+](CCCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658611 347762332 /nfs/dbraw/zinc/76/23/32/347762332.db2.gz CVHMRRGZNXILEH-UHFFFAOYSA-N 2 1 273.424 3.264 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602513824 347973410 /nfs/dbraw/zinc/97/34/10/347973410.db2.gz JFYIEMJNIAVKFX-ZACQAIPSSA-N 2 1 279.472 3.274 20 30 CGEDMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388198 348443614 /nfs/dbraw/zinc/44/36/14/348443614.db2.gz YKXFZASKKTVSAS-YOEHRIQHSA-N 2 1 271.408 3.083 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683913 370153918 /nfs/dbraw/zinc/15/39/18/370153918.db2.gz YQBRDMLKOINKHN-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccco1 ZINC000293752779 372469922 /nfs/dbraw/zinc/46/99/22/372469922.db2.gz RLPZLECJEFDZBL-ZIAGYGMSSA-N 2 1 250.386 3.074 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000295104103 372692946 /nfs/dbraw/zinc/69/29/46/372692946.db2.gz WLJXNHIJBDNPDP-LLVKDONJSA-N 2 1 270.829 3.007 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000295104103 372692953 /nfs/dbraw/zinc/69/29/53/372692953.db2.gz WLJXNHIJBDNPDP-LLVKDONJSA-N 2 1 270.829 3.007 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000183147589 374377629 /nfs/dbraw/zinc/37/76/29/374377629.db2.gz FUWMIIOWMPMMDO-CYBMUJFWSA-N 2 1 268.364 3.135 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187702141 375077244 /nfs/dbraw/zinc/07/72/44/375077244.db2.gz CSHZUQJDIFLQJQ-FUHWJXTLSA-N 2 1 297.446 3.427 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187702141 375077249 /nfs/dbraw/zinc/07/72/49/375077249.db2.gz CSHZUQJDIFLQJQ-FUHWJXTLSA-N 2 1 297.446 3.427 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529539661 375928160 /nfs/dbraw/zinc/92/81/60/375928160.db2.gz VTGUGYUABLHARS-LBPRGKRZSA-N 2 1 272.383 3.050 20 30 CGEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248174458 377277258 /nfs/dbraw/zinc/27/72/58/377277258.db2.gz VJOGCYMZOWDWCQ-ROUUACIJSA-N 2 1 270.420 3.159 20 30 CGEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248174458 377277265 /nfs/dbraw/zinc/27/72/65/377277265.db2.gz VJOGCYMZOWDWCQ-ROUUACIJSA-N 2 1 270.420 3.159 20 30 CGEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248174458 377277275 /nfs/dbraw/zinc/27/72/75/377277275.db2.gz VJOGCYMZOWDWCQ-ROUUACIJSA-N 2 1 270.420 3.159 20 30 CGEDMP C=CC[C@H]1[N@H+](CC2CC[NH2+]CC2)CCCC1(C)C ZINC000261605888 377826108 /nfs/dbraw/zinc/82/61/08/377826108.db2.gz ACRJQKWFNXBDKJ-OAHLLOKOSA-N 2 1 250.430 3.053 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC2(C#N)CC2)CC1 ZINC000343320317 377951158 /nfs/dbraw/zinc/95/11/58/377951158.db2.gz LSVRHHBWLHNKJI-MRXNPFEDSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343320317 377951163 /nfs/dbraw/zinc/95/11/63/377951163.db2.gz LSVRHHBWLHNKJI-MRXNPFEDSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343320317 377951169 /nfs/dbraw/zinc/95/11/69/377951169.db2.gz LSVRHHBWLHNKJI-MRXNPFEDSA-N 2 1 289.467 3.267 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013212 /nfs/dbraw/zinc/01/32/12/378013212.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013220 /nfs/dbraw/zinc/01/32/20/378013220.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 2 1 285.435 3.057 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013228 /nfs/dbraw/zinc/01/32/28/378013228.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 2 1 285.435 3.057 20 30 CGEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025392 378429688 /nfs/dbraw/zinc/42/96/88/378429688.db2.gz JWXSAMGPVIYNEF-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025392 378429695 /nfs/dbraw/zinc/42/96/95/378429695.db2.gz JWXSAMGPVIYNEF-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025392 378429699 /nfs/dbraw/zinc/42/96/99/378429699.db2.gz JWXSAMGPVIYNEF-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000271025392 378429703 /nfs/dbraw/zinc/42/97/03/378429703.db2.gz JWXSAMGPVIYNEF-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP C[C@H]([NH2+]CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272528281 378658338 /nfs/dbraw/zinc/65/83/38/378658338.db2.gz QPXQWDSRJAYNFW-FUHWJXTLSA-N 2 1 285.435 3.180 20 30 CGEDMP C=CCOCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000348026634 378757718 /nfs/dbraw/zinc/75/77/18/378757718.db2.gz FGWOYLVQAVQKAH-MSOLQXFVSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000348026634 378757726 /nfs/dbraw/zinc/75/77/26/378757726.db2.gz FGWOYLVQAVQKAH-MSOLQXFVSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000348026634 378757732 /nfs/dbraw/zinc/75/77/32/378757732.db2.gz FGWOYLVQAVQKAH-MSOLQXFVSA-N 2 1 294.483 3.166 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411323635 380141102 /nfs/dbraw/zinc/14/11/02/380141102.db2.gz FFUZRUOXBGIKMT-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411323635 380141108 /nfs/dbraw/zinc/14/11/08/380141108.db2.gz FFUZRUOXBGIKMT-MRXNPFEDSA-N 2 1 277.456 3.124 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000414125766 380190971 /nfs/dbraw/zinc/19/09/71/380190971.db2.gz QKXAATINHOSRQR-HOTGVXAUSA-N 2 1 264.457 3.441 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163396 380195231 /nfs/dbraw/zinc/19/52/31/380195231.db2.gz IMVHDDONCJDZAU-DLBZAZTESA-N 2 1 285.435 3.351 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1c1ccccc1 ZINC000414163396 380195239 /nfs/dbraw/zinc/19/52/39/380195239.db2.gz IMVHDDONCJDZAU-DLBZAZTESA-N 2 1 285.435 3.351 20 30 CGEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420326813 380848655 /nfs/dbraw/zinc/84/86/55/380848655.db2.gz XUONZBCJEJSZQK-HNNXBMFYSA-N 2 1 276.399 3.203 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000367620563 382352625 /nfs/dbraw/zinc/35/26/25/382352625.db2.gz YHGDTLPIFYJDQW-KSZLIROESA-N 2 1 270.420 3.162 20 30 CGEDMP C=CCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000339072096 392945565 /nfs/dbraw/zinc/94/55/65/392945565.db2.gz PAIJZOJEUMXHFP-CQSZACIVSA-N 2 1 285.391 3.034 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037236815 173054165 /nfs/dbraw/zinc/05/41/65/173054165.db2.gz WQBFFUZQPAZHGG-CQSZACIVSA-N 2 1 271.408 3.082 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000685615353 544089281 /nfs/dbraw/zinc/08/92/81/544089281.db2.gz MDCVTFBLHMRYOY-GOEBONIOSA-N 2 1 262.441 3.219 20 30 CGEDMP C=CC[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662298331 419388443 /nfs/dbraw/zinc/38/84/43/419388443.db2.gz BFIGGHQCVWCLRP-WBVHZDCISA-N 2 1 288.435 3.026 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000663344308 419569198 /nfs/dbraw/zinc/56/91/98/419569198.db2.gz RENBEGQOTPATSM-BPQIPLTHSA-N 2 1 276.468 3.443 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336368413 276151446 /nfs/dbraw/zinc/15/14/46/276151446.db2.gz QOZTXTZGZRWXNP-GOSISDBHSA-N 2 1 283.419 3.010 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000154317915 277386754 /nfs/dbraw/zinc/38/67/54/277386754.db2.gz TXNBENKSXAHYHU-OAHLLOKOSA-N 2 1 285.435 3.329 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274638635 328212141 /nfs/dbraw/zinc/21/21/41/328212141.db2.gz QRCJZSSKHZLWKA-LULLPPNCSA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274638635 328212142 /nfs/dbraw/zinc/21/21/42/328212142.db2.gz QRCJZSSKHZLWKA-LULLPPNCSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292727 328253382 /nfs/dbraw/zinc/25/33/82/328253382.db2.gz YRUSGWSXUQWZPE-IAGOWNOFSA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292727 328253384 /nfs/dbraw/zinc/25/33/84/328253384.db2.gz YRUSGWSXUQWZPE-IAGOWNOFSA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCC1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCCC1 ZINC000423152660 330173102 /nfs/dbraw/zinc/17/31/02/330173102.db2.gz GBXGFWZZOJZMAW-ZDUSSCGKSA-N 2 1 259.397 3.281 20 30 CGEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595054 330386517 /nfs/dbraw/zinc/38/65/17/330386517.db2.gz BVSVUJLSOLOAOD-IRXDYDNUSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)C1CC1 ZINC000121045375 330395415 /nfs/dbraw/zinc/39/54/15/330395415.db2.gz LUSPYOKRXPTHGZ-QGZVFWFLSA-N 2 1 262.441 3.361 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000442794827 330784102 /nfs/dbraw/zinc/78/41/02/330784102.db2.gz QKHKPGFQNUYSLN-UKRRQHHQSA-N 2 1 298.365 3.102 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000510735435 332914304 /nfs/dbraw/zinc/91/43/04/332914304.db2.gz ORJLJSHVUVTIAH-IRXDYDNUSA-N 2 1 262.441 3.195 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665047 332273824 /nfs/dbraw/zinc/27/38/24/332273824.db2.gz KCBALRZSORMWKP-QZTJIDSGSA-N 2 1 282.431 3.185 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000491665047 332273825 /nfs/dbraw/zinc/27/38/25/332273825.db2.gz KCBALRZSORMWKP-QZTJIDSGSA-N 2 1 282.431 3.185 20 30 CGEDMP CC(C)(C#N)CCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308631464 333036992 /nfs/dbraw/zinc/03/69/92/333036992.db2.gz MLUULBJCQULEGD-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000552048508 334281627 /nfs/dbraw/zinc/28/16/27/334281627.db2.gz VOMRHYJFYRNZDL-HOTGVXAUSA-N 2 1 250.430 3.051 20 30 CGEDMP C=CCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000249279080 334331162 /nfs/dbraw/zinc/33/11/62/334331162.db2.gz MVOXXNAXLVFEKQ-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000249279080 334331163 /nfs/dbraw/zinc/33/11/63/334331163.db2.gz MVOXXNAXLVFEKQ-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C=CCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000249279080 334331165 /nfs/dbraw/zinc/33/11/65/334331165.db2.gz MVOXXNAXLVFEKQ-JKSUJKDBSA-N 2 1 252.446 3.395 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC000091060115 334371423 /nfs/dbraw/zinc/37/14/23/334371423.db2.gz PDEUWOOSTKKUQI-UHFFFAOYSA-N 2 1 272.436 3.434 20 30 CGEDMP C=CCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381860823 336074678 /nfs/dbraw/zinc/07/46/78/336074678.db2.gz IXJLKGGRBKIEHJ-IPMKNSEASA-N 2 1 284.447 3.453 20 30 CGEDMP C=CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931393 527235761 /nfs/dbraw/zinc/23/57/61/527235761.db2.gz LSVPNURILPFCEE-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707478 617689048 /nfs/dbraw/zinc/68/90/48/617689048.db2.gz YRUHCLAOWDIIHJ-CALCHBBNSA-N 2 1 299.462 3.406 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CC#Cc1ccccc1 ZINC000892583612 618867764 /nfs/dbraw/zinc/86/77/64/618867764.db2.gz CLJNSCFMLMTAMJ-SFHVURJKSA-N 2 1 284.447 3.282 20 30 CGEDMP C#CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121748 619421217 /nfs/dbraw/zinc/42/12/17/619421217.db2.gz UAOVZYRAFIECSD-QGZVFWFLSA-N 2 1 262.441 3.130 20 30 CGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894923756 619684222 /nfs/dbraw/zinc/68/42/22/619684222.db2.gz LTQKTSDYUWEPEC-QBUWPKIASA-N 2 1 284.447 3.389 20 30 CGEDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082361 621562818 /nfs/dbraw/zinc/56/28/18/621562818.db2.gz ZMJOUMAHLOOONO-ZEIDCXACSA-N 2 1 295.430 3.367 20 30 CGEDMP N#CC1CCC(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903813046 621814661 /nfs/dbraw/zinc/81/46/61/621814661.db2.gz XZVJECJZQYCIPU-OFLPRAFFSA-N 2 1 289.467 3.300 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000060978683 623085328 /nfs/dbraw/zinc/08/53/28/623085328.db2.gz LZNZMVIWNCRFLO-IYBDPMFKSA-N 2 1 285.435 3.016 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000060978683 623085333 /nfs/dbraw/zinc/08/53/33/623085333.db2.gz LZNZMVIWNCRFLO-IYBDPMFKSA-N 2 1 285.435 3.016 20 30 CGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151962238 623596800 /nfs/dbraw/zinc/59/68/00/623596800.db2.gz RBXVVVSXUMERNY-CQSZACIVSA-N 2 1 296.842 3.420 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872034524 633952773 /nfs/dbraw/zinc/95/27/73/633952773.db2.gz PKEVDJNGCBQMKR-KRWDZBQOSA-N 2 1 292.467 3.108 20 30 CGEDMP CCCCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000848996298 636709508 /nfs/dbraw/zinc/70/95/08/636709508.db2.gz OQFNHDMBORLWHO-INIZCTEOSA-N 2 1 296.503 3.191 20 30 CGEDMP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000924638949 638382029 /nfs/dbraw/zinc/38/20/29/638382029.db2.gz HLEFNHYWDADXRW-UHFFFAOYSA-N 2 1 285.435 3.158 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782310 638951052 /nfs/dbraw/zinc/95/10/52/638951052.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782310 638951053 /nfs/dbraw/zinc/95/10/53/638951053.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782310 638951056 /nfs/dbraw/zinc/95/10/56/638951056.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782310 638951057 /nfs/dbraw/zinc/95/10/57/638951057.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000930170653 638978785 /nfs/dbraw/zinc/97/87/85/638978785.db2.gz CLFLDRBYGVLITC-UHFFFAOYSA-N 2 1 297.446 3.235 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170653 638978787 /nfs/dbraw/zinc/97/87/87/638978787.db2.gz CLFLDRBYGVLITC-UHFFFAOYSA-N 2 1 297.446 3.235 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461384 639004326 /nfs/dbraw/zinc/00/43/26/639004326.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 2 1 297.446 3.232 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461384 639004335 /nfs/dbraw/zinc/00/43/35/639004335.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 2 1 297.446 3.232 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461384 639004345 /nfs/dbraw/zinc/00/43/45/639004345.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 2 1 297.446 3.232 20 30 CGEDMP N#C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254648754 806473134 /nfs/dbraw/zinc/47/31/34/806473134.db2.gz NUHJOZYSYKQSCM-VJANTYMQSA-N 2 1 297.446 3.451 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000392757183 799483513 /nfs/dbraw/zinc/48/35/13/799483513.db2.gz IPDISYISHOHCJL-MRXNPFEDSA-N 2 1 278.827 3.336 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000392757183 799483518 /nfs/dbraw/zinc/48/35/18/799483518.db2.gz IPDISYISHOHCJL-MRXNPFEDSA-N 2 1 278.827 3.336 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746292 799848152 /nfs/dbraw/zinc/84/81/52/799848152.db2.gz DQYCVPPUGATPII-QWHCGFSZSA-N 2 1 280.378 3.416 20 30 CGEDMP CC(C)(C#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641057 800177660 /nfs/dbraw/zinc/17/76/60/800177660.db2.gz XMGWZCLFRPDGES-KSZLIROESA-N 2 1 297.446 3.179 20 30 CGEDMP CC(C)(C#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641057 800177662 /nfs/dbraw/zinc/17/76/62/800177662.db2.gz XMGWZCLFRPDGES-KSZLIROESA-N 2 1 297.446 3.179 20 30 CGEDMP C=CC(C)(C)CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872103031 800537023 /nfs/dbraw/zinc/53/70/23/800537023.db2.gz WPALYJIBVKQUQC-CABCVRRESA-N 2 1 250.430 3.195 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628254 806932202 /nfs/dbraw/zinc/93/22/02/806932202.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[NH+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628254 806932208 /nfs/dbraw/zinc/93/22/08/806932208.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628254 806932213 /nfs/dbraw/zinc/93/22/13/806932213.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 2 1 294.442 3.234 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628254 806932223 /nfs/dbraw/zinc/93/22/23/806932223.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 2 1 294.442 3.234 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501867 808356989 /nfs/dbraw/zinc/35/69/89/808356989.db2.gz LMLOLFSGYVURIR-JKSUJKDBSA-N 2 1 270.461 3.175 20 30 CGEDMP C=CCCCC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772133 804034067 /nfs/dbraw/zinc/03/40/67/804034067.db2.gz QEHKOVQBCIOVQU-UHFFFAOYSA-N 2 1 290.451 3.415 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001246022106 804100484 /nfs/dbraw/zinc/10/04/84/804100484.db2.gz MKOLFZTUKZKQMC-BBWFWOEESA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001246034386 804102704 /nfs/dbraw/zinc/10/27/04/804102704.db2.gz XCSKOWLHGFVIAP-MSOLQXFVSA-N 2 1 296.499 3.173 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246045509 804104375 /nfs/dbraw/zinc/10/43/75/804104375.db2.gz KTWFXQQKBBMFDR-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001246045509 804104380 /nfs/dbraw/zinc/10/43/80/804104380.db2.gz KTWFXQQKBBMFDR-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246060134 804105373 /nfs/dbraw/zinc/10/53/73/804105373.db2.gz FTOLMSAXAZSTQU-WNRNVDISSA-N 2 1 296.499 3.028 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246215602 804212007 /nfs/dbraw/zinc/21/20/07/804212007.db2.gz ZNJLEPMMZADUIJ-ZACQAIPSSA-N 2 1 284.488 3.218 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@H](CO)C1 ZINC001246215602 804212011 /nfs/dbraw/zinc/21/20/11/804212011.db2.gz ZNJLEPMMZADUIJ-ZACQAIPSSA-N 2 1 284.488 3.218 20 30 CGEDMP C#Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246262600 804244050 /nfs/dbraw/zinc/24/40/50/804244050.db2.gz ITEQXVIPLHLPAT-PMACEKPBSA-N 2 1 290.410 3.251 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246264736 804245470 /nfs/dbraw/zinc/24/54/70/804245470.db2.gz LCFYTTUBGLMZIV-BPQIPLTHSA-N 2 1 288.410 3.319 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@@H](C[NH3+])Cc3ccccc3)C[C@H](C1)C2 ZINC001246270225 804248716 /nfs/dbraw/zinc/24/87/16/804248716.db2.gz TZQNUPJIBIIPCC-ZZJWQFMZSA-N 2 1 284.447 3.281 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCCCCC ZINC001246306006 804269811 /nfs/dbraw/zinc/26/98/11/804269811.db2.gz SSMCFHLYXVNROK-CVEARBPZSA-N 2 1 298.471 3.162 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246320050 804279599 /nfs/dbraw/zinc/27/95/99/804279599.db2.gz ZAWGPSQITKQKRJ-ILXRZTDVSA-N 2 1 274.408 3.043 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]CCC3(C)C)C[C@H](C1)C2 ZINC001246324022 804282311 /nfs/dbraw/zinc/28/23/11/804282311.db2.gz DSUUSYJXFRNEIR-VFSICIBPSA-N 2 1 262.441 3.099 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001246535957 804385866 /nfs/dbraw/zinc/38/58/66/804385866.db2.gz QWWOUYNJCYDQPV-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246617301 804452116 /nfs/dbraw/zinc/45/21/16/804452116.db2.gz IQMMLIASLUAXHD-IRXDYDNUSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246617301 804452118 /nfs/dbraw/zinc/45/21/18/804452118.db2.gz IQMMLIASLUAXHD-IRXDYDNUSA-N 2 1 282.472 3.190 20 30 CGEDMP CC[C@@H]1CC([N@@H+](C)Cc2ccc(C#N)cc2)C[C@@H](CC)[NH2+]1 ZINC001246771257 804505242 /nfs/dbraw/zinc/50/52/42/804505242.db2.gz XLKKUJCDPWOIDE-IAGOWNOFSA-N 2 1 285.435 3.299 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246949884 804616506 /nfs/dbraw/zinc/61/65/06/804616506.db2.gz RHSVIZILWSCSLD-QLPKVWCKSA-N 2 1 262.441 3.480 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001258727604 807574888 /nfs/dbraw/zinc/57/48/88/807574888.db2.gz IDIPIKXAEVMQBC-ZWKOTPCHSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001258727604 807574893 /nfs/dbraw/zinc/57/48/93/807574893.db2.gz IDIPIKXAEVMQBC-ZWKOTPCHSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727604 807574896 /nfs/dbraw/zinc/57/48/96/807574896.db2.gz IDIPIKXAEVMQBC-ZWKOTPCHSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727604 807574900 /nfs/dbraw/zinc/57/49/00/807574900.db2.gz IDIPIKXAEVMQBC-ZWKOTPCHSA-N 2 1 294.483 3.164 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172308606 808223227 /nfs/dbraw/zinc/22/32/27/808223227.db2.gz LLQLLPHMVXWBTN-FCEWJHQRSA-N 2 1 299.462 3.198 20 30 CGEDMP C[C@H](CCCC#N)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172479155 808343277 /nfs/dbraw/zinc/34/32/77/808343277.db2.gz HAXOLXYZKSDCMI-OWCLPIDISA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172487233 808348161 /nfs/dbraw/zinc/34/81/61/808348161.db2.gz GMNZEXDXKZPSSK-HZPDHXFCSA-N 2 1 273.424 3.166 20 30 CGEDMP C[C@H](CCCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172499792 808356426 /nfs/dbraw/zinc/35/64/26/808356426.db2.gz ADGFXEQADMWAPD-QRQLOZEOSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172499792 808356435 /nfs/dbraw/zinc/35/64/35/808356435.db2.gz ADGFXEQADMWAPD-QRQLOZEOSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172499792 808356444 /nfs/dbraw/zinc/35/64/44/808356444.db2.gz ADGFXEQADMWAPD-QRQLOZEOSA-N 2 1 297.446 3.133 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(CC#N)CC1)C2 ZINC001173328844 808613655 /nfs/dbraw/zinc/61/36/55/808613655.db2.gz QGFIFOKZKLLPKZ-NWJOVSIXSA-N 2 1 275.440 3.064 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC(CC#N)CC1)C2 ZINC001173328844 808613658 /nfs/dbraw/zinc/61/36/58/808613658.db2.gz QGFIFOKZKLLPKZ-NWJOVSIXSA-N 2 1 275.440 3.064 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)C1CCC(CC#N)CC1 ZINC001173339066 808619890 /nfs/dbraw/zinc/61/98/90/808619890.db2.gz CFNCCTWYPKWOBZ-UHFFFAOYSA-N 2 1 265.445 3.123 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC001177132279 809782197 /nfs/dbraw/zinc/78/21/97/809782197.db2.gz FCLVRFDJYLSWIR-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205616956 813026780 /nfs/dbraw/zinc/02/67/80/813026780.db2.gz HTDHPSUGOOFGMG-JKSUJKDBSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205651689 813041716 /nfs/dbraw/zinc/04/17/16/813041716.db2.gz IFSCVOVXKSRLFH-GXTWGEPZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206002855 813161243 /nfs/dbraw/zinc/16/12/43/813161243.db2.gz CAIXKIDCJLUJRN-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206013738 813164951 /nfs/dbraw/zinc/16/49/51/813164951.db2.gz UAEAPAGBHHTIBP-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC1 ZINC001206760423 813425865 /nfs/dbraw/zinc/42/58/65/813425865.db2.gz FXSIOMXWOPDQOL-HYVNUMGLSA-N 2 1 262.441 3.348 20 30 CGEDMP CCCCCCC/C=C/CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001208117970 813696359 /nfs/dbraw/zinc/69/63/59/813696359.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 2 1 264.457 3.397 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208117970 813696363 /nfs/dbraw/zinc/69/63/63/813696363.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 2 1 264.457 3.397 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001208117970 813696367 /nfs/dbraw/zinc/69/63/67/813696367.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222614912 816479103 /nfs/dbraw/zinc/47/91/03/816479103.db2.gz KSDAYTCWLXIKLH-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C#Cc1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235159770 819020083 /nfs/dbraw/zinc/02/00/83/819020083.db2.gz OKOZUUVQQSKRMN-IBGZPJMESA-N 2 1 282.431 3.022 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338616 819070360 /nfs/dbraw/zinc/07/03/60/819070360.db2.gz BLDKRFOWKRPSRD-INIZCTEOSA-N 2 1 264.457 3.444 20 30 CGEDMP C=CCCC[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348469 819074669 /nfs/dbraw/zinc/07/46/69/819074669.db2.gz FTVKLSPPBAPDIF-QZTJIDSGSA-N 2 1 270.420 3.032 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235371299 819079558 /nfs/dbraw/zinc/07/95/58/819079558.db2.gz YTWBDJMMOXUUBX-KZNAEPCWSA-N 2 1 294.483 3.190 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001235399177 819084876 /nfs/dbraw/zinc/08/48/76/819084876.db2.gz ZINQPDCIIOCGJP-GJZGRUSLSA-N 2 1 270.436 3.356 20 30 CGEDMP C=CCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236498885 819505123 /nfs/dbraw/zinc/50/51/23/819505123.db2.gz CCBPKYQNHXLTRZ-UHFFFAOYSA-N 2 1 294.389 3.485 20 30 CGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001574859805 962322644 /nfs/dbraw/zinc/32/26/44/962322644.db2.gz IZDYQRJYVMPZGJ-HIFRSBDPSA-N 2 1 270.848 3.359 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000651685691 398268998 /nfs/dbraw/zinc/26/89/98/398268998.db2.gz APSSAFKMTJUTCE-PMPSAXMXSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000651730171 398277456 /nfs/dbraw/zinc/27/74/56/398277456.db2.gz BPZFKIXMDHYNFJ-FUHWJXTLSA-N 2 1 294.483 3.210 20 30 CGEDMP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000177702758 346251151 /nfs/dbraw/zinc/25/11/51/346251151.db2.gz BCWLNNKYNJHOPZ-CQSZACIVSA-N 2 1 279.453 3.076 20 30 CGEDMP C=CCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459734051 346624819 /nfs/dbraw/zinc/62/48/19/346624819.db2.gz OBFAEBKMRXCCKN-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033215 347140887 /nfs/dbraw/zinc/14/08/87/347140887.db2.gz KNGPGUIEYUKDNM-UHFFFAOYSA-N 2 1 294.402 3.122 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C#N ZINC000599331081 347736211 /nfs/dbraw/zinc/73/62/11/347736211.db2.gz GHOPNCMFRGTQBH-MAUKXSAKSA-N 2 1 294.402 3.146 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C#N ZINC000600712562 347830160 /nfs/dbraw/zinc/83/01/60/347830160.db2.gz YOBKSEKCNOLYCR-MSOLQXFVSA-N 2 1 297.446 3.078 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C#N ZINC000600712564 347830346 /nfs/dbraw/zinc/83/03/46/347830346.db2.gz YOBKSEKCNOLYCR-ROUUACIJSA-N 2 1 297.446 3.078 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535480 347977358 /nfs/dbraw/zinc/97/73/58/347977358.db2.gz OAMRNIADLJVWLT-PKOBYXMFSA-N 2 1 299.462 3.080 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C#N)CC1)CC(C)C ZINC000602510651 347973060 /nfs/dbraw/zinc/97/30/60/347973060.db2.gz LIZDJYMQDHWQOP-JCYILVPMSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000602515057 347974263 /nfs/dbraw/zinc/97/42/63/347974263.db2.gz SRPKUIOCDBYCAK-HOTGVXAUSA-N 2 1 265.445 3.028 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602647365 348000629 /nfs/dbraw/zinc/00/06/29/348000629.db2.gz HLFORUATYXJCRE-WMZOPIPTSA-N 2 1 285.435 3.038 20 30 CGEDMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602661007 348003467 /nfs/dbraw/zinc/00/34/67/348003467.db2.gz AROJFKMDEIOPPG-HNNXBMFYSA-N 2 1 276.428 3.097 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C)CCC#N ZINC000602661007 348003468 /nfs/dbraw/zinc/00/34/68/348003468.db2.gz AROJFKMDEIOPPG-HNNXBMFYSA-N 2 1 276.428 3.097 20 30 CGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602661007 348003471 /nfs/dbraw/zinc/00/34/71/348003471.db2.gz AROJFKMDEIOPPG-HNNXBMFYSA-N 2 1 276.428 3.097 20 30 CGEDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602545038 347979219 /nfs/dbraw/zinc/97/92/19/347979219.db2.gz LPTQCVGVMRQLOD-JKSUJKDBSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602545038 347979222 /nfs/dbraw/zinc/97/92/22/347979222.db2.gz LPTQCVGVMRQLOD-JKSUJKDBSA-N 2 1 279.472 3.416 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614169793 348654317 /nfs/dbraw/zinc/65/43/17/348654317.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169793 348654321 /nfs/dbraw/zinc/65/43/21/348654321.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 2 1 299.462 3.402 20 30 CGEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[NH+]1C ZINC000614169793 348654323 /nfs/dbraw/zinc/65/43/23/348654323.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 2 1 299.462 3.402 20 30 CGEDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169640 348654446 /nfs/dbraw/zinc/65/44/46/348654446.db2.gz HSQHIWWHOIGJAL-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169640 348654449 /nfs/dbraw/zinc/65/44/49/348654449.db2.gz HSQHIWWHOIGJAL-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169640 348654452 /nfs/dbraw/zinc/65/44/52/348654452.db2.gz HSQHIWWHOIGJAL-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169640 348654454 /nfs/dbraw/zinc/65/44/54/348654454.db2.gz HSQHIWWHOIGJAL-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169640 348654458 /nfs/dbraw/zinc/65/44/58/348654458.db2.gz HSQHIWWHOIGJAL-KRWDZBQOSA-N 2 1 299.462 3.261 20 30 CGEDMP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805388 349156990 /nfs/dbraw/zinc/15/69/90/349156990.db2.gz NYYXGEXDFDCUCL-SFHVURJKSA-N 2 1 283.419 3.010 20 30 CGEDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755565 349282688 /nfs/dbraw/zinc/28/26/88/349282688.db2.gz ZRYAYFFEUVKADC-MLGOLLRUSA-N 2 1 291.826 3.032 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755565 349282689 /nfs/dbraw/zinc/28/26/89/349282689.db2.gz ZRYAYFFEUVKADC-MLGOLLRUSA-N 2 1 291.826 3.032 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177313919 189043722 /nfs/dbraw/zinc/04/37/22/189043722.db2.gz VPXUDMGJQXUNJF-OAHLLOKOSA-N 2 1 288.435 3.386 20 30 CGEDMP CC(C)(CCC#N)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564221 370143243 /nfs/dbraw/zinc/14/32/43/370143243.db2.gz XBBQXIIAJGWJOF-INIZCTEOSA-N 2 1 277.456 3.267 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689022 372375594 /nfs/dbraw/zinc/37/55/94/372375594.db2.gz CVBLFZUHYMPSCW-KURKYZTESA-N 2 1 289.467 3.267 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854667 373105679 /nfs/dbraw/zinc/10/56/79/373105679.db2.gz LDVRLYQQBJMNNO-VYDXJSESSA-N 2 1 275.440 3.065 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449084304 373661659 /nfs/dbraw/zinc/66/16/59/373661659.db2.gz XLIYFLQDTMYJRH-ARFHVFGLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449084304 373661662 /nfs/dbraw/zinc/66/16/62/373661662.db2.gz XLIYFLQDTMYJRH-ARFHVFGLSA-N 2 1 250.430 3.338 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C2CCC2)CC1 ZINC000449121828 373663662 /nfs/dbraw/zinc/66/36/62/373663662.db2.gz JHCPHMBQUMGUGI-INIZCTEOSA-N 2 1 250.430 3.195 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803021 375953899 /nfs/dbraw/zinc/95/38/99/375953899.db2.gz WVKWUNZJXIQJLR-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803021 375953904 /nfs/dbraw/zinc/95/39/04/375953904.db2.gz WVKWUNZJXIQJLR-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803021 375953909 /nfs/dbraw/zinc/95/39/09/375953909.db2.gz WVKWUNZJXIQJLR-LSDHHAIUSA-N 2 1 265.445 3.121 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000249280028 377484347 /nfs/dbraw/zinc/48/43/47/377484347.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000249280028 377484353 /nfs/dbraw/zinc/48/43/53/377484353.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000249280028 377484359 /nfs/dbraw/zinc/48/43/59/377484359.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 2 1 283.419 3.035 20 30 CGEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017370 /nfs/dbraw/zinc/01/73/70/378017370.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 2 1 285.435 3.059 20 30 CGEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017373 /nfs/dbraw/zinc/01/73/73/378017373.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 2 1 285.435 3.059 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017374 /nfs/dbraw/zinc/01/73/74/378017374.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 2 1 285.435 3.059 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017376 /nfs/dbraw/zinc/01/73/76/378017376.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 2 1 285.435 3.059 20 30 CGEDMP C=CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000579236954 378142259 /nfs/dbraw/zinc/14/22/59/378142259.db2.gz OMAPCYDYBQLUPW-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579236954 378142261 /nfs/dbraw/zinc/14/22/61/378142261.db2.gz OMAPCYDYBQLUPW-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000579236954 378142265 /nfs/dbraw/zinc/14/22/65/378142265.db2.gz OMAPCYDYBQLUPW-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000579236954 378142267 /nfs/dbraw/zinc/14/22/67/378142267.db2.gz OMAPCYDYBQLUPW-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579236954 378142269 /nfs/dbraw/zinc/14/22/69/378142269.db2.gz OMAPCYDYBQLUPW-HNNXBMFYSA-N 2 1 278.465 3.386 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268928851 378154787 /nfs/dbraw/zinc/15/47/87/378154787.db2.gz ZAEXAASYQQOVCU-GOSISDBHSA-N 2 1 288.410 3.443 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277383330 379146764 /nfs/dbraw/zinc/14/67/64/379146764.db2.gz YKAASGIKDNWXIO-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277383330 379146767 /nfs/dbraw/zinc/14/67/67/379146767.db2.gz YKAASGIKDNWXIO-RHSMWYFYSA-N 2 1 271.408 3.035 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCC(C)(C)C#N)C1 ZINC000409446527 380036046 /nfs/dbraw/zinc/03/60/46/380036046.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 2 1 279.472 3.370 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409446527 380036051 /nfs/dbraw/zinc/03/60/51/380036051.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 2 1 279.472 3.370 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446527 380036059 /nfs/dbraw/zinc/03/60/59/380036059.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 2 1 279.472 3.370 20 30 CGEDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000353076398 380104396 /nfs/dbraw/zinc/10/43/96/380104396.db2.gz BDPFQZGBWMCTTN-CQSZACIVSA-N 2 1 253.434 3.026 20 30 CGEDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000353076398 380104401 /nfs/dbraw/zinc/10/44/01/380104401.db2.gz BDPFQZGBWMCTTN-CQSZACIVSA-N 2 1 253.434 3.026 20 30 CGEDMP C=CCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000414177455 380200127 /nfs/dbraw/zinc/20/01/27/380200127.db2.gz IYZSISZLPXNCTK-ZBFHGGJFSA-N 2 1 250.430 3.053 20 30 CGEDMP C#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000290078115 392440087 /nfs/dbraw/zinc/44/00/87/392440087.db2.gz QMPMXODGANMBBF-IBGZPJMESA-N 2 1 282.431 3.118 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000290078115 392440094 /nfs/dbraw/zinc/44/00/94/392440094.db2.gz QMPMXODGANMBBF-IBGZPJMESA-N 2 1 282.431 3.118 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744407 392536592 /nfs/dbraw/zinc/53/65/92/392536592.db2.gz NONHOVAXTZKORY-MRXNPFEDSA-N 2 1 250.430 3.006 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336004027 392828176 /nfs/dbraw/zinc/82/81/76/392828176.db2.gz NMVTYSCFBQZHIA-SFHVURJKSA-N 2 1 283.419 3.008 20 30 CGEDMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000037229381 173049289 /nfs/dbraw/zinc/04/92/89/173049289.db2.gz NYFYFPQUBIWQDT-HNNXBMFYSA-N 2 1 271.408 3.085 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000274791562 263030245 /nfs/dbraw/zinc/03/02/45/263030245.db2.gz CAZPCNRTWFJFKX-AEFFLSMTSA-N 2 1 299.462 3.426 20 30 CGEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128173 /nfs/dbraw/zinc/12/81/73/263128173.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128174 /nfs/dbraw/zinc/12/81/74/263128174.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128175 /nfs/dbraw/zinc/12/81/75/263128175.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 2 1 297.446 3.015 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247562686 279136065 /nfs/dbraw/zinc/13/60/65/279136065.db2.gz QZIOHLYQDFGTMT-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247562686 279136067 /nfs/dbraw/zinc/13/60/67/279136067.db2.gz QZIOHLYQDFGTMT-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227474 /nfs/dbraw/zinc/22/74/74/328227474.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227475 /nfs/dbraw/zinc/22/74/75/328227475.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227476 /nfs/dbraw/zinc/22/74/76/328227476.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 2 1 297.446 3.133 20 30 CGEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000119596152 328307132 /nfs/dbraw/zinc/30/71/32/328307132.db2.gz WKCAPWGYXCSJPJ-UHFFFAOYSA-N 2 1 299.393 3.246 20 30 CGEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(F)cc1 ZINC000119596152 328307133 /nfs/dbraw/zinc/30/71/33/328307133.db2.gz WKCAPWGYXCSJPJ-UHFFFAOYSA-N 2 1 299.393 3.246 20 30 CGEDMP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2CCC[C@H](C#N)C2)([NH+](C)C)C1 ZINC000185793447 329331960 /nfs/dbraw/zinc/33/19/60/329331960.db2.gz GTHMGETYNDEVSE-YYIAUSFCSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423266823 330184156 /nfs/dbraw/zinc/18/41/56/330184156.db2.gz SHTGIKIWTHCBIB-JLAWEPINSA-N 2 1 299.462 3.354 20 30 CGEDMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423301180 330189155 /nfs/dbraw/zinc/18/91/55/330189155.db2.gz SQSWKRTYBWWFLS-JLAWEPINSA-N 2 1 299.462 3.498 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488436103 332008122 /nfs/dbraw/zinc/00/81/22/332008122.db2.gz WZUGKYRQERIIGA-HZPDHXFCSA-N 2 1 282.497 3.147 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC(F)(F)F)CC1 ZINC000541539741 333777976 /nfs/dbraw/zinc/77/79/76/333777976.db2.gz GNQYXPZGXDHTAM-LBPRGKRZSA-N 2 1 278.362 3.348 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000133829886 334062225 /nfs/dbraw/zinc/06/22/25/334062225.db2.gz KIGRDWUWEFWEOG-QGZVFWFLSA-N 2 1 286.463 3.495 20 30 CGEDMP C=CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110229 334072965 /nfs/dbraw/zinc/07/29/65/334072965.db2.gz MJHAALBOECTCGT-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110229 334072966 /nfs/dbraw/zinc/07/29/66/334072966.db2.gz MJHAALBOECTCGT-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110229 334072967 /nfs/dbraw/zinc/07/29/67/334072967.db2.gz MJHAALBOECTCGT-SFHVURJKSA-N 2 1 272.436 3.407 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000551241900 334242557 /nfs/dbraw/zinc/24/25/57/334242557.db2.gz XHMLNSCQRYAPHM-SJORKVTESA-N 2 1 296.499 3.315 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC(C(C)C)C(C)C)CC1 ZINC000565731252 334592711 /nfs/dbraw/zinc/59/27/11/334592711.db2.gz XSHIXJIDFMOYEY-UHFFFAOYSA-N 2 1 252.446 3.155 20 30 CGEDMP C=C(CC)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347960222 526860216 /nfs/dbraw/zinc/86/02/16/526860216.db2.gz PLZRTCWMUHCZNJ-HUUCEWRRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000105443682 526903167 /nfs/dbraw/zinc/90/31/67/526903167.db2.gz MREIIUZHHORQRB-HNNXBMFYSA-N 2 1 299.418 3.182 20 30 CGEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924765367 620731247 /nfs/dbraw/zinc/73/12/47/620731247.db2.gz LTODGBKCCLPHIS-ILXRZTDVSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924765367 620731248 /nfs/dbraw/zinc/73/12/48/620731248.db2.gz LTODGBKCCLPHIS-ILXRZTDVSA-N 2 1 265.445 3.025 20 30 CGEDMP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1F ZINC000894404846 619522597 /nfs/dbraw/zinc/52/25/97/619522597.db2.gz AGRLMPAVIMZVDA-MRXNPFEDSA-N 2 1 294.801 3.085 20 30 CGEDMP C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903175836 621613789 /nfs/dbraw/zinc/61/37/89/621613789.db2.gz WKWRQSAWXQWYOZ-VHRNVKJDSA-N 2 1 262.441 3.336 20 30 CGEDMP N#CC1(CCCC[NH+]2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000903716701 621795657 /nfs/dbraw/zinc/79/56/57/621795657.db2.gz BZIFPSIFHZMSMN-UHFFFAOYSA-N 2 1 289.467 3.315 20 30 CGEDMP C#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809606080 630760098 /nfs/dbraw/zinc/76/00/98/630760098.db2.gz LVAFZSCRMKBNQA-KRWDZBQOSA-N 2 1 284.447 3.412 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880255769 635958865 /nfs/dbraw/zinc/95/88/65/635958865.db2.gz XSVJAIXZUVDMKT-DLBZAZTESA-N 2 1 289.467 3.409 20 30 CGEDMP CCCCCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638299 633877321 /nfs/dbraw/zinc/87/73/21/633877321.db2.gz ZPLHLVAWXJJHOL-UHFFFAOYSA-N 2 1 282.472 3.144 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877009029 634948765 /nfs/dbraw/zinc/94/87/65/634948765.db2.gz FHQNBYZVOUFKHJ-UHFFFAOYSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[C@@H](C)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000878332462 635463355 /nfs/dbraw/zinc/46/33/55/635463355.db2.gz QNYNYYIZBJIXJE-MRXNPFEDSA-N 2 1 282.472 3.021 20 30 CGEDMP C=CC[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000878527923 635543840 /nfs/dbraw/zinc/54/38/40/635543840.db2.gz IWIMNGLWGAASGX-CQSZACIVSA-N 2 1 273.424 3.363 20 30 CGEDMP CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227158 636164443 /nfs/dbraw/zinc/16/44/43/636164443.db2.gz HTAPPNHCARBCGG-BRWVUGGUSA-N 2 1 282.472 3.318 20 30 CGEDMP CCCCCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000846935381 636288202 /nfs/dbraw/zinc/28/82/02/636288202.db2.gz FSISFDYQYPXONE-UHFFFAOYSA-N 2 1 284.488 3.172 20 30 CGEDMP C=CCC[C@H](Cc1ccccc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000883210668 636587792 /nfs/dbraw/zinc/58/77/92/636587792.db2.gz XHBNISGBFXMDET-LJQANCHMSA-N 2 1 284.447 3.415 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000924750994 638399682 /nfs/dbraw/zinc/39/96/82/638399682.db2.gz HZIGGZHSWDAXIK-LSDHHAIUSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000924750994 638399688 /nfs/dbraw/zinc/39/96/88/638399688.db2.gz HZIGGZHSWDAXIK-LSDHHAIUSA-N 2 1 279.472 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924990047 638435063 /nfs/dbraw/zinc/43/50/63/638435063.db2.gz XKCANAYJLZQLPQ-MRXNPFEDSA-N 2 1 264.457 3.441 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782308 638951431 /nfs/dbraw/zinc/95/14/31/638951431.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782308 638951433 /nfs/dbraw/zinc/95/14/33/638951433.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782308 638951435 /nfs/dbraw/zinc/95/14/35/638951435.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000929782308 638951437 /nfs/dbraw/zinc/95/14/37/638951437.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 2 1 285.435 3.090 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001252135668 806021582 /nfs/dbraw/zinc/02/15/82/806021582.db2.gz HIVWNMYBGSCBKS-SJORKVTESA-N 2 1 284.488 3.172 20 30 CGEDMP SCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130307 806549866 /nfs/dbraw/zinc/54/98/66/806549866.db2.gz SOEYSCWKDRFRQX-BJWYYQGGSA-N 2 1 290.476 3.092 20 30 CGEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393806 806633041 /nfs/dbraw/zinc/63/30/41/806633041.db2.gz RKDJKZWTBUNUFK-MOPGFXCFSA-N 2 1 284.447 3.433 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C)C[NH+](C)C)cc1 ZINC001163785046 806828230 /nfs/dbraw/zinc/82/82/30/806828230.db2.gz ASPYHQUAUASVHT-QAPCUYQASA-N 2 1 287.451 3.372 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])CC(C)C ZINC001246016170 804096914 /nfs/dbraw/zinc/09/69/14/804096914.db2.gz SIAYGMUBOFUZFP-JKSUJKDBSA-N 2 1 272.477 3.061 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001246014756 804098600 /nfs/dbraw/zinc/09/86/00/804098600.db2.gz CUVNQLVKBPBSGP-IRXDYDNUSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246287676 804260471 /nfs/dbraw/zinc/26/04/71/804260471.db2.gz KGZIGYLUNUBFMR-IRXDYDNUSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+][C@]1(CCO)CC[NH2+]C1 ZINC001246297948 804265533 /nfs/dbraw/zinc/26/55/33/804265533.db2.gz YHZXTPNIANAFQI-IRXDYDNUSA-N 2 1 284.488 3.220 20 30 CGEDMP C=C1CC=C(F)C=C1[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246335910 804291007 /nfs/dbraw/zinc/29/10/07/804291007.db2.gz KGBKFIZRRUPREW-UHFFFAOYSA-N 2 1 262.372 3.196 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246451569 804335049 /nfs/dbraw/zinc/33/50/49/804335049.db2.gz HREOLNCMHWJIOA-KRWDZBQOSA-N 3 1 285.520 3.434 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246453342 804336106 /nfs/dbraw/zinc/33/61/06/804336106.db2.gz NLVPPJZJAAFIIK-KRWDZBQOSA-N 3 1 285.520 3.434 20 30 CGEDMP C=CCOC1CCC([NH2+]C(C[NH3+])(CCC)CCC)CC1 ZINC001246507604 804365821 /nfs/dbraw/zinc/36/58/21/804365821.db2.gz ZBLVBHBVNGXDGJ-UHFFFAOYSA-N 2 1 282.472 3.388 20 30 CGEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246543038 804391249 /nfs/dbraw/zinc/39/12/49/804391249.db2.gz RMUYSWHWEYUBDY-LMDPOFIKSA-N 2 1 297.446 3.204 20 30 CGEDMP CCCCCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581112 804425865 /nfs/dbraw/zinc/42/58/65/804425865.db2.gz PLDZYPBBHQEXBQ-YESZJQIVSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246647713 804475671 /nfs/dbraw/zinc/47/56/71/804475671.db2.gz VERLSZZJTUNFAX-ZWKOTPCHSA-N 2 1 296.499 3.437 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684963 804496134 /nfs/dbraw/zinc/49/61/34/804496134.db2.gz YSOZCMFAQYTHOG-QXAKKESOSA-N 2 1 284.447 3.420 20 30 CGEDMP CCCCCCCC[N@@H+](C)[C@H]1CCC2(C[NH2+]C2)C1 ZINC001246767262 804501646 /nfs/dbraw/zinc/50/16/46/804501646.db2.gz BCZGLPQJJGOQKL-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CC[NH+](CC=C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246815261 804532233 /nfs/dbraw/zinc/53/22/33/804532233.db2.gz WUDJTRLEYINFSX-ROUUACIJSA-N 2 1 270.420 3.024 20 30 CGEDMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256958113 807016251 /nfs/dbraw/zinc/01/62/51/807016251.db2.gz ULURKXVPSIFPCN-UHFFFAOYSA-N 2 1 298.434 3.031 20 30 CGEDMP CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257436267 807154714 /nfs/dbraw/zinc/15/47/14/807154714.db2.gz SVQGEAJKPWVLRW-WBAXXEDZSA-N 2 1 285.435 3.429 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001258722743 807570976 /nfs/dbraw/zinc/57/09/76/807570976.db2.gz MUEJFYNLCNPORI-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001258722743 807570979 /nfs/dbraw/zinc/57/09/79/807570979.db2.gz MUEJFYNLCNPORI-HOCLYGCPSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@H](CCCC#N)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001172487234 808348200 /nfs/dbraw/zinc/34/82/00/808348200.db2.gz GMNZEXDXKZPSSK-JKSUJKDBSA-N 2 1 273.424 3.166 20 30 CGEDMP CCCCCCCC[C@H](CC)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001172504121 808359882 /nfs/dbraw/zinc/35/98/82/808359882.db2.gz VIVCXMAVDPFWTD-CVEARBPZSA-N 2 1 295.471 3.447 20 30 CGEDMP C=CCOC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001173319610 808610183 /nfs/dbraw/zinc/61/01/83/808610183.db2.gz OPUBLMNZFXNTRH-AOCRQIFASA-N 2 1 294.483 3.341 20 30 CGEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCC#N)Cc1ccccc12 ZINC001277948608 809108413 /nfs/dbraw/zinc/10/84/13/809108413.db2.gz LIKCOJBJABDKDY-UHFFFAOYSA-N 2 1 297.446 3.159 20 30 CGEDMP CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC001182497898 810112904 /nfs/dbraw/zinc/11/29/04/810112904.db2.gz FDJAXEKMYPLTEK-OAHLLOKOSA-N 2 1 285.435 3.283 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205304020 812942436 /nfs/dbraw/zinc/94/24/36/812942436.db2.gz MXWQCBKLRLHYJT-DOTOQJQBSA-N 2 1 288.435 3.058 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205616952 813026280 /nfs/dbraw/zinc/02/62/80/813026280.db2.gz HTDHPSUGOOFGMG-HZPDHXFCSA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205638986 813037849 /nfs/dbraw/zinc/03/78/49/813037849.db2.gz UGSGTQXHZPBTIO-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@H]1C[NH3+] ZINC001206003207 813161480 /nfs/dbraw/zinc/16/14/80/813161480.db2.gz FUTQBVQDAXYTNY-OLZOCXBDSA-N 2 1 291.826 3.018 20 30 CGEDMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001206801477 813439881 /nfs/dbraw/zinc/43/98/81/813439881.db2.gz WNUHMTUCZDLMOO-VQIMIIECSA-N 2 1 299.462 3.419 20 30 CGEDMP CCCCCCC/C=C/C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001208118439 813695719 /nfs/dbraw/zinc/69/57/19/813695719.db2.gz HAYDDCFOAZKAMO-ZHACJKMWSA-N 2 1 295.515 3.082 20 30 CGEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001209160788 813951438 /nfs/dbraw/zinc/95/14/38/813951438.db2.gz CCUUNVHCGNMYRG-CABCVRRESA-N 2 1 291.464 3.006 20 30 CGEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001209423811 814025617 /nfs/dbraw/zinc/02/56/17/814025617.db2.gz YTTXLTWAKHIXGR-KDURUIRLSA-N 2 1 299.462 3.192 20 30 CGEDMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(C#N)c1 ZINC001232966491 818485789 /nfs/dbraw/zinc/48/57/89/818485789.db2.gz NUJBRGPZEFZXAQ-UHFFFAOYSA-N 2 1 299.462 3.419 20 30 CGEDMP C[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccc(C#N)cc1 ZINC001235661985 819132412 /nfs/dbraw/zinc/13/24/12/819132412.db2.gz BKJWWNGFJPYXNU-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccc(C#N)cc1 ZINC001235661985 819132415 /nfs/dbraw/zinc/13/24/15/819132415.db2.gz BKJWWNGFJPYXNU-UHFFFAOYSA-N 2 1 285.435 3.302 20 30 CGEDMP CCCCCCCC[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235936409 819232763 /nfs/dbraw/zinc/23/27/63/819232763.db2.gz QZLAVFDANUJYSY-UHFFFAOYSA-N 2 1 284.488 3.437 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236068306 819300123 /nfs/dbraw/zinc/30/01/23/819300123.db2.gz XRSQWGBRNOKPFG-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373557 819442347 /nfs/dbraw/zinc/44/23/47/819442347.db2.gz ZFRASVVUFALDKG-OAHLLOKOSA-N 2 1 250.430 3.197 20 30 CGEDMP C#Cc1ccc(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552452 819534819 /nfs/dbraw/zinc/53/48/19/819534819.db2.gz QGDDKMJKTAHJBY-WGSAOQKQSA-N 2 1 284.447 3.396 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC001560488755 938260259 /nfs/dbraw/zinc/26/02/59/938260259.db2.gz QPMDFOKKPLVQDV-SJORKVTESA-N 2 1 264.457 3.136 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC001560488755 938260261 /nfs/dbraw/zinc/26/02/61/938260261.db2.gz QPMDFOKKPLVQDV-SJORKVTESA-N 2 1 264.457 3.136 20 30 CGEDMP C=CCC[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC001574901714 962336624 /nfs/dbraw/zinc/33/66/24/962336624.db2.gz PXWZDHIHQFNFBM-SJORKVTESA-N 2 1 288.435 3.168 20 30 CGEDMP CC(C)(C#N)c1ccccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC001575099498 962345927 /nfs/dbraw/zinc/34/59/27/962345927.db2.gz KZMHMCHDDXOJQO-INIZCTEOSA-N 2 1 285.435 3.191 20 30 CGEDMP CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC001575099498 962345953 /nfs/dbraw/zinc/34/59/53/962345953.db2.gz KZMHMCHDDXOJQO-INIZCTEOSA-N 2 1 285.435 3.191 20 30 CGEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C[NH3+])C(C)C ZINC001577526671 962556663 /nfs/dbraw/zinc/55/66/63/962556663.db2.gz BGLQZSDDLPKILB-KRWDZBQOSA-N 2 1 273.424 3.001 20 30 CGEDMP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC001580036495 962688806 /nfs/dbraw/zinc/68/88/06/962688806.db2.gz XCDOJUOUZHEQRI-RTBURBONSA-N 2 1 297.446 3.148 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090399094 345787417 /nfs/dbraw/zinc/78/74/17/345787417.db2.gz XPCWRCXANKDXDC-MJGOQNOKSA-N 2 1 284.447 3.433 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090399094 345787420 /nfs/dbraw/zinc/78/74/20/345787420.db2.gz XPCWRCXANKDXDC-MJGOQNOKSA-N 2 1 284.447 3.433 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000561983387 346659654 /nfs/dbraw/zinc/65/96/54/346659654.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000561983387 346659655 /nfs/dbraw/zinc/65/96/55/346659655.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000561983387 346659657 /nfs/dbraw/zinc/65/96/57/346659657.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000561983387 346659659 /nfs/dbraw/zinc/65/96/59/346659659.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 2 1 288.435 3.023 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594494821 347177598 /nfs/dbraw/zinc/17/75/98/347177598.db2.gz IFJCUMVBZFADOO-MRXNPFEDSA-N 2 1 297.446 3.062 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496858 347178177 /nfs/dbraw/zinc/17/81/77/347178177.db2.gz XUXXWVDPWMKLKG-QGZVFWFLSA-N 2 1 299.462 3.309 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594496071 347178718 /nfs/dbraw/zinc/17/87/18/347178718.db2.gz YUOBTXVIEWWINN-ZWKOTPCHSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000594496071 347178720 /nfs/dbraw/zinc/17/87/20/347178720.db2.gz YUOBTXVIEWWINN-ZWKOTPCHSA-N 2 1 297.446 3.204 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514731 347184836 /nfs/dbraw/zinc/18/48/36/347184836.db2.gz LCMOTHRWPMEIHR-RHSMWYFYSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514731 347184840 /nfs/dbraw/zinc/18/48/40/347184840.db2.gz LCMOTHRWPMEIHR-RHSMWYFYSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594515202 347185827 /nfs/dbraw/zinc/18/58/27/347185827.db2.gz LCMOTHRWPMEIHR-YOEHRIQHSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594515202 347185831 /nfs/dbraw/zinc/18/58/31/347185831.db2.gz LCMOTHRWPMEIHR-YOEHRIQHSA-N 2 1 283.419 3.010 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980837 347703265 /nfs/dbraw/zinc/70/32/65/347703265.db2.gz YPTXKADOMPTVHM-AWEZNQCLSA-N 2 1 291.826 3.174 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980837 347703267 /nfs/dbraw/zinc/70/32/67/347703267.db2.gz YPTXKADOMPTVHM-AWEZNQCLSA-N 2 1 291.826 3.174 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000599661343 347762192 /nfs/dbraw/zinc/76/21/92/347762192.db2.gz UNQONDFVYBMOEN-ZWKOTPCHSA-N 2 1 285.435 3.262 20 30 CGEDMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[NH2+]1 ZINC000600711121 347829287 /nfs/dbraw/zinc/82/92/87/347829287.db2.gz RCWJIWFORNYZBU-ZTRSQXPZSA-N 2 1 297.446 3.121 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514112 347973474 /nfs/dbraw/zinc/97/34/74/347973474.db2.gz MAGXOXGOMBAORW-RYTJFDOTSA-N 2 1 277.456 3.026 20 30 CGEDMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000602696904 348011159 /nfs/dbraw/zinc/01/11/59/348011159.db2.gz LRSLCXCDONZYIO-IOXAMRCBSA-N 2 1 297.446 3.004 20 30 CGEDMP C#CC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000271712128 191287362 /nfs/dbraw/zinc/28/73/62/191287362.db2.gz OOTSHMZBYMVFOQ-GOSISDBHSA-N 2 1 270.420 3.215 20 30 CGEDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900034 191398532 /nfs/dbraw/zinc/39/85/32/191398532.db2.gz AFMKHIPPWFFTND-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900034 191398535 /nfs/dbraw/zinc/39/85/35/191398535.db2.gz AFMKHIPPWFFTND-UONOGXRCSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000120768697 370799183 /nfs/dbraw/zinc/79/91/83/370799183.db2.gz FABJAYXVUDUFGW-SFHVURJKSA-N 2 1 285.435 3.016 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000153013047 371743783 /nfs/dbraw/zinc/74/37/83/371743783.db2.gz VBZKNNWSYJWELV-HNNXBMFYSA-N 2 1 252.446 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000153042179 371746187 /nfs/dbraw/zinc/74/61/87/371746187.db2.gz YBFLMQOQCKTTNJ-MRXNPFEDSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265124 372043704 /nfs/dbraw/zinc/04/37/04/372043704.db2.gz QRVLVVITVQFYIR-SJCJKPOMSA-N 2 1 289.398 3.256 20 30 CGEDMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000443978224 373163993 /nfs/dbraw/zinc/16/39/93/373163993.db2.gz KUNNFORNBDROFJ-KRWDZBQOSA-N 2 1 285.435 3.077 20 30 CGEDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331582 373681727 /nfs/dbraw/zinc/68/17/27/373681727.db2.gz ZYMWDFQWSNGDRI-FHERZECASA-N 2 1 265.445 3.169 20 30 CGEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331582 373681736 /nfs/dbraw/zinc/68/17/36/373681736.db2.gz ZYMWDFQWSNGDRI-FHERZECASA-N 2 1 265.445 3.169 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182059281 374211294 /nfs/dbraw/zinc/21/12/94/374211294.db2.gz QEQKEGRJGONKBV-INIZCTEOSA-N 2 1 272.436 3.105 20 30 CGEDMP C=CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471836041 375008286 /nfs/dbraw/zinc/00/82/86/375008286.db2.gz HPDJDFKFBAOEFD-MSOLQXFVSA-N 2 1 272.436 3.235 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000187714667 375078655 /nfs/dbraw/zinc/07/86/55/375078655.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187714667 375078664 /nfs/dbraw/zinc/07/86/64/375078664.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000187714667 375078670 /nfs/dbraw/zinc/07/86/70/375078670.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 2 1 283.419 3.035 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000193401784 375873181 /nfs/dbraw/zinc/87/31/81/375873181.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000193401784 375873184 /nfs/dbraw/zinc/87/31/84/375873184.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000193401784 375873187 /nfs/dbraw/zinc/87/31/87/375873187.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803020 375952204 /nfs/dbraw/zinc/95/22/04/375952204.db2.gz WVKWUNZJXIQJLR-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803020 375952209 /nfs/dbraw/zinc/95/22/09/375952209.db2.gz WVKWUNZJXIQJLR-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803020 375952210 /nfs/dbraw/zinc/95/22/10/375952210.db2.gz WVKWUNZJXIQJLR-HUUCEWRRSA-N 2 1 265.445 3.121 20 30 CGEDMP C=C(C)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248392796 377304128 /nfs/dbraw/zinc/30/41/28/377304128.db2.gz FZFQNBXSXLFPNM-VQFNDLOPSA-N 2 1 272.436 3.309 20 30 CGEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396404 377305811 /nfs/dbraw/zinc/30/58/11/377305811.db2.gz QBUVTAICKSLXRU-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396404 377305820 /nfs/dbraw/zinc/30/58/20/377305820.db2.gz QBUVTAICKSLXRU-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396404 377305833 /nfs/dbraw/zinc/30/58/33/377305833.db2.gz QBUVTAICKSLXRU-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396404 377305839 /nfs/dbraw/zinc/30/58/39/377305839.db2.gz QBUVTAICKSLXRU-PKOBYXMFSA-N 2 1 284.447 3.385 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249156854 377472778 /nfs/dbraw/zinc/47/27/78/377472778.db2.gz XDRZAEUUUQXAQX-QYZOEREBSA-N 2 1 297.446 3.180 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959246 377481238 /nfs/dbraw/zinc/48/12/38/377481238.db2.gz QNPVLBUYKNJWMO-GOSISDBHSA-N 2 1 297.446 3.467 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564959246 377481247 /nfs/dbraw/zinc/48/12/47/377481247.db2.gz QNPVLBUYKNJWMO-GOSISDBHSA-N 2 1 297.446 3.467 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000249280027 377485232 /nfs/dbraw/zinc/48/52/32/377485232.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249280027 377485236 /nfs/dbraw/zinc/48/52/36/377485236.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249280027 377485242 /nfs/dbraw/zinc/48/52/42/377485242.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 2 1 283.419 3.035 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000270584369 378371856 /nfs/dbraw/zinc/37/18/56/378371856.db2.gz DELWCQOEQKQKJF-UHFFFAOYSA-N 2 1 294.402 3.118 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000270584369 378371861 /nfs/dbraw/zinc/37/18/61/378371861.db2.gz DELWCQOEQKQKJF-UHFFFAOYSA-N 2 1 294.402 3.118 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000274791566 378896939 /nfs/dbraw/zinc/89/69/39/378896939.db2.gz CAZPCNRTWFJFKX-FUHWJXTLSA-N 2 1 299.462 3.426 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274880004 378913494 /nfs/dbraw/zinc/91/34/94/378913494.db2.gz ZNMLZBMUCSYLGL-WBVHZDCISA-N 2 1 258.409 3.063 20 30 CGEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894601 379346721 /nfs/dbraw/zinc/34/67/21/379346721.db2.gz XMSIHABTZRSGJN-SOLBZPMBSA-N 2 1 289.467 3.455 20 30 CGEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301772 379413590 /nfs/dbraw/zinc/41/35/90/379413590.db2.gz LBLQLLOCOITGPJ-LJQANCHMSA-N 2 1 295.430 3.132 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301772 379413599 /nfs/dbraw/zinc/41/35/99/379413599.db2.gz LBLQLLOCOITGPJ-LJQANCHMSA-N 2 1 295.430 3.132 20 30 CGEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301772 379413605 /nfs/dbraw/zinc/41/36/05/379413605.db2.gz LBLQLLOCOITGPJ-LJQANCHMSA-N 2 1 295.430 3.132 20 30 CGEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301772 379413615 /nfs/dbraw/zinc/41/36/15/379413615.db2.gz LBLQLLOCOITGPJ-LJQANCHMSA-N 2 1 295.430 3.132 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358326220 381304113 /nfs/dbraw/zinc/30/41/13/381304113.db2.gz ZMKYBUVKBCVUMD-UXLLHSPISA-N 2 1 258.409 3.204 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358326220 381304118 /nfs/dbraw/zinc/30/41/18/381304118.db2.gz ZMKYBUVKBCVUMD-UXLLHSPISA-N 2 1 258.409 3.204 20 30 CGEDMP C[NH+]1CCC2(CCC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000369705295 382392723 /nfs/dbraw/zinc/39/27/23/382392723.db2.gz WPFYQJLKCXLMIU-UHFFFAOYSA-N 2 1 277.456 3.124 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000194383720 130690401 /nfs/dbraw/zinc/69/04/01/130690401.db2.gz PAVOBVGUOSXJTB-INIZCTEOSA-N 2 1 272.436 3.420 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453381904 542682184 /nfs/dbraw/zinc/68/21/84/542682184.db2.gz XYJLVJXQGZUWOK-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453381904 542682188 /nfs/dbraw/zinc/68/21/88/542682188.db2.gz XYJLVJXQGZUWOK-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181717357 392735491 /nfs/dbraw/zinc/73/54/91/392735491.db2.gz PSSUDMGMFALGCB-HNNXBMFYSA-N 2 1 283.419 3.249 20 30 CGEDMP C=CCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426824365 393452277 /nfs/dbraw/zinc/45/22/77/393452277.db2.gz HSIZMDLASMKTMD-CALCHBBNSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000286306669 397671589 /nfs/dbraw/zinc/67/15/89/397671589.db2.gz XIHCZLWJRBMLPT-HNNXBMFYSA-N 2 1 260.381 3.138 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000249315621 287025272 /nfs/dbraw/zinc/02/52/72/287025272.db2.gz NNMFLLLWHNSADL-HZPDHXFCSA-N 2 1 285.435 3.473 20 30 CGEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000249315621 287025274 /nfs/dbraw/zinc/02/52/74/287025274.db2.gz NNMFLLLWHNSADL-HZPDHXFCSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CCOc1ccccc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523850 419297107 /nfs/dbraw/zinc/29/71/07/419297107.db2.gz LIPZDMINFCHQDK-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523850 419297108 /nfs/dbraw/zinc/29/71/08/419297108.db2.gz LIPZDMINFCHQDK-MRXNPFEDSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662299874 419388482 /nfs/dbraw/zinc/38/84/82/419388482.db2.gz YUFSHAAFSAEQFZ-OAHLLOKOSA-N 2 1 270.420 3.120 20 30 CGEDMP CC#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390863270 262355937 /nfs/dbraw/zinc/35/59/37/262355937.db2.gz OBFSLSBTESFLOV-YQQQUEKLSA-N 2 1 282.431 3.185 20 30 CGEDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423022991 278294044 /nfs/dbraw/zinc/29/40/44/278294044.db2.gz GKORQTAURAAHTO-YJBOKZPZSA-N 2 1 297.446 3.448 20 30 CGEDMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227451 /nfs/dbraw/zinc/22/74/51/328227451.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227452 /nfs/dbraw/zinc/22/74/52/328227452.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 2 1 297.446 3.133 20 30 CGEDMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227453 /nfs/dbraw/zinc/22/74/53/328227453.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 2 1 297.446 3.133 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000340732669 328399405 /nfs/dbraw/zinc/39/94/05/328399405.db2.gz AXYCOLISWTZFSD-HZPDHXFCSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732669 328399406 /nfs/dbraw/zinc/39/94/06/328399406.db2.gz AXYCOLISWTZFSD-HZPDHXFCSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559845885 327264735 /nfs/dbraw/zinc/26/47/35/327264735.db2.gz XEGQQEJKYDJSSN-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559845885 327264736 /nfs/dbraw/zinc/26/47/36/327264736.db2.gz XEGQQEJKYDJSSN-DLBZAZTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423109901 330170716 /nfs/dbraw/zinc/17/07/16/330170716.db2.gz TZHHPJUNKVBUBG-IAGOWNOFSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000551241898 334242621 /nfs/dbraw/zinc/24/26/21/334242621.db2.gz XHMLNSCQRYAPHM-IAGOWNOFSA-N 2 1 296.499 3.315 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877964 534080739 /nfs/dbraw/zinc/08/07/39/534080739.db2.gz CRTSFKWTVFFYMR-INIZCTEOSA-N 2 1 297.446 3.427 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000106245039 526604610 /nfs/dbraw/zinc/60/46/10/526604610.db2.gz BCLTWQZEVZOCFM-UHFFFAOYSA-N 2 1 283.419 3.298 20 30 CGEDMP C=CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931396 527233653 /nfs/dbraw/zinc/23/36/53/527233653.db2.gz LSVPNURILPFCEE-LSDHHAIUSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000892881247 618947961 /nfs/dbraw/zinc/94/79/61/618947961.db2.gz SULTTZFJTUXBME-QGZVFWFLSA-N 2 1 284.447 3.347 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247966819 619093532 /nfs/dbraw/zinc/09/35/32/619093532.db2.gz GXORRYAPTBYTDZ-JKSUJKDBSA-N 2 1 252.446 3.373 20 30 CGEDMP C#CCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121747 619421052 /nfs/dbraw/zinc/42/10/52/619421052.db2.gz UAOVZYRAFIECSD-KRWDZBQOSA-N 2 1 262.441 3.130 20 30 CGEDMP C[C@@H](CCC#N)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895682155 619872113 /nfs/dbraw/zinc/87/21/13/619872113.db2.gz CAEJEXSAMDTDED-INIZCTEOSA-N 2 1 265.445 3.124 20 30 CGEDMP C=CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000903098919 621571865 /nfs/dbraw/zinc/57/18/65/621571865.db2.gz VIJYTFBOVTUFFP-ZCTYVAAUSA-N 2 1 297.446 3.446 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446246 621758658 /nfs/dbraw/zinc/75/86/58/621758658.db2.gz UYOWCTUSNNCAKE-IEBWSBKVSA-N 2 1 297.446 3.139 20 30 CGEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903812596 621814492 /nfs/dbraw/zinc/81/44/92/621814492.db2.gz UNZKUQOJLZTRSP-GOSISDBHSA-N 2 1 297.446 3.084 20 30 CGEDMP C=CC[N@H+](C[C@H]([NH3+])CC(F)F)CC1CCCCC1 ZINC000903892709 621827831 /nfs/dbraw/zinc/82/78/31/621827831.db2.gz LWSMIMUZONMSNA-CYBMUJFWSA-N 2 1 260.372 3.037 20 30 CGEDMP C=CCCCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000806167640 630551490 /nfs/dbraw/zinc/55/14/90/630551490.db2.gz CNPWOEGLMKZLMG-JKSUJKDBSA-N 2 1 252.446 3.443 20 30 CGEDMP C=CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000817895447 632230778 /nfs/dbraw/zinc/23/07/78/632230778.db2.gz XZTPFSOLQTYUGC-OKZBNKHCSA-N 2 1 279.387 3.433 20 30 CGEDMP C#CCCCCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000876771807 634896373 /nfs/dbraw/zinc/89/63/73/634896373.db2.gz ZHOPZTWTPHAWSV-QGZVFWFLSA-N 2 1 264.457 3.234 20 30 CGEDMP C#CCCCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878046952 635337105 /nfs/dbraw/zinc/33/71/05/635337105.db2.gz CKKJKLQPWKPGKB-UHFFFAOYSA-N 2 1 264.457 3.232 20 30 CGEDMP C=C(Cl)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702595 635838872 /nfs/dbraw/zinc/83/88/72/635838872.db2.gz RHQRJIHWFCOSTQ-UHFFFAOYSA-N 2 1 258.837 3.039 20 30 CGEDMP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000883390254 636733940 /nfs/dbraw/zinc/73/39/40/636733940.db2.gz IOGFSCCFYXQBEB-PBHICJAKSA-N 2 1 299.418 3.158 20 30 CGEDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1[O-] ZINC000924616957 638376165 /nfs/dbraw/zinc/37/61/65/638376165.db2.gz HGIMCOXEEATXBA-INIZCTEOSA-N 2 1 289.423 3.035 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252132625 806018335 /nfs/dbraw/zinc/01/83/35/806018335.db2.gz KGZNWXPYTKMPKU-SFHVURJKSA-N 2 1 296.499 3.268 20 30 CGEDMP CC(C)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254506859 806427657 /nfs/dbraw/zinc/42/76/57/806427657.db2.gz BRMWHHHJDQCPCC-ZWKOTPCHSA-N 2 1 285.435 3.329 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254648752 806473295 /nfs/dbraw/zinc/47/32/95/806473295.db2.gz NUHJOZYSYKQSCM-MKXGPGLRSA-N 2 1 297.446 3.451 20 30 CGEDMP CC1([NH2+][C@H]2CC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254658464 806478621 /nfs/dbraw/zinc/47/86/21/806478621.db2.gz WJCOLTDMONHEBC-ROUUACIJSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC001255019619 806526980 /nfs/dbraw/zinc/52/69/80/806526980.db2.gz RURCURBEVGMFDT-BBRMVZONSA-N 2 1 285.391 3.032 20 30 CGEDMP Cc1ccc(C(=[NH2+])NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001255677547 806702992 /nfs/dbraw/zinc/70/29/92/806702992.db2.gz WHJJAJDCOLIZMT-ALOPSCKCSA-N 2 1 285.435 3.024 20 30 CGEDMP C#CC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256560187 806916136 /nfs/dbraw/zinc/91/61/36/806916136.db2.gz PSSSXTYISZRGTB-XLIONFOSSA-N 2 1 296.458 3.385 20 30 CGEDMP C#CC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256560187 806916144 /nfs/dbraw/zinc/91/61/44/806916144.db2.gz PSSSXTYISZRGTB-XLIONFOSSA-N 2 1 296.458 3.385 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020780 804099426 /nfs/dbraw/zinc/09/94/26/804099426.db2.gz MATSXLHZQORHCC-IAGOWNOFSA-N 2 1 284.488 3.301 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246026097 804100508 /nfs/dbraw/zinc/10/05/08/804100508.db2.gz ZHYSXSXTEFCQCG-QZTJIDSGSA-N 2 1 296.499 3.325 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246034083 804102363 /nfs/dbraw/zinc/10/23/63/804102363.db2.gz PSMIYPWWZJAUGF-FGTMMUONSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001246034083 804102367 /nfs/dbraw/zinc/10/23/67/804102367.db2.gz PSMIYPWWZJAUGF-FGTMMUONSA-N 2 1 296.499 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035187 804102475 /nfs/dbraw/zinc/10/24/75/804102475.db2.gz ZTEQGPWKYQZZCH-MSOLQXFVSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246035187 804102477 /nfs/dbraw/zinc/10/24/77/804102477.db2.gz ZTEQGPWKYQZZCH-MSOLQXFVSA-N 2 1 296.499 3.316 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246057178 804104806 /nfs/dbraw/zinc/10/48/06/804104806.db2.gz XTOFSCULHFCIIY-SJORKVTESA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C(C)C)[C@@H]1CC[NH2+]C1 ZINC001246057178 804104812 /nfs/dbraw/zinc/10/48/12/804104812.db2.gz XTOFSCULHFCIIY-SJORKVTESA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCC[C@H](CC)[NH2+]CCCC[NH+]1CCNCC1 ZINC001246090425 804121890 /nfs/dbraw/zinc/12/18/90/804121890.db2.gz XKLLARXCMGWYPZ-SFHVURJKSA-N 2 1 297.531 3.401 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](CC)C[C@H](C)CC ZINC001246313096 804274788 /nfs/dbraw/zinc/27/47/88/804274788.db2.gz RNXOBOFMUIMQBC-OAGGEKHMSA-N 2 1 298.471 3.018 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001246493437 804358519 /nfs/dbraw/zinc/35/85/19/804358519.db2.gz AVOSOBXHFHAXQE-OAHLLOKOSA-N 2 1 287.451 3.377 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CCCC[C@@](F)(C[NH3+])C3)C[C@H](C1)C2 ZINC001246575667 804422910 /nfs/dbraw/zinc/42/29/10/804422910.db2.gz IVYPZBGQWWETJQ-FCLJQHQZSA-N 2 1 280.431 3.274 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@@](F)(C[NH3+])C3)C[C@H](C1)C2 ZINC001246575667 804422913 /nfs/dbraw/zinc/42/29/13/804422913.db2.gz IVYPZBGQWWETJQ-FCLJQHQZSA-N 2 1 280.431 3.274 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246581111 804425977 /nfs/dbraw/zinc/42/59/77/804425977.db2.gz PLDZYPBBHQEXBQ-GVDBMIGSSA-N 2 1 284.488 3.157 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616674 804452256 /nfs/dbraw/zinc/45/22/56/804452256.db2.gz ADUFTLKLPNYQMY-DOTOQJQBSA-N 2 1 270.420 3.030 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642109 804469043 /nfs/dbraw/zinc/46/90/43/804469043.db2.gz LJVDEEDHXSHFPS-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840708 804549673 /nfs/dbraw/zinc/54/96/73/804549673.db2.gz JKDKOJUFIRYFIG-LVQVYYBASA-N 2 1 252.446 3.405 20 30 CGEDMP C=CC[N@@H+]([C@@H]1CCC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001246922034 804602639 /nfs/dbraw/zinc/60/26/39/804602639.db2.gz UOOLKXBXGGWIIM-CQSZACIVSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001258722410 807570843 /nfs/dbraw/zinc/57/08/43/807570843.db2.gz IDRTVLDOTSCOTH-AWEZNQCLSA-N 2 1 276.399 3.430 20 30 CGEDMP C=CCC[C@H](C)N(c1[nH+]cccc1C)C1CC[NH2+]CC1 ZINC001258736559 807582278 /nfs/dbraw/zinc/58/22/78/807582278.db2.gz WDFAYXDUSCQALF-HNNXBMFYSA-N 2 1 273.424 3.303 20 30 CGEDMP C[NH+](C)CCC[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376999 807832810 /nfs/dbraw/zinc/83/28/10/807832810.db2.gz UEGUUICKNAZAOW-UHFFFAOYSA-N 2 1 299.462 3.274 20 30 CGEDMP CC#CC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001170700633 807877629 /nfs/dbraw/zinc/87/76/29/807877629.db2.gz IJKKBCUSDAGNGY-UHFFFAOYSA-N 2 1 270.420 3.128 20 30 CGEDMP CC1(C)C[C@H]([NH2+]CCCS)CC[N@H+]1Cc1ccccc1 ZINC001171974392 808163203 /nfs/dbraw/zinc/16/32/03/808163203.db2.gz FMYVEOVMIGNXQO-MRXNPFEDSA-N 2 1 292.492 3.339 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983794 808164883 /nfs/dbraw/zinc/16/48/83/808164883.db2.gz QBSRSAKZLBHFCM-WBVHZDCISA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983794 808164887 /nfs/dbraw/zinc/16/48/87/808164887.db2.gz QBSRSAKZLBHFCM-WBVHZDCISA-N 2 1 270.420 3.041 20 30 CGEDMP CC1(C#N)CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001173593845 808649466 /nfs/dbraw/zinc/64/94/66/808649466.db2.gz WROPNWPYHKGSOW-GTPINHCMSA-N 2 1 277.456 3.300 20 30 CGEDMP C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918951 812775863 /nfs/dbraw/zinc/77/58/63/812775863.db2.gz QIGCKBABMLISTF-OSYLJGHBSA-N 2 1 264.457 3.430 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205296430 812938063 /nfs/dbraw/zinc/93/80/63/812938063.db2.gz PETIEAWBYLODMP-HZPDHXFCSA-N 2 1 252.446 3.430 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156250 813217454 /nfs/dbraw/zinc/21/74/54/813217454.db2.gz PJUSLFTVJOETJR-GJZGRUSLSA-N 2 1 256.409 3.274 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156250 813217456 /nfs/dbraw/zinc/21/74/56/813217456.db2.gz PJUSLFTVJOETJR-GJZGRUSLSA-N 2 1 256.409 3.274 20 30 CGEDMP C#Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168163 816368363 /nfs/dbraw/zinc/36/83/63/816368363.db2.gz WFFFDUGUVRVBDK-HXUWFJFHSA-N 2 1 296.458 3.414 20 30 CGEDMP CCCCCCCCCCCN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234980818 818970776 /nfs/dbraw/zinc/97/07/76/818970776.db2.gz KSIJFRPGVUYYCN-GOSISDBHSA-N 2 1 295.515 3.155 20 30 CGEDMP CCCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235224759 819040543 /nfs/dbraw/zinc/04/05/43/819040543.db2.gz OERDIRMBZMNNEN-STQMWFEESA-N 2 1 278.362 3.041 20 30 CGEDMP CCCCCCC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001235661920 819132261 /nfs/dbraw/zinc/13/22/61/819132261.db2.gz AISJGQNVUALNCT-QGZVFWFLSA-N 2 1 262.441 3.459 20 30 CGEDMP CCCCCCC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001235661920 819132265 /nfs/dbraw/zinc/13/22/65/819132265.db2.gz AISJGQNVUALNCT-QGZVFWFLSA-N 2 1 262.441 3.459 20 30 CGEDMP C=CCCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC001235812506 819174489 /nfs/dbraw/zinc/17/44/89/819174489.db2.gz YIRGTSLSHCCZSX-MUJYYYPQSA-N 2 1 250.430 3.467 20 30 CGEDMP C=C(C)C[N@H+](CC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235950301 819240116 /nfs/dbraw/zinc/24/01/16/819240116.db2.gz ZNJWGAQKPFGOJT-UHFFFAOYSA-N 2 1 283.419 3.143 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236068202 819298214 /nfs/dbraw/zinc/29/82/14/819298214.db2.gz VTOFWKDPGSIRQK-SCOAYWHSSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236287414 819414207 /nfs/dbraw/zinc/41/42/07/819414207.db2.gz TYGHZWWQHYYATC-UHFFFAOYSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCCCCCCC[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236409116 819456459 /nfs/dbraw/zinc/45/64/59/819456459.db2.gz XPKROBQELKPNJU-INIZCTEOSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236821550 819607316 /nfs/dbraw/zinc/60/73/16/819607316.db2.gz VKJSPVOWJBMJCI-XHSDSOJGSA-N 2 1 250.430 3.182 20 30 CGEDMP C=CCOc1ccccc1C[N@@H+](CCC)C[C@H]1CC[NH2+]C1 ZINC001236834916 819615766 /nfs/dbraw/zinc/61/57/66/819615766.db2.gz KFFZYNDDZQGEQS-INIZCTEOSA-N 2 1 288.435 3.073 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(C#N)cc1C ZINC001560812535 937238275 /nfs/dbraw/zinc/23/82/75/937238275.db2.gz WBDNDJMYGMYKOC-UHFFFAOYSA-N 2 1 287.451 3.339 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001461538946 937584746 /nfs/dbraw/zinc/58/47/46/937584746.db2.gz MRRMJJRBVFHREC-CLFYSBASSA-N 2 1 284.447 3.170 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1c(C)cc(C)cc1C ZINC001461538946 937584747 /nfs/dbraw/zinc/58/47/47/937584747.db2.gz MRRMJJRBVFHREC-CLFYSBASSA-N 2 1 284.447 3.170 20 30 CGEDMP CCCCCCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001307879624 933013926 /nfs/dbraw/zinc/01/39/26/933013926.db2.gz QKZCZRAYHDNQIS-KRWDZBQOSA-N 2 1 284.488 3.126 20 30 CGEDMP C#Cc1ccc(C[N@@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC001462662159 937657703 /nfs/dbraw/zinc/65/77/03/937657703.db2.gz DOMXWFRDXFAFSY-UHFFFAOYSA-N 2 1 270.420 3.020 20 30 CGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1CCC[NH3+] ZINC001579422753 962630940 /nfs/dbraw/zinc/63/09/40/962630940.db2.gz BOCGNYOXWPWNOA-CXAGYDPISA-N 2 1 289.398 3.037 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000651672935 398266608 /nfs/dbraw/zinc/26/66/08/398266608.db2.gz PUOKFXSSXMNYRK-NUEKZKHPSA-N 2 1 261.413 3.162 20 30 CGEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591245150 346911570 /nfs/dbraw/zinc/91/15/70/346911570.db2.gz VHMVEZXHCHSWFC-BEFAXECRSA-N 2 1 297.446 3.257 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000091512159 345817874 /nfs/dbraw/zinc/81/78/74/345817874.db2.gz FNZSNIVYFFZZJT-JKSUJKDBSA-N 2 1 250.430 3.149 20 30 CGEDMP CC[N@@H+](CCC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661270 347102170 /nfs/dbraw/zinc/10/21/70/347102170.db2.gz VXLZHNGMSLSZNJ-CVEARBPZSA-N 2 1 277.456 3.313 20 30 CGEDMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058891 347378265 /nfs/dbraw/zinc/37/82/65/347378265.db2.gz LFIBSNDNNQDEDF-GOSISDBHSA-N 2 1 297.446 3.078 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C#N ZINC000599331082 347736181 /nfs/dbraw/zinc/73/61/81/347736181.db2.gz GHOPNCMFRGTQBH-QAPCUYQASA-N 2 1 294.402 3.146 20 30 CGEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000602451647 347960179 /nfs/dbraw/zinc/96/01/79/347960179.db2.gz RBKRFQKDYDDFSD-MSOLQXFVSA-N 2 1 291.483 3.370 20 30 CGEDMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C#N)CC1)CC(C)C ZINC000602510653 347972562 /nfs/dbraw/zinc/97/25/62/347972562.db2.gz LIZDJYMQDHWQOP-OFLPRAFFSA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514022 347973426 /nfs/dbraw/zinc/97/34/26/347973426.db2.gz KBDQYAGUMRFVPU-KLAILNCOSA-N 2 1 277.456 3.170 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000602517690 347974444 /nfs/dbraw/zinc/97/44/44/347974444.db2.gz DLTQVFIFTIFLNA-XHSDSOJGSA-N 2 1 265.445 3.026 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000154321395 188135645 /nfs/dbraw/zinc/13/56/45/188135645.db2.gz KMLKBHNQXLBWHP-CQSZACIVSA-N 2 1 283.419 3.083 20 30 CGEDMP CCC(CC)CN(CCC#N)CC[C@@H]1CCC[N@H+]1C ZINC000124935057 370929186 /nfs/dbraw/zinc/92/91/86/370929186.db2.gz QNPFJQSIMXLHBM-INIZCTEOSA-N 2 1 265.445 3.123 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000067121620 369711737 /nfs/dbraw/zinc/71/17/37/369711737.db2.gz IDJNBJTUJMXRDB-UHFFFAOYSA-N 2 1 276.399 3.264 20 30 CGEDMP CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134869693 371370188 /nfs/dbraw/zinc/37/01/88/371370188.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869693 371370192 /nfs/dbraw/zinc/37/01/92/371370192.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP CC(C)(C#N)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869693 371370194 /nfs/dbraw/zinc/37/01/94/371370194.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 2 1 289.467 3.265 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159317169 372130416 /nfs/dbraw/zinc/13/04/16/372130416.db2.gz MJJSCNWTVUFDNU-OALUTQOASA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159317169 372130422 /nfs/dbraw/zinc/13/04/22/372130422.db2.gz MJJSCNWTVUFDNU-OALUTQOASA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159317169 372130431 /nfs/dbraw/zinc/13/04/31/372130431.db2.gz MJJSCNWTVUFDNU-OALUTQOASA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159317169 372130433 /nfs/dbraw/zinc/13/04/33/372130433.db2.gz MJJSCNWTVUFDNU-OALUTQOASA-N 2 1 297.446 3.277 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000449104237 373662085 /nfs/dbraw/zinc/66/20/85/373662085.db2.gz FHBJOPLRCUCTIM-CVEARBPZSA-N 2 1 252.446 3.443 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000245949341 376942574 /nfs/dbraw/zinc/94/25/74/376942574.db2.gz WEEFCDIVKYVRKZ-NVXWUHKLSA-N 2 1 285.435 3.329 20 30 CGEDMP C=CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246238090 376994832 /nfs/dbraw/zinc/99/48/32/376994832.db2.gz UIKLBNTXNABWIZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246238090 376994845 /nfs/dbraw/zinc/99/48/45/376994845.db2.gz UIKLBNTXNABWIZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246238090 376994855 /nfs/dbraw/zinc/99/48/55/376994855.db2.gz UIKLBNTXNABWIZ-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCC#N)C2)s1 ZINC000568566634 377519440 /nfs/dbraw/zinc/51/94/40/377519440.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCC#N)C2)s1 ZINC000568566634 377519445 /nfs/dbraw/zinc/51/94/45/377519445.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCC#N)C2)s1 ZINC000568566634 377519455 /nfs/dbraw/zinc/51/94/55/377519455.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 2 1 291.464 3.114 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCC#N)C2)s1 ZINC000568566634 377519459 /nfs/dbraw/zinc/51/94/59/377519459.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 2 1 291.464 3.114 20 30 CGEDMP C[N@H+](CCC[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000093492234 249037429 /nfs/dbraw/zinc/03/74/29/249037429.db2.gz XWFBZCYBWABSPF-UHFFFAOYSA-N 2 1 291.464 3.364 20 30 CGEDMP C[N@@H+](CCC[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000093492234 249037430 /nfs/dbraw/zinc/03/74/30/249037430.db2.gz XWFBZCYBWABSPF-UHFFFAOYSA-N 2 1 291.464 3.364 20 30 CGEDMP C=CC[C@@H]1[N@H+](C[C@@H]2CCC[NH2+]C2)CCCC1(C)C ZINC000261875525 377862729 /nfs/dbraw/zinc/86/27/29/377862729.db2.gz VQIWYFJHGLWPRC-CABCVRRESA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC000638524084 378826619 /nfs/dbraw/zinc/82/66/19/378826619.db2.gz KUWAQPBDYWFPQV-UHFFFAOYSA-N 2 1 272.436 3.168 20 30 CGEDMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(C#N)cc1 ZINC000278641883 194080732 /nfs/dbraw/zinc/08/07/32/194080732.db2.gz HOVZMNMHIJJLRH-KBXCAEBGSA-N 2 1 296.418 3.440 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277319122 379130218 /nfs/dbraw/zinc/13/02/18/379130218.db2.gz BZIGZHLRCNPDGO-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277319122 379130222 /nfs/dbraw/zinc/13/02/22/379130222.db2.gz BZIGZHLRCNPDGO-QGZVFWFLSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414309707 380211303 /nfs/dbraw/zinc/21/13/03/380211303.db2.gz YLTSFDCTAZYZRF-GOSISDBHSA-N 2 1 284.447 3.390 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420317151 380847229 /nfs/dbraw/zinc/84/72/29/380847229.db2.gz NKQAQSWCYMNXCR-MRXNPFEDSA-N 2 1 258.409 3.064 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420318292 380849115 /nfs/dbraw/zinc/84/91/15/380849115.db2.gz OJAZMZJHVVZOGO-SFHVURJKSA-N 2 1 272.436 3.107 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358309243 381304010 /nfs/dbraw/zinc/30/40/10/381304010.db2.gz WWZNMSCHBCFOKS-OLZOCXBDSA-N 2 1 255.365 3.406 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361431161 381743567 /nfs/dbraw/zinc/74/35/67/381743567.db2.gz CJZGXRLCJOHMMM-FUHWJXTLSA-N 2 1 297.446 3.323 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361431161 381743575 /nfs/dbraw/zinc/74/35/75/381743575.db2.gz CJZGXRLCJOHMMM-FUHWJXTLSA-N 2 1 297.446 3.323 20 30 CGEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155976116 392545107 /nfs/dbraw/zinc/54/51/07/392545107.db2.gz QBUVTAICKSLXRU-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155976116 392545112 /nfs/dbraw/zinc/54/51/12/392545112.db2.gz QBUVTAICKSLXRU-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155976116 392545118 /nfs/dbraw/zinc/54/51/18/392545118.db2.gz QBUVTAICKSLXRU-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155976116 392545122 /nfs/dbraw/zinc/54/51/22/392545122.db2.gz QBUVTAICKSLXRU-IEBWSBKVSA-N 2 1 284.447 3.385 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193132274 392871611 /nfs/dbraw/zinc/87/16/11/392871611.db2.gz JHHWPPAHNLNQOT-ZBFHGGJFSA-N 2 1 264.457 3.441 20 30 CGEDMP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339078523 392944816 /nfs/dbraw/zinc/94/48/16/392944816.db2.gz DAJBXPMWTXSQOB-JCHJZTRSSA-N 2 1 297.446 3.179 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000662298322 419387363 /nfs/dbraw/zinc/38/73/63/419387363.db2.gz BFIGGHQCVWCLRP-DOTOQJQBSA-N 2 1 288.435 3.026 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000449131160 260237168 /nfs/dbraw/zinc/23/71/68/260237168.db2.gz KKUIZDGQNXPTSM-KRWDZBQOSA-N 2 1 294.483 3.356 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361459629 261278324 /nfs/dbraw/zinc/27/83/24/261278324.db2.gz NNTXRFVWSGJVOY-ZACQAIPSSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317152 263110272 /nfs/dbraw/zinc/11/02/72/263110272.db2.gz UEXGSNVYWKHDNE-QZTJIDSGSA-N 2 1 288.435 3.004 20 30 CGEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317152 263110273 /nfs/dbraw/zinc/11/02/73/263110273.db2.gz UEXGSNVYWKHDNE-QZTJIDSGSA-N 2 1 288.435 3.004 20 30 CGEDMP C[N@@H+](CCC[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185761098 329331306 /nfs/dbraw/zinc/33/13/06/329331306.db2.gz CKZLOLWNUCCUEM-ROUUACIJSA-N 2 1 285.435 3.180 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647733 330145237 /nfs/dbraw/zinc/14/52/37/330145237.db2.gz KWGAYKKUYYSTNY-KBAYOESNSA-N 2 1 270.420 3.041 20 30 CGEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647733 330145238 /nfs/dbraw/zinc/14/52/38/330145238.db2.gz KWGAYKKUYYSTNY-KBAYOESNSA-N 2 1 270.420 3.041 20 30 CGEDMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423301181 330188973 /nfs/dbraw/zinc/18/89/73/330188973.db2.gz SQSWKRTYBWWFLS-XBMUEBEBSA-N 2 1 299.462 3.498 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423341615 330192028 /nfs/dbraw/zinc/19/20/28/330192028.db2.gz MOCCRNFJAQLGQJ-GDBMZVCRSA-N 2 1 262.397 3.266 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459405022 331280162 /nfs/dbraw/zinc/28/01/62/331280162.db2.gz RWPLCPHDXLGZSN-UHFFFAOYSA-N 2 1 278.827 3.123 20 30 CGEDMP CC#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000462321779 331319674 /nfs/dbraw/zinc/31/96/74/331319674.db2.gz WNMPFVLAJSAACO-VQTJNVASSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321779 331319675 /nfs/dbraw/zinc/31/96/75/331319675.db2.gz WNMPFVLAJSAACO-VQTJNVASSA-N 2 1 296.458 3.386 20 30 CGEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321779 331319676 /nfs/dbraw/zinc/31/96/76/331319676.db2.gz WNMPFVLAJSAACO-VQTJNVASSA-N 2 1 296.458 3.386 20 30 CGEDMP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CCCCC1 ZINC000174275173 335151866 /nfs/dbraw/zinc/15/18/66/335151866.db2.gz BOTVTGXMKRPJPD-INIZCTEOSA-N 2 1 279.472 3.416 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248391937 334299832 /nfs/dbraw/zinc/29/98/32/334299832.db2.gz DVBORSGEXKXQMJ-NCXUSEDFSA-N 2 1 297.446 3.179 20 30 CGEDMP CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248391937 334299833 /nfs/dbraw/zinc/29/98/33/334299833.db2.gz DVBORSGEXKXQMJ-NCXUSEDFSA-N 2 1 297.446 3.179 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181717856 335780389 /nfs/dbraw/zinc/78/03/89/335780389.db2.gz FOKLDOJIAUFZGT-SJORKVTESA-N 2 1 294.483 3.210 20 30 CGEDMP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000793520698 629473964 /nfs/dbraw/zinc/47/39/64/629473964.db2.gz HJVSYEVJEUMBQJ-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000926963026 620555694 /nfs/dbraw/zinc/55/56/94/620555694.db2.gz BVPWHKQTUAIWMF-UHFFFAOYSA-N 2 1 285.435 3.219 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000902742162 621421644 /nfs/dbraw/zinc/42/16/44/621421644.db2.gz KZFIZTWRVZQUJA-QAPCUYQASA-N 2 1 283.419 3.083 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@]1(C)CCCCO1 ZINC000902753655 621425136 /nfs/dbraw/zinc/42/51/36/621425136.db2.gz RPNUASOPEHLLLV-BZSNNMDCSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)[C@]1(C)CCCCO1 ZINC000902783190 621439956 /nfs/dbraw/zinc/43/99/56/621439956.db2.gz ZYQSSDLRGGMITI-IRXDYDNUSA-N 2 1 291.439 3.075 20 30 CGEDMP N#CC1(CCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCC1 ZINC000903750031 621799819 /nfs/dbraw/zinc/79/98/19/621799819.db2.gz UBSMHYPZMPQISI-IRXDYDNUSA-N 2 1 289.467 3.172 20 30 CGEDMP N#CC1(CCCC[N@H+]2CC[NH2+]CCC23CCC3)CCC1 ZINC000903782255 621806831 /nfs/dbraw/zinc/80/68/31/621806831.db2.gz IGHIPAWBBKUPEF-UHFFFAOYSA-N 2 1 275.440 3.069 20 30 CGEDMP C[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1cccc(C#N)c1 ZINC000904386281 621917561 /nfs/dbraw/zinc/91/75/61/621917561.db2.gz VMCRLSOLSJNVFN-BBRMVZONSA-N 2 1 273.424 3.362 20 30 CGEDMP C#C[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000839583772 626763051 /nfs/dbraw/zinc/76/30/51/626763051.db2.gz NNUOMYIKQXAVQD-MRXNPFEDSA-N 2 1 270.420 3.126 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685511 626767250 /nfs/dbraw/zinc/76/72/50/626767250.db2.gz XMDFREPYEDCAGA-UHOSZYNNSA-N 2 1 284.447 3.287 20 30 CGEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000809685511 626767258 /nfs/dbraw/zinc/76/72/58/626767258.db2.gz XMDFREPYEDCAGA-UHOSZYNNSA-N 2 1 284.447 3.287 20 30 CGEDMP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000793539722 629479813 /nfs/dbraw/zinc/47/98/13/629479813.db2.gz GVLIPTFZXSCDPA-HZPDHXFCSA-N 2 1 252.446 3.443 20 30 CGEDMP CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796856943 629849481 /nfs/dbraw/zinc/84/94/81/629849481.db2.gz OMSSDWKKDHMKCA-OAGGEKHMSA-N 2 1 252.446 3.419 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178633 630152985 /nfs/dbraw/zinc/15/29/85/630152985.db2.gz ZGBIGTFCSQPIMA-UHFFFAOYSA-N 2 1 297.446 3.175 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000809594902 630755906 /nfs/dbraw/zinc/75/59/06/630755906.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594902 630755910 /nfs/dbraw/zinc/75/59/10/630755910.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594902 630755914 /nfs/dbraw/zinc/75/59/14/630755914.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 2 1 294.442 3.117 20 30 CGEDMP C#C[C@@H](CC)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000809686181 630781631 /nfs/dbraw/zinc/78/16/31/630781631.db2.gz YJPBJIHISFTBDJ-KRWDZBQOSA-N 2 1 272.436 3.146 20 30 CGEDMP C#C[C@@H](CC)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809686181 630781637 /nfs/dbraw/zinc/78/16/37/630781637.db2.gz YJPBJIHISFTBDJ-KRWDZBQOSA-N 2 1 272.436 3.146 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000815652736 631813567 /nfs/dbraw/zinc/81/35/67/631813567.db2.gz PTMJEKDKOLIXKT-ROUUACIJSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000815652736 631813573 /nfs/dbraw/zinc/81/35/73/631813573.db2.gz PTMJEKDKOLIXKT-ROUUACIJSA-N 2 1 288.410 3.007 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000815652176 631813961 /nfs/dbraw/zinc/81/39/61/631813961.db2.gz SCOYREHBYCWPNW-OAHLLOKOSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000815652176 631813964 /nfs/dbraw/zinc/81/39/64/631813964.db2.gz SCOYREHBYCWPNW-OAHLLOKOSA-N 2 1 290.476 3.404 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000817959388 632255254 /nfs/dbraw/zinc/25/52/54/632255254.db2.gz CRDYQNIBBNHMSP-LBPRGKRZSA-N 2 1 282.815 3.206 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000817964690 632260351 /nfs/dbraw/zinc/26/03/51/632260351.db2.gz FFUDZXPEGKKNJU-BLLLJJGKSA-N 2 1 294.826 3.206 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872032841 633952088 /nfs/dbraw/zinc/95/20/88/633952088.db2.gz AZVHPYCCDVSBMG-IAGOWNOFSA-N 2 1 294.483 3.210 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877070845 634971398 /nfs/dbraw/zinc/97/13/98/634971398.db2.gz XDXZKTKFOYKSPZ-MJGOQNOKSA-N 2 1 282.431 3.358 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877070845 634971403 /nfs/dbraw/zinc/97/14/03/634971403.db2.gz XDXZKTKFOYKSPZ-MJGOQNOKSA-N 2 1 282.431 3.358 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000877733026 635167082 /nfs/dbraw/zinc/16/70/82/635167082.db2.gz NIGPAPVOAYUWSZ-RDJZCZTQSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000877733026 635167084 /nfs/dbraw/zinc/16/70/84/635167084.db2.gz NIGPAPVOAYUWSZ-RDJZCZTQSA-N 2 1 277.456 3.313 20 30 CGEDMP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000880255236 635958111 /nfs/dbraw/zinc/95/81/11/635958111.db2.gz FICZHFYEFWOKID-INIZCTEOSA-N 2 1 277.456 3.409 20 30 CGEDMP CCCCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848537312 636594681 /nfs/dbraw/zinc/59/46/81/636594681.db2.gz DSYJCMOCFJZBGY-QGZVFWFLSA-N 2 1 282.472 3.190 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000924662241 638385236 /nfs/dbraw/zinc/38/52/36/638385236.db2.gz SXGCMNBFQPSCQZ-RBSFLKMASA-N 2 1 265.445 3.167 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000924662241 638385241 /nfs/dbraw/zinc/38/52/41/638385241.db2.gz SXGCMNBFQPSCQZ-RBSFLKMASA-N 2 1 265.445 3.167 20 30 CGEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCC(C#N)CC1 ZINC000929722809 638945206 /nfs/dbraw/zinc/94/52/06/638945206.db2.gz PXAACIRVQKAJEC-OFLPRAFFSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCC(C#N)CC1 ZINC000929722809 638945208 /nfs/dbraw/zinc/94/52/08/638945208.db2.gz PXAACIRVQKAJEC-OFLPRAFFSA-N 2 1 277.456 3.123 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCC(C#N)CC1 ZINC000929722809 638945211 /nfs/dbraw/zinc/94/52/11/638945211.db2.gz PXAACIRVQKAJEC-OFLPRAFFSA-N 2 1 277.456 3.123 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403277 640755830 /nfs/dbraw/zinc/75/58/30/640755830.db2.gz OIRASKUVTRMHJL-XUVXKRRUSA-N 2 1 296.458 3.290 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001252130695 806018786 /nfs/dbraw/zinc/01/87/86/806018786.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252130695 806018795 /nfs/dbraw/zinc/01/87/95/806018795.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252130695 806018803 /nfs/dbraw/zinc/01/88/03/806018803.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 2 1 296.499 3.126 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001252133625 806020815 /nfs/dbraw/zinc/02/08/15/806020815.db2.gz KDMXRGHCAJRKKM-SJORKVTESA-N 2 1 284.488 3.029 20 30 CGEDMP C=CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254513636 806435253 /nfs/dbraw/zinc/43/52/53/806435253.db2.gz DTUBSGZPYKBPCQ-IAGOWNOFSA-N 2 1 258.409 3.378 20 30 CGEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516497 806435894 /nfs/dbraw/zinc/43/58/94/806435894.db2.gz NEMNXGKWUOWWLC-SFHVURJKSA-N 2 1 297.446 3.028 20 30 CGEDMP CC1([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254658463 806477995 /nfs/dbraw/zinc/47/79/95/806477995.db2.gz WJCOLTDMONHEBC-QZTJIDSGSA-N 2 1 297.446 3.323 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481898 /nfs/dbraw/zinc/48/18/98/806481898.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481902 /nfs/dbraw/zinc/48/19/02/806481902.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 2 1 275.440 3.017 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254672055 806481906 /nfs/dbraw/zinc/48/19/06/806481906.db2.gz WWXJTBGBHSWAOV-QZWWFDLISA-N 2 1 275.440 3.017 20 30 CGEDMP C=C[C@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC001255019621 806527585 /nfs/dbraw/zinc/52/75/85/806527585.db2.gz RURCURBEVGMFDT-CZUORRHYSA-N 2 1 285.391 3.032 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000695862737 799835659 /nfs/dbraw/zinc/83/56/59/799835659.db2.gz GJNVBTVRUFOVGO-SJLPKXTDSA-N 2 1 299.462 3.426 20 30 CGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000695859647 799835813 /nfs/dbraw/zinc/83/58/13/799835813.db2.gz PEFCMSMVCKQJLC-MRXNPFEDSA-N 2 1 287.451 3.426 20 30 CGEDMP C[C@H](CCC#N)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908522 /nfs/dbraw/zinc/90/85/22/799908522.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908528 /nfs/dbraw/zinc/90/85/28/799908528.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908534 /nfs/dbraw/zinc/90/85/34/799908534.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 2 1 297.446 3.133 20 30 CGEDMP C[C@H](CCC#N)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908539 /nfs/dbraw/zinc/90/85/39/799908539.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 2 1 297.446 3.133 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256530000 806910783 /nfs/dbraw/zinc/91/07/83/806910783.db2.gz HNYUGQJBLXWHBW-YTQUADARSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@](C)(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256530000 806910785 /nfs/dbraw/zinc/91/07/85/806910785.db2.gz HNYUGQJBLXWHBW-YTQUADARSA-N 2 1 284.447 3.431 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553522 806914163 /nfs/dbraw/zinc/91/41/63/806914163.db2.gz HXVPDIPFWPWXLD-NLWGTHIKSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553522 806914167 /nfs/dbraw/zinc/91/41/67/806914167.db2.gz HXVPDIPFWPWXLD-NLWGTHIKSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553522 806914171 /nfs/dbraw/zinc/91/41/71/806914171.db2.gz HXVPDIPFWPWXLD-NLWGTHIKSA-N 2 1 296.458 3.385 20 30 CGEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553522 806914173 /nfs/dbraw/zinc/91/41/73/806914173.db2.gz HXVPDIPFWPWXLD-NLWGTHIKSA-N 2 1 296.458 3.385 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001138549416 803963106 /nfs/dbraw/zinc/96/31/06/803963106.db2.gz WLUCCPXWIAIWOL-INIZCTEOSA-N 2 1 294.402 3.306 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001138549416 803963114 /nfs/dbraw/zinc/96/31/14/803963114.db2.gz WLUCCPXWIAIWOL-INIZCTEOSA-N 2 1 294.402 3.306 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001138549418 803964685 /nfs/dbraw/zinc/96/46/85/803964685.db2.gz WLUCCPXWIAIWOL-MRXNPFEDSA-N 2 1 294.402 3.306 20 30 CGEDMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001138549418 803964693 /nfs/dbraw/zinc/96/46/93/803964693.db2.gz WLUCCPXWIAIWOL-MRXNPFEDSA-N 2 1 294.402 3.306 20 30 CGEDMP C=CC[NH+](CC=C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547237 803964840 /nfs/dbraw/zinc/96/48/40/803964840.db2.gz IKDNECLYXFSAMG-UHFFFAOYSA-N 2 1 267.376 3.355 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246027835 804100312 /nfs/dbraw/zinc/10/03/12/804100312.db2.gz YTJUUYQXPPJDTN-SQNIBIBYSA-N 2 1 296.499 3.181 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026997 804101090 /nfs/dbraw/zinc/10/10/90/804101090.db2.gz GUEBLARFHIOTAM-ROUUACIJSA-N 2 1 294.483 3.092 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246026997 804101094 /nfs/dbraw/zinc/10/10/94/804101094.db2.gz GUEBLARFHIOTAM-ROUUACIJSA-N 2 1 294.483 3.092 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001246059877 804103913 /nfs/dbraw/zinc/10/39/13/804103913.db2.gz CBNLYXVKYNJHHY-BBWFWOEESA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246045503 804104743 /nfs/dbraw/zinc/10/47/43/804104743.db2.gz KTWFXQQKBBMFDR-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001246045503 804104750 /nfs/dbraw/zinc/10/47/50/804104750.db2.gz KTWFXQQKBBMFDR-DLBZAZTESA-N 2 1 284.488 3.172 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H]([NH3+])COC ZINC001246238100 804229718 /nfs/dbraw/zinc/22/97/18/804229718.db2.gz DJWZADKOXNPKGT-CVEARBPZSA-N 2 1 272.477 3.325 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246241603 804233269 /nfs/dbraw/zinc/23/32/69/804233269.db2.gz TVBBWFOVAGKVGF-GJZGRUSLSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])COC ZINC001246242013 804234130 /nfs/dbraw/zinc/23/41/30/804234130.db2.gz VZYCQCXFSCTGSB-HZPDHXFCSA-N 2 1 272.477 3.469 20 30 CGEDMP CCCCCCC[C@H](CCC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246300153 804265588 /nfs/dbraw/zinc/26/55/88/804265588.db2.gz LVPCQUQMORYFDJ-LSDHHAIUSA-N 3 1 257.466 3.129 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246302025 804268785 /nfs/dbraw/zinc/26/87/85/804268785.db2.gz ZVECQYXXCOELFC-BBWFWOEESA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246320055 804279156 /nfs/dbraw/zinc/27/91/56/804279156.db2.gz ZAWGPSQITKQKRJ-RBSFLKMASA-N 2 1 274.408 3.043 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246326935 804284020 /nfs/dbraw/zinc/28/40/20/804284020.db2.gz PUBWHJTWRMZPSY-SJORKVTESA-N 2 1 270.420 3.119 20 30 CGEDMP CCCCCCCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246580321 804426627 /nfs/dbraw/zinc/42/66/27/804426627.db2.gz MWPSTGXPMPGUJN-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001246629282 804460797 /nfs/dbraw/zinc/46/07/97/804460797.db2.gz YMVKZTVJBKAEDX-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)C[C@H](C1)C2 ZINC001246697160 804499419 /nfs/dbraw/zinc/49/94/19/804499419.db2.gz WEPQFDNNGFWIHR-CIQAELJKSA-N 2 1 292.442 3.145 20 30 CGEDMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768093 804500865 /nfs/dbraw/zinc/50/08/65/804500865.db2.gz FDTCBKKTZXHKKV-MSOLQXFVSA-N 2 1 285.435 3.301 20 30 CGEDMP CCCCCCC[N@@H+](C)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246777549 804506739 /nfs/dbraw/zinc/50/67/39/804506739.db2.gz NAXBTQHJCZQMDO-UHFFFAOYSA-N 2 1 282.472 3.190 20 30 CGEDMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(C#N)CC1 ZINC001256971683 807019979 /nfs/dbraw/zinc/01/99/79/807019979.db2.gz LKBSXORNIYRNKT-UHFFFAOYSA-N 2 1 294.402 3.386 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258050208 807274865 /nfs/dbraw/zinc/27/48/65/807274865.db2.gz ROKAXLNYZMVYRK-OAGGEKHMSA-N 2 1 252.446 3.229 20 30 CGEDMP C#CC(CC)(CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258134172 807319757 /nfs/dbraw/zinc/31/97/57/807319757.db2.gz YCBRKWVLAAUOBJ-UHFFFAOYSA-N 2 1 298.474 3.475 20 30 CGEDMP C=CCC[C@H](C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001258728237 807574988 /nfs/dbraw/zinc/57/49/88/807574988.db2.gz NJODZKABHGWIOL-HOTGVXAUSA-N 2 1 294.483 3.353 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300517 808220808 /nfs/dbraw/zinc/22/08/08/808220808.db2.gz WLDWFWXYRIULMT-YJBOKZPZSA-N 2 1 299.462 3.342 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172300517 808220810 /nfs/dbraw/zinc/22/08/10/808220810.db2.gz WLDWFWXYRIULMT-YJBOKZPZSA-N 2 1 299.462 3.342 20 30 CGEDMP CC(C)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300601 808220879 /nfs/dbraw/zinc/22/08/79/808220879.db2.gz YDUYJUBZUVBAPZ-ATZDWAIDSA-N 2 1 299.462 3.470 20 30 CGEDMP C[C@@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172311591 808222610 /nfs/dbraw/zinc/22/26/10/808222610.db2.gz VLWGUZGPCZOYCC-AWEZNQCLSA-N 2 1 294.402 3.025 20 30 CGEDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172487231 808348269 /nfs/dbraw/zinc/34/82/69/808348269.db2.gz GMNZEXDXKZPSSK-CVEARBPZSA-N 2 1 273.424 3.166 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277234367 809065341 /nfs/dbraw/zinc/06/53/41/809065341.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277234367 809065349 /nfs/dbraw/zinc/06/53/49/809065349.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277234367 809065357 /nfs/dbraw/zinc/06/53/57/809065357.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP CCc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277234367 809065365 /nfs/dbraw/zinc/06/53/65/809065365.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 2 1 297.446 3.038 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001203764246 812458227 /nfs/dbraw/zinc/45/82/27/812458227.db2.gz GXRCVRPWCFVLLX-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001203764246 812458230 /nfs/dbraw/zinc/45/82/30/812458230.db2.gz GXRCVRPWCFVLLX-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(C#N)c1 ZINC001203764246 812458233 /nfs/dbraw/zinc/45/82/33/812458233.db2.gz GXRCVRPWCFVLLX-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001203764246 812458236 /nfs/dbraw/zinc/45/82/36/812458236.db2.gz GXRCVRPWCFVLLX-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001203764246 812458239 /nfs/dbraw/zinc/45/82/39/812458239.db2.gz GXRCVRPWCFVLLX-OALUTQOASA-N 2 1 297.446 3.397 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205603369 813019955 /nfs/dbraw/zinc/01/99/55/813019955.db2.gz ORHSMGBVXBABIQ-WBVHZDCISA-N 2 1 288.435 3.058 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C[NH3+] ZINC001205638987 813037948 /nfs/dbraw/zinc/03/79/48/813037948.db2.gz UGSGTQXHZPBTIO-STQMWFEESA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001206312053 813285901 /nfs/dbraw/zinc/28/59/01/813285901.db2.gz YQDDJRXNTCNNEU-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001206325277 813289423 /nfs/dbraw/zinc/28/94/23/813289423.db2.gz HAOUDEOMRGJHBE-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768726 813430414 /nfs/dbraw/zinc/43/04/14/813430414.db2.gz LVGAXQRGZJMZAT-HOTGVXAUSA-N 2 1 288.435 3.201 20 30 CGEDMP C#CC[N@H+](CCC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC001207483755 813572676 /nfs/dbraw/zinc/57/26/76/813572676.db2.gz HUKABRDTJKXGAK-HXUWFJFHSA-N 2 1 296.458 3.341 20 30 CGEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001208619884 813777659 /nfs/dbraw/zinc/77/76/59/813777659.db2.gz ZBFIHQSHVVVEOT-QGZVFWFLSA-N 2 1 297.446 3.079 20 30 CGEDMP C#CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208946752 813907397 /nfs/dbraw/zinc/90/73/97/813907397.db2.gz WQBYJXCHCASLJP-HXUWFJFHSA-N 2 1 296.458 3.244 20 30 CGEDMP N#CCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951089 813907435 /nfs/dbraw/zinc/90/74/35/813907435.db2.gz YLOQEPBLUUMWQY-LJQANCHMSA-N 2 1 297.446 3.134 20 30 CGEDMP C=CCCCCCC[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209440672 814041548 /nfs/dbraw/zinc/04/15/48/814041548.db2.gz NSNWHXHNAZZNMQ-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP CCCCCCCC[N@@H+](C)Cc1ccc2n1CC[NH2+]C2 ZINC001235664754 819131613 /nfs/dbraw/zinc/13/16/13/819131613.db2.gz VPADMFOVJIBSTQ-UHFFFAOYSA-N 2 1 277.456 3.384 20 30 CGEDMP C=CCC[N@@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccccc1 ZINC001235702396 819147378 /nfs/dbraw/zinc/14/73/78/819147378.db2.gz JQJUEGCEOAQBCX-UHFFFAOYSA-N 2 1 295.430 3.170 20 30 CGEDMP C#CC[N@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC001235834200 819180498 /nfs/dbraw/zinc/18/04/98/819180498.db2.gz LXMRMJQHJMAEGG-GOSISDBHSA-N 2 1 270.420 3.128 20 30 CGEDMP C=CC[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235962631 819250920 /nfs/dbraw/zinc/25/09/20/819250920.db2.gz OECZLZUVTOPMJB-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001235962631 819250924 /nfs/dbraw/zinc/25/09/24/819250924.db2.gz OECZLZUVTOPMJB-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963094 819251397 /nfs/dbraw/zinc/25/13/97/819251397.db2.gz UFCPOCDUIAGEPV-GOEBONIOSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235963094 819251403 /nfs/dbraw/zinc/25/14/03/819251403.db2.gz UFCPOCDUIAGEPV-GOEBONIOSA-N 2 1 294.389 3.165 20 30 CGEDMP CCCCCCCCC[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236080205 819306045 /nfs/dbraw/zinc/30/60/45/819306045.db2.gz SVWGZRBMIRSVBX-SFHVURJKSA-N 2 1 295.515 3.092 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001346196192 936841635 /nfs/dbraw/zinc/84/16/35/936841635.db2.gz YIJBXJIIOSDJGH-UGUYLWEFSA-N 2 1 250.430 3.194 20 30 CGEDMP CCC#C[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193125 937796923 /nfs/dbraw/zinc/79/69/23/937796923.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193125 937796925 /nfs/dbraw/zinc/79/69/25/937796925.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473193125 937796926 /nfs/dbraw/zinc/79/69/26/937796926.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193125 937796928 /nfs/dbraw/zinc/79/69/28/937796928.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 2 1 284.447 3.242 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001257207946 960426537 /nfs/dbraw/zinc/42/65/37/960426537.db2.gz BKAOSAPONKHTGM-UHFFFAOYSA-N 2 1 283.419 3.010 20 30 CGEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C[NH3+])c1 ZINC001577526713 962559399 /nfs/dbraw/zinc/55/93/99/962559399.db2.gz DKLCEYAJQUFDCI-UHFFFAOYSA-N 2 1 293.414 3.429 20 30 CGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308585 347734421 /nfs/dbraw/zinc/73/44/21/347734421.db2.gz UVTLAXHXZRCAMY-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308585 347734425 /nfs/dbraw/zinc/73/44/25/347734425.db2.gz UVTLAXHXZRCAMY-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308585 347734427 /nfs/dbraw/zinc/73/44/27/347734427.db2.gz UVTLAXHXZRCAMY-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599308585 347734429 /nfs/dbraw/zinc/73/44/29/347734429.db2.gz UVTLAXHXZRCAMY-KRWDZBQOSA-N 2 1 285.435 3.030 20 30 CGEDMP Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1C#N ZINC000600709940 347829508 /nfs/dbraw/zinc/82/95/08/347829508.db2.gz LGWWKVQQADNZPV-UHFFFAOYSA-N 2 1 293.414 3.218 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C#N)CC1 ZINC000602515627 347974134 /nfs/dbraw/zinc/97/41/34/347974134.db2.gz QVPRXMOLZRHBSE-KLAILNCOSA-N 2 1 277.456 3.313 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000602515059 347974488 /nfs/dbraw/zinc/97/44/88/347974488.db2.gz SRPKUIOCDBYCAK-JKSUJKDBSA-N 2 1 265.445 3.028 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603571 347992086 /nfs/dbraw/zinc/99/20/86/347992086.db2.gz DIZSGRXDTNRLCW-SJLPKXTDSA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603571 347992088 /nfs/dbraw/zinc/99/20/88/347992088.db2.gz DIZSGRXDTNRLCW-SJLPKXTDSA-N 2 1 283.419 3.248 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877306 348040018 /nfs/dbraw/zinc/04/00/18/348040018.db2.gz FWGIJYYFZOMRJR-HNNXBMFYSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123069 349981694 /nfs/dbraw/zinc/98/16/94/349981694.db2.gz FGLHPAUNRMQARZ-ZACQAIPSSA-N 2 1 264.457 3.443 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341758661 283193741 /nfs/dbraw/zinc/19/37/41/283193741.db2.gz AQYLZTJGSQGQKR-LNLFQRSKSA-N 2 1 295.430 3.152 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341758660 283193969 /nfs/dbraw/zinc/19/39/69/283193969.db2.gz AQYLZTJGSQGQKR-LMMKCTJWSA-N 2 1 295.430 3.152 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069707084 369767823 /nfs/dbraw/zinc/76/78/23/369767823.db2.gz WISBJDMWQYXFNC-INIZCTEOSA-N 2 1 285.435 3.160 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643701 370150170 /nfs/dbraw/zinc/15/01/70/370150170.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643701 370150177 /nfs/dbraw/zinc/15/01/77/370150177.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643701 370150186 /nfs/dbraw/zinc/15/01/86/370150186.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643701 370150189 /nfs/dbraw/zinc/15/01/89/370150189.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 2 1 288.435 3.166 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000287565713 371674323 /nfs/dbraw/zinc/67/43/23/371674323.db2.gz QKFBJOISYZOFQW-LSDHHAIUSA-N 2 1 285.391 3.336 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353412325 220069144 /nfs/dbraw/zinc/06/91/44/220069144.db2.gz LSWODKLTWNGFRC-KXBFYZLASA-N 2 1 297.446 3.400 20 30 CGEDMP C=CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699253 372796949 /nfs/dbraw/zinc/79/69/49/372796949.db2.gz ZEILKSMNNNZRNO-OAHLLOKOSA-N 2 1 276.449 3.268 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)CC(C)C ZINC000442710476 373068249 /nfs/dbraw/zinc/06/82/49/373068249.db2.gz CQDMUWDDOBCJQO-JYJNAYRXSA-N 2 1 265.445 3.025 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449077456 373658076 /nfs/dbraw/zinc/65/80/76/373658076.db2.gz RUNJYQKFRSLKAR-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181717893 374160327 /nfs/dbraw/zinc/16/03/27/374160327.db2.gz FOKLDOJIAUFZGT-IAGOWNOFSA-N 2 1 294.483 3.210 20 30 CGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000509296664 375778051 /nfs/dbraw/zinc/77/80/51/375778051.db2.gz NUCJIQKIELJJQJ-QGZVFWFLSA-N 2 1 264.457 3.397 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000245905584 376931949 /nfs/dbraw/zinc/93/19/49/376931949.db2.gz BZHIUFZFDYGUPX-GDBMZVCRSA-N 2 1 250.430 3.053 20 30 CGEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396403 377306131 /nfs/dbraw/zinc/30/61/31/377306131.db2.gz QBUVTAICKSLXRU-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396403 377306138 /nfs/dbraw/zinc/30/61/38/377306138.db2.gz QBUVTAICKSLXRU-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396403 377306143 /nfs/dbraw/zinc/30/61/43/377306143.db2.gz QBUVTAICKSLXRU-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP CC#CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248396403 377306150 /nfs/dbraw/zinc/30/61/50/377306150.db2.gz QBUVTAICKSLXRU-HKUYNNGSSA-N 2 1 284.447 3.385 20 30 CGEDMP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[C@@H](C#N)C2)([NH+](C)C)C1 ZINC000248763311 377397951 /nfs/dbraw/zinc/39/79/51/377397951.db2.gz GTHMGETYNDEVSE-NCOADZHNSA-N 2 1 277.456 3.169 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249391114 377496859 /nfs/dbraw/zinc/49/68/59/377496859.db2.gz RKPWZXSXALWVEE-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249391114 377496867 /nfs/dbraw/zinc/49/68/67/377496867.db2.gz RKPWZXSXALWVEE-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000264289322 377973075 /nfs/dbraw/zinc/97/30/75/377973075.db2.gz PMJVGQUBCKMEAE-ZDUSSCGKSA-N 2 1 288.439 3.019 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000264390942 377981888 /nfs/dbraw/zinc/98/18/88/377981888.db2.gz NSXJPQUXSDPFJY-JQIJEIRASA-N 2 1 270.420 3.330 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000268921140 378153158 /nfs/dbraw/zinc/15/31/58/378153158.db2.gz QFCRIVHSPZOJRL-SJLPKXTDSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC#N ZINC000268921140 378153162 /nfs/dbraw/zinc/15/31/62/378153162.db2.gz QFCRIVHSPZOJRL-SJLPKXTDSA-N 2 1 285.435 3.180 20 30 CGEDMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000270678596 378387503 /nfs/dbraw/zinc/38/75/03/378387503.db2.gz UCKVJCSDJRTSBV-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000270678596 378387508 /nfs/dbraw/zinc/38/75/08/378387508.db2.gz UCKVJCSDJRTSBV-AWEZNQCLSA-N 2 1 282.391 3.146 20 30 CGEDMP C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000375405564 379497263 /nfs/dbraw/zinc/49/72/63/379497263.db2.gz PUBKJWAYFJNUHH-HOTGVXAUSA-N 2 1 288.439 3.486 20 30 CGEDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221984 380367283 /nfs/dbraw/zinc/36/72/83/380367283.db2.gz IFAQURXDFWXAAM-DYVFJYSZSA-N 2 1 289.398 3.002 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620565 382352861 /nfs/dbraw/zinc/35/28/61/382352861.db2.gz YHGDTLPIFYJDQW-KZNAEPCWSA-N 2 1 270.420 3.162 20 30 CGEDMP C=CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309917170 542427097 /nfs/dbraw/zinc/42/70/97/542427097.db2.gz OXBNTAWMLQQAHP-NVXWUHKLSA-N 2 1 258.409 3.063 20 30 CGEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192178617 130389096 /nfs/dbraw/zinc/38/90/96/130389096.db2.gz XOHCWJIHICVNNA-IEBWSBKVSA-N 2 1 296.458 3.281 20 30 CGEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178617 130389099 /nfs/dbraw/zinc/38/90/99/130389099.db2.gz XOHCWJIHICVNNA-IEBWSBKVSA-N 2 1 296.458 3.281 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647181194 393373305 /nfs/dbraw/zinc/37/33/05/393373305.db2.gz OVBBTTFWUHSICC-UHFFFAOYSA-N 2 1 272.383 3.194 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC[N@@H+]1C ZINC000360659593 393572745 /nfs/dbraw/zinc/57/27/45/393572745.db2.gz ZAHSTNSQRKFZIZ-BJZITVGISA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000360659593 393572750 /nfs/dbraw/zinc/57/27/50/393572750.db2.gz ZAHSTNSQRKFZIZ-BJZITVGISA-N 2 1 297.446 3.398 20 30 CGEDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000453419377 394240806 /nfs/dbraw/zinc/24/08/06/394240806.db2.gz YYDSALXZYFXRLC-ZDUSSCGKSA-N 2 1 289.398 3.222 20 30 CGEDMP CC1(C)CC([NH2+]Cc2cc(C#N)cs2)CC(C)(C)[NH2+]1 ZINC000093492159 287117087 /nfs/dbraw/zinc/11/70/87/287117087.db2.gz CAUPTPYZZYYUKU-UHFFFAOYSA-N 2 1 277.437 3.019 20 30 CGEDMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088358 260208713 /nfs/dbraw/zinc/20/87/13/260208713.db2.gz BNXOAMVHMIHQIY-JUVOFCAFSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449088358 260208714 /nfs/dbraw/zinc/20/87/14/260208714.db2.gz BNXOAMVHMIHQIY-JUVOFCAFSA-N 2 1 277.456 3.169 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414687805 263032494 /nfs/dbraw/zinc/03/24/94/263032494.db2.gz IFLXBUHDKLETKW-SJLPKXTDSA-N 2 1 272.436 3.105 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000340226083 263097987 /nfs/dbraw/zinc/09/79/87/263097987.db2.gz BLUBYAHLDIDLPC-DLBZAZTESA-N 2 1 271.408 3.105 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000340226083 263097988 /nfs/dbraw/zinc/09/79/88/263097988.db2.gz BLUBYAHLDIDLPC-DLBZAZTESA-N 2 1 271.408 3.105 20 30 CGEDMP C=CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccco1 ZINC000514092380 263264313 /nfs/dbraw/zinc/26/43/13/263264313.db2.gz FCMKERITDGHSBD-AWEZNQCLSA-N 2 1 264.413 3.464 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336368414 276152139 /nfs/dbraw/zinc/15/21/39/276152139.db2.gz QOZTXTZGZRWXNP-SFHVURJKSA-N 2 1 283.419 3.010 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000274638639 328212179 /nfs/dbraw/zinc/21/21/79/328212179.db2.gz QRCJZSSKHZLWKA-YSHGAJCASA-N 2 1 297.446 3.179 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000274638639 328212181 /nfs/dbraw/zinc/21/21/81/328212181.db2.gz QRCJZSSKHZLWKA-YSHGAJCASA-N 2 1 297.446 3.179 20 30 CGEDMP C=C(C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccccc1 ZINC000423024013 330166082 /nfs/dbraw/zinc/16/60/82/330166082.db2.gz IKEOWDVYIDAMJB-VQIMIIECSA-N 2 1 280.415 3.248 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185773471 333148544 /nfs/dbraw/zinc/14/85/44/333148544.db2.gz MQHWQLSMCACWPY-IMJJTQAJSA-N 2 1 265.445 3.025 20 30 CGEDMP N#CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248413229 334300882 /nfs/dbraw/zinc/30/08/82/334300882.db2.gz LBKWXSMZWFVPFN-GUDVDZBRSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248811200 334317978 /nfs/dbraw/zinc/31/79/78/334317978.db2.gz KNLOEBAGJGQFSA-XDNAFOTISA-N 2 1 291.483 3.416 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CC#Cc1ccccc1 ZINC000892583610 618867586 /nfs/dbraw/zinc/86/75/86/618867586.db2.gz CLJNSCFMLMTAMJ-GOSISDBHSA-N 2 1 284.447 3.282 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897969107 620459471 /nfs/dbraw/zinc/45/94/71/620459471.db2.gz DVJXXCNHYWXOOU-YESZJQIVSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897969107 620459474 /nfs/dbraw/zinc/45/94/74/620459474.db2.gz DVJXXCNHYWXOOU-YESZJQIVSA-N 2 1 284.488 3.170 20 30 CGEDMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902789479 621446904 /nfs/dbraw/zinc/44/69/04/621446904.db2.gz HBTWAASVPANMMW-KSSFIOAISA-N 2 1 296.418 3.440 20 30 CGEDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC000903011161 621532905 /nfs/dbraw/zinc/53/29/05/621532905.db2.gz WCDVXPBEFBMRJR-FBVQUNGASA-N 2 1 283.419 3.224 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000904406431 621918502 /nfs/dbraw/zinc/91/85/02/621918502.db2.gz STCODJBBEFNAEY-CYBMUJFWSA-N 2 1 294.826 3.076 20 30 CGEDMP C#C[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839583688 626763100 /nfs/dbraw/zinc/76/31/00/626763100.db2.gz LTSRWJIJZWRKJA-MRXNPFEDSA-N 2 1 270.420 3.126 20 30 CGEDMP c1cnn([NH+]=C2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]23)c1 ZINC000863163761 629486912 /nfs/dbraw/zinc/48/69/12/629486912.db2.gz OOLRGKYMFAJBAL-FUHWJXTLSA-N 2 1 294.402 3.162 20 30 CGEDMP c1cnn([NH+]=C2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]23)c1 ZINC000863163761 629486914 /nfs/dbraw/zinc/48/69/14/629486914.db2.gz OOLRGKYMFAJBAL-FUHWJXTLSA-N 2 1 294.402 3.162 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000817959488 632254744 /nfs/dbraw/zinc/25/47/44/632254744.db2.gz GQLYQNXMVQNJEY-BLLLJJGKSA-N 2 1 294.826 3.206 20 30 CGEDMP C#Cc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000825225940 633337502 /nfs/dbraw/zinc/33/75/02/633337502.db2.gz BPWQGNLSUWDIDQ-UHFFFAOYSA-N 2 1 270.420 3.020 20 30 CGEDMP C=CC[N@H+](CCCCCC[NH3+])Cc1ccccc1F ZINC000846218337 636161326 /nfs/dbraw/zinc/16/13/26/636161326.db2.gz MCGMDAJEVUGGHE-UHFFFAOYSA-N 2 1 264.388 3.333 20 30 CGEDMP C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151053 635378928 /nfs/dbraw/zinc/37/89/28/635378928.db2.gz UEAZQNIRTKIYBY-AEFFLSMTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151053 635378933 /nfs/dbraw/zinc/37/89/33/635378933.db2.gz UEAZQNIRTKIYBY-AEFFLSMTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151053 635378938 /nfs/dbraw/zinc/37/89/38/635378938.db2.gz UEAZQNIRTKIYBY-AEFFLSMTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC)c2)CC1 ZINC000106245308 636170421 /nfs/dbraw/zinc/17/04/21/636170421.db2.gz XMRCXTPOJCXFCC-UHFFFAOYSA-N 2 1 288.435 3.215 20 30 CGEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926441999 638772083 /nfs/dbraw/zinc/77/20/83/638772083.db2.gz FQUJWCUQCWVQBH-UONOGXRCSA-N 2 1 253.434 3.025 20 30 CGEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926441999 638772085 /nfs/dbraw/zinc/77/20/85/638772085.db2.gz FQUJWCUQCWVQBH-UONOGXRCSA-N 2 1 253.434 3.025 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000931699448 639191758 /nfs/dbraw/zinc/19/17/58/639191758.db2.gz DJOUFRPOTCLXMF-UHFFFAOYSA-N 2 1 297.446 3.235 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001252141959 806025817 /nfs/dbraw/zinc/02/58/17/806025817.db2.gz QTROEQFTWMQMIB-YESZJQIVSA-N 2 1 284.488 3.028 20 30 CGEDMP CCC(CC)[N@@H+]([C@@H](CC)CC#N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160601 806559198 /nfs/dbraw/zinc/55/91/98/806559198.db2.gz MKYMCFCZRJMQQO-BPUTZDHNSA-N 2 1 265.445 3.439 20 30 CGEDMP CC[C@@H](CC#N)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162824 806560977 /nfs/dbraw/zinc/56/09/77/806560977.db2.gz ZNJXMHNEMCDCNN-ULQDDVLXSA-N 2 1 277.456 3.441 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746291 799848929 /nfs/dbraw/zinc/84/89/29/799848929.db2.gz DQYCVPPUGATPII-OLZOCXBDSA-N 2 1 280.378 3.416 20 30 CGEDMP CCCCCCC[C@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709871127 800021868 /nfs/dbraw/zinc/02/18/68/800021868.db2.gz RXPNWELUTZDVOA-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP C=C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716716058 800178237 /nfs/dbraw/zinc/17/82/37/800178237.db2.gz ZHCDCGBIPNOUDN-DKIMLUQUSA-N 2 1 270.420 3.204 20 30 CGEDMP N#CCc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc[nH+]1 ZINC001163902378 806849353 /nfs/dbraw/zinc/84/93/53/806849353.db2.gz OMBVDIDXUUKWLN-UHFFFAOYSA-N 2 1 296.761 3.204 20 30 CGEDMP C=CC[C@@H]1CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@H]2CC=C)c1 ZINC000934459276 800679026 /nfs/dbraw/zinc/67/90/26/800679026.db2.gz HPCCJCLRHLGPPJ-RTBURBONSA-N 2 1 297.446 3.382 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246034462 804102489 /nfs/dbraw/zinc/10/24/89/804102489.db2.gz QTYNAQXWLPUDLC-FJIDUMEYSA-N 2 1 296.499 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246058192 804104922 /nfs/dbraw/zinc/10/49/22/804104922.db2.gz IPSAAXRWYWAXIS-JKSUJKDBSA-N 2 1 272.477 3.157 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246058192 804104925 /nfs/dbraw/zinc/10/49/25/804104925.db2.gz IPSAAXRWYWAXIS-JKSUJKDBSA-N 2 1 272.477 3.157 20 30 CGEDMP CCCCCCCC[C@H](CC)[NH2+][C@@]1(CCO)CC[NH2+]C1 ZINC001246297946 804264963 /nfs/dbraw/zinc/26/49/63/804264963.db2.gz YHZXTPNIANAFQI-DLBZAZTESA-N 2 1 284.488 3.220 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](CC)C[C@H](C)CC ZINC001246313098 804275434 /nfs/dbraw/zinc/27/54/34/804275434.db2.gz RNXOBOFMUIMQBC-PMPSAXMXSA-N 2 1 298.471 3.018 20 30 CGEDMP CC(C)(C)C#CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246326933 804283335 /nfs/dbraw/zinc/28/33/35/804283335.db2.gz PUBWHJTWRMZPSY-IAGOWNOFSA-N 2 1 270.420 3.119 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001246610502 804444843 /nfs/dbraw/zinc/44/48/43/804444843.db2.gz AVFMULHQIWCWEG-QGZVFWFLSA-N 2 1 296.499 3.437 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617097 804452416 /nfs/dbraw/zinc/45/24/16/804452416.db2.gz XUDDYGPFEIRRTH-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246617097 804452421 /nfs/dbraw/zinc/45/24/21/804452421.db2.gz XUDDYGPFEIRRTH-APWZRJJASA-N 2 1 297.446 3.097 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246628060 804459034 /nfs/dbraw/zinc/45/90/34/804459034.db2.gz AAKPZXRCSVLQGQ-KZNAEPCWSA-N 2 1 296.499 3.436 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246629724 804460434 /nfs/dbraw/zinc/46/04/34/804460434.db2.gz HLHARNBSPQNVLU-HNNXBMFYSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001246649845 804476958 /nfs/dbraw/zinc/47/69/58/804476958.db2.gz QEDAYQBATMUZAV-IAGOWNOFSA-N 2 1 282.472 3.190 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246852294 804562410 /nfs/dbraw/zinc/56/24/10/804562410.db2.gz OPNASYBRJDXQTD-QZTJIDSGSA-N 2 1 272.436 3.248 20 30 CGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCC(C#N)CC1 ZINC001256973092 807021125 /nfs/dbraw/zinc/02/11/25/807021125.db2.gz LCMXAEONJSPBTK-FOIPXRHGSA-N 2 1 289.467 3.408 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246866673 804570448 /nfs/dbraw/zinc/57/04/48/804570448.db2.gz DYUJPFMGQQUMEU-ROUUACIJSA-N 2 1 295.515 3.233 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246947110 804614376 /nfs/dbraw/zinc/61/43/76/804614376.db2.gz VKNJLYLXKGUYFW-GJZGRUSLSA-N 2 1 258.425 3.498 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[N@H+](C)CC3)C[C@H](C1)C2 ZINC001257886405 807238015 /nfs/dbraw/zinc/23/80/15/807238015.db2.gz DTOGCCKSRZXHSX-LVYZTWJOSA-N 2 1 262.441 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)C[C@H](C1)C2 ZINC001257886626 807238026 /nfs/dbraw/zinc/23/80/26/807238026.db2.gz KRXHUWADNHQFJI-XNHLSEOASA-N 2 1 276.468 3.443 20 30 CGEDMP CCCCCCC[C@H](C)N1CC[NH+](CCCC[NH3+])CC1 ZINC001258042891 807272386 /nfs/dbraw/zinc/27/23/86/807272386.db2.gz CWVGLFVUFJLLSV-KRWDZBQOSA-N 2 1 283.504 3.092 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001258727603 807574820 /nfs/dbraw/zinc/57/48/20/807574820.db2.gz IDIPIKXAEVMQBC-ROUUACIJSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001258727603 807574824 /nfs/dbraw/zinc/57/48/24/807574824.db2.gz IDIPIKXAEVMQBC-ROUUACIJSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727603 807574828 /nfs/dbraw/zinc/57/48/28/807574828.db2.gz IDIPIKXAEVMQBC-ROUUACIJSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001258727603 807574832 /nfs/dbraw/zinc/57/48/32/807574832.db2.gz IDIPIKXAEVMQBC-ROUUACIJSA-N 2 1 294.483 3.164 20 30 CGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2ccc([C@H](C)[NH3+])n2)cc1 ZINC001169237177 807611020 /nfs/dbraw/zinc/61/10/20/807611020.db2.gz LXHQDAKRMUIZRR-KSSFIOAISA-N 2 1 296.418 3.215 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171178916 808000674 /nfs/dbraw/zinc/00/06/74/808000674.db2.gz LXYYPCBLTKKOCH-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171178916 808000676 /nfs/dbraw/zinc/00/06/76/808000676.db2.gz LXYYPCBLTKKOCH-MRXNPFEDSA-N 2 1 287.451 3.201 20 30 CGEDMP C#CC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976103 808164111 /nfs/dbraw/zinc/16/41/11/808164111.db2.gz PLRNCWOHDBGASL-KRWDZBQOSA-N 2 1 282.431 3.185 20 30 CGEDMP C#CC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976103 808164114 /nfs/dbraw/zinc/16/41/14/808164114.db2.gz PLRNCWOHDBGASL-KRWDZBQOSA-N 2 1 282.431 3.185 20 30 CGEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001172487981 808347767 /nfs/dbraw/zinc/34/77/67/808347767.db2.gz JYHRYIWWGCRNQB-HUUCEWRRSA-N 2 1 263.429 3.065 20 30 CGEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001172487981 808347773 /nfs/dbraw/zinc/34/77/73/808347773.db2.gz JYHRYIWWGCRNQB-HUUCEWRRSA-N 2 1 263.429 3.065 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172488976 808349081 /nfs/dbraw/zinc/34/90/81/808349081.db2.gz XKUYANZTYVHESW-CQSZACIVSA-N 2 1 289.398 3.158 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC001173319581 808609831 /nfs/dbraw/zinc/60/98/31/808609831.db2.gz NCNRPMFNWITSBW-CPFNUKBASA-N 2 1 294.483 3.209 20 30 CGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203903620 812488578 /nfs/dbraw/zinc/48/85/78/812488578.db2.gz JGZJTIXQJLOVBC-LJQANCHMSA-N 2 1 297.446 3.399 20 30 CGEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001203903620 812488583 /nfs/dbraw/zinc/48/85/83/812488583.db2.gz JGZJTIXQJLOVBC-LJQANCHMSA-N 2 1 297.446 3.399 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001205545994 813000202 /nfs/dbraw/zinc/00/02/02/813000202.db2.gz OEMOYJVYFCWYFV-SJORKVTESA-N 2 1 280.431 3.442 20 30 CGEDMP CCC[N@H+](CCCc1cccc(C#N)c1)CCC[NH+](C)C ZINC001208854814 813866287 /nfs/dbraw/zinc/86/62/87/813866287.db2.gz VNRRBVQJCYUPDT-UHFFFAOYSA-N 2 1 287.451 3.155 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC001208928466 813901032 /nfs/dbraw/zinc/90/10/32/813901032.db2.gz JARSHQSGYCDENP-UHFFFAOYSA-N 2 1 299.462 3.297 20 30 CGEDMP C=CCCCC[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001209203832 813965962 /nfs/dbraw/zinc/96/59/62/813965962.db2.gz WLIGMGWYAKYHSB-UHFFFAOYSA-N 2 1 273.424 3.285 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222320191 816408257 /nfs/dbraw/zinc/40/82/57/816408257.db2.gz CPQSFYQYAXIOHU-LJQANCHMSA-N 2 1 297.446 3.229 20 30 CGEDMP CCc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1C#N ZINC001222320258 816408352 /nfs/dbraw/zinc/40/83/52/816408352.db2.gz FJHVDMSVSBUYNN-IBGZPJMESA-N 2 1 297.446 3.229 20 30 CGEDMP CCCCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005559 818975882 /nfs/dbraw/zinc/97/58/82/818975882.db2.gz HXXKJWHKQGBBRD-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005559 818975892 /nfs/dbraw/zinc/97/58/92/818975892.db2.gz HXXKJWHKQGBBRD-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188164 819027852 /nfs/dbraw/zinc/02/78/52/819027852.db2.gz KMHLMJDVLVIBCB-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188164 819027858 /nfs/dbraw/zinc/02/78/58/819027858.db2.gz KMHLMJDVLVIBCB-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCC[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937683 819232496 /nfs/dbraw/zinc/23/24/96/819232496.db2.gz PJDNHASAVAPPAP-UHFFFAOYSA-N 2 1 282.472 3.213 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951905 819241396 /nfs/dbraw/zinc/24/13/96/819241396.db2.gz UYFUCIFAPQDLGV-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235951905 819241400 /nfs/dbraw/zinc/24/14/00/819241400.db2.gz UYFUCIFAPQDLGV-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=CCCC[N@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269991 819411319 /nfs/dbraw/zinc/41/13/19/819411319.db2.gz OQZPBCGXBICCGC-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C=CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269991 819411322 /nfs/dbraw/zinc/41/13/22/819411322.db2.gz OQZPBCGXBICCGC-QGZVFWFLSA-N 2 1 258.409 3.207 20 30 CGEDMP C#CCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383871 819444024 /nfs/dbraw/zinc/44/40/24/819444024.db2.gz YKRKMRSSGMUJEE-UHFFFAOYSA-N 2 1 288.410 3.041 20 30 CGEDMP C=CCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401235 819450807 /nfs/dbraw/zinc/45/08/07/819450807.db2.gz LUGBIMOISWTWDD-UHFFFAOYSA-N 2 1 276.399 3.346 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(CC#N)CC1)C2 ZINC001173330334 928228651 /nfs/dbraw/zinc/22/86/51/928228651.db2.gz QGFIFOKZKLLPKZ-BOXKHOIUSA-N 2 1 275.440 3.064 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC(CC#N)CC1)C2 ZINC001173330334 928228661 /nfs/dbraw/zinc/22/86/61/928228661.db2.gz QGFIFOKZKLLPKZ-BOXKHOIUSA-N 2 1 275.440 3.064 20 30 CGEDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)[C@@H](C)C1 ZINC001173332624 928228961 /nfs/dbraw/zinc/22/89/61/928228961.db2.gz PPXIASBUKDBQNB-ZGRYLRDCSA-N 2 1 277.456 3.167 20 30 CGEDMP CCC#C[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193122 937796315 /nfs/dbraw/zinc/79/63/15/937796315.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001473193122 937796316 /nfs/dbraw/zinc/79/63/16/937796316.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001473193122 937796318 /nfs/dbraw/zinc/79/63/18/937796318.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 2 1 284.447 3.242 20 30 CGEDMP CCC#C[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193122 937796319 /nfs/dbraw/zinc/79/63/19/937796319.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 2 1 284.447 3.242 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC001334869287 936119843 /nfs/dbraw/zinc/11/98/43/936119843.db2.gz WTVTXXVVOWENJZ-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP C#CC[NH+]1CCC(Nc2[nH+]ccc3c(C)cccc32)CC1 ZINC001336836835 936221176 /nfs/dbraw/zinc/22/11/76/936221176.db2.gz LKZTUHJGJOUGNH-UHFFFAOYSA-N 2 1 279.387 3.053 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001576301210 962447369 /nfs/dbraw/zinc/44/73/69/962447369.db2.gz NHPSDXIYWOXNSR-OLMNPRSZSA-N 2 1 283.419 3.070 20 30 CGEDMP N#CC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC001580038719 962690037 /nfs/dbraw/zinc/69/00/37/962690037.db2.gz RAVBCQFPXIGQSX-HNNXBMFYSA-N 2 1 275.440 3.115 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000651672934 398266381 /nfs/dbraw/zinc/26/63/81/398266381.db2.gz PUOKFXSSXMNYRK-IMJJTQAJSA-N 2 1 261.413 3.162 20 30 CGEDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000591245153 346911470 /nfs/dbraw/zinc/91/14/70/346911470.db2.gz VHMVEZXHCHSWFC-KXBFYZLASA-N 2 1 297.446 3.257 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000174363093 346241538 /nfs/dbraw/zinc/24/15/38/346241538.db2.gz ZAGQNMKZMYYGTE-GDBMZVCRSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000359220854 346544189 /nfs/dbraw/zinc/54/41/89/346544189.db2.gz NVUXVZSBGBQFCW-UHFFFAOYSA-N 2 1 276.399 3.203 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594496411 347178731 /nfs/dbraw/zinc/17/87/31/347178731.db2.gz ZSBPUGTXHJLMJN-QZTJIDSGSA-N 2 1 297.446 3.204 20 30 CGEDMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069296 347714173 /nfs/dbraw/zinc/71/41/73/347714173.db2.gz FKFNZXZYXKICKQ-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069296 347714174 /nfs/dbraw/zinc/71/41/74/347714174.db2.gz FKFNZXZYXKICKQ-ZIAGYGMSSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735357 /nfs/dbraw/zinc/73/53/57/347735357.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735363 /nfs/dbraw/zinc/73/53/63/347735363.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735366 /nfs/dbraw/zinc/73/53/66/347735366.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735370 /nfs/dbraw/zinc/73/53/70/347735370.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000602514447 347973350 /nfs/dbraw/zinc/97/33/50/347973350.db2.gz JNCICZOIHHRFLY-HZPDHXFCSA-N 2 1 265.445 3.170 20 30 CGEDMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602637150 347998449 /nfs/dbraw/zinc/99/84/49/347998449.db2.gz KXPCDANZCDVGIS-AWEZNQCLSA-N 2 1 287.407 3.173 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390668 348444290 /nfs/dbraw/zinc/44/42/90/348444290.db2.gz NMWAVHWYRSUNJN-GOSISDBHSA-N 2 1 285.435 3.256 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000177917190 189078881 /nfs/dbraw/zinc/07/88/81/189078881.db2.gz WACKLKQKZUEMCM-ZDUSSCGKSA-N 2 1 264.438 3.439 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699952 189304480 /nfs/dbraw/zinc/30/44/80/189304480.db2.gz WEEFCDIVKYVRKZ-DOTOQJQBSA-N 2 1 285.435 3.329 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000276389566 193312090 /nfs/dbraw/zinc/31/20/90/193312090.db2.gz BIADKSLJTRDBBU-HOCLYGCPSA-N 2 1 274.408 3.361 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389566 193312092 /nfs/dbraw/zinc/31/20/92/193312092.db2.gz BIADKSLJTRDBBU-HOCLYGCPSA-N 2 1 274.408 3.361 20 30 CGEDMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449099059 373662055 /nfs/dbraw/zinc/66/20/55/373662055.db2.gz SEJWOSHBZXBMRX-ZGOKBZQCSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509393740 375780241 /nfs/dbraw/zinc/78/02/41/375780241.db2.gz RSSAJCDKEPLQBH-CALCHBBNSA-N 2 1 294.483 3.164 20 30 CGEDMP C=C(C)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246380941 377019760 /nfs/dbraw/zinc/01/97/60/377019760.db2.gz MSSZNOIEVXFTKW-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246380941 377019768 /nfs/dbraw/zinc/01/97/68/377019768.db2.gz MSSZNOIEVXFTKW-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246380941 377019781 /nfs/dbraw/zinc/01/97/81/377019781.db2.gz MSSZNOIEVXFTKW-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246380941 377019787 /nfs/dbraw/zinc/01/97/87/377019787.db2.gz MSSZNOIEVXFTKW-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246380941 377019793 /nfs/dbraw/zinc/01/97/93/377019793.db2.gz MSSZNOIEVXFTKW-HOTGVXAUSA-N 2 1 250.430 3.149 20 30 CGEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248174460 377278111 /nfs/dbraw/zinc/27/81/11/377278111.db2.gz VJOGCYMZOWDWCQ-ZWKOTPCHSA-N 2 1 270.420 3.159 20 30 CGEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248174460 377278115 /nfs/dbraw/zinc/27/81/15/377278115.db2.gz VJOGCYMZOWDWCQ-ZWKOTPCHSA-N 2 1 270.420 3.159 20 30 CGEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248174460 377278120 /nfs/dbraw/zinc/27/81/20/377278120.db2.gz VJOGCYMZOWDWCQ-ZWKOTPCHSA-N 2 1 270.420 3.159 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248811108 377405228 /nfs/dbraw/zinc/40/52/28/377405228.db2.gz KNBOGWXMDLHBOC-BRWVUGGUSA-N 2 1 277.456 3.170 20 30 CGEDMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000578023110 378031547 /nfs/dbraw/zinc/03/15/47/378031547.db2.gz PNOHYVHSTJCNAZ-GOSISDBHSA-N 2 1 296.418 3.377 20 30 CGEDMP CC1(C)CC([NH2+]Cc2ccc(C#N)cc2F)CC(C)(C)[NH2+]1 ZINC000269404558 378217967 /nfs/dbraw/zinc/21/79/67/378217967.db2.gz HFEBFWNPDPHQLV-UHFFFAOYSA-N 2 1 289.398 3.096 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346632638 378654739 /nfs/dbraw/zinc/65/47/39/378654739.db2.gz DHEZAMKCZOGYLJ-GXTWGEPZSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346632638 378654745 /nfs/dbraw/zinc/65/47/45/378654745.db2.gz DHEZAMKCZOGYLJ-GXTWGEPZSA-N 2 1 294.826 3.074 20 30 CGEDMP C=C(C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346774759 378688013 /nfs/dbraw/zinc/68/80/13/378688013.db2.gz GZEKDULBGHLKET-NVXWUHKLSA-N 2 1 258.409 3.020 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274871088 378911770 /nfs/dbraw/zinc/91/17/70/378911770.db2.gz XDCDWWCJPLEJEZ-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274871088 378911774 /nfs/dbraw/zinc/91/17/74/378911774.db2.gz XDCDWWCJPLEJEZ-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298211 379339496 /nfs/dbraw/zinc/33/94/96/379339496.db2.gz RPEHNRFVWVXLHO-KRWDZBQOSA-N 2 1 273.424 3.329 20 30 CGEDMP CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315015 379342863 /nfs/dbraw/zinc/34/28/63/379342863.db2.gz UIWAOHNOEBDYIK-BZSNNMDCSA-N 2 1 283.419 3.226 20 30 CGEDMP CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315015 379342875 /nfs/dbraw/zinc/34/28/75/379342875.db2.gz UIWAOHNOEBDYIK-BZSNNMDCSA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672530 379593277 /nfs/dbraw/zinc/59/32/77/379593277.db2.gz NVCUDPBQVMLAQS-SJLPKXTDSA-N 2 1 297.446 3.180 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453322454 542681629 /nfs/dbraw/zinc/68/16/29/542681629.db2.gz QWNNEZYTQJAQIF-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453322454 542681632 /nfs/dbraw/zinc/68/16/32/542681632.db2.gz QWNNEZYTQJAQIF-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000339072095 392945608 /nfs/dbraw/zinc/94/56/08/392945608.db2.gz PAIJZOJEUMXHFP-AWEZNQCLSA-N 2 1 285.391 3.034 20 30 CGEDMP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000488425198 393508399 /nfs/dbraw/zinc/50/83/99/393508399.db2.gz FXHGLOVIJDQFPR-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000488425198 393508401 /nfs/dbraw/zinc/50/84/01/393508401.db2.gz FXHGLOVIJDQFPR-LJQANCHMSA-N 2 1 297.446 3.317 20 30 CGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522731 /nfs/dbraw/zinc/52/27/31/393522731.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522734 /nfs/dbraw/zinc/52/27/34/393522734.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522738 /nfs/dbraw/zinc/52/27/38/393522738.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522742 /nfs/dbraw/zinc/52/27/42/393522742.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 2 1 285.435 3.171 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000657841954 419382958 /nfs/dbraw/zinc/38/29/58/419382958.db2.gz RRJQDROTZYKUPF-OAGGEKHMSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000657841950 419383288 /nfs/dbraw/zinc/38/32/88/419383288.db2.gz RRJQDROTZYKUPF-ARFHVFGLSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468926 419621631 /nfs/dbraw/zinc/62/16/31/419621631.db2.gz NJPHWHXWIVSGFZ-UXLLHSPISA-N 2 1 264.457 3.299 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000106245218 260091925 /nfs/dbraw/zinc/09/19/25/260091925.db2.gz XSQZDEMXWLIALY-RMKNXTFCSA-N 2 1 270.420 3.330 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189168918 264281543 /nfs/dbraw/zinc/28/15/43/264281543.db2.gz BXDWULUDLXZNIE-UHFFFAOYSA-N 2 1 294.483 3.213 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000378402575 329049209 /nfs/dbraw/zinc/04/92/09/329049209.db2.gz MJRTUWUUSHYIIQ-BQFCYCMXSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000378402575 329049211 /nfs/dbraw/zinc/04/92/11/329049211.db2.gz MJRTUWUUSHYIIQ-BQFCYCMXSA-N 2 1 272.436 3.451 20 30 CGEDMP C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685390 329249288 /nfs/dbraw/zinc/24/92/88/329249288.db2.gz BJSRBECQEHZRKY-KSSFIOAISA-N 2 1 299.418 3.158 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421831469 330090838 /nfs/dbraw/zinc/09/08/38/330090838.db2.gz LKSIBTXFPTXRRQ-INIZCTEOSA-N 2 1 294.483 3.354 20 30 CGEDMP C=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423317838 330190060 /nfs/dbraw/zinc/19/00/60/330190060.db2.gz BBMVXPIIYQYTIO-QGTPRVQTSA-N 2 1 288.435 3.085 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186326300 333158667 /nfs/dbraw/zinc/15/86/67/333158667.db2.gz RDYNTRLWUIOTLP-AWEZNQCLSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000248832243 334319063 /nfs/dbraw/zinc/31/90/63/334319063.db2.gz MQHWQLSMCACWPY-KBMXLJTQSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249052849 334325898 /nfs/dbraw/zinc/32/58/98/334325898.db2.gz XZSATMDYQDJBLM-TWMKSMIVSA-N 2 1 277.456 3.026 20 30 CGEDMP C=CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000381926475 336077910 /nfs/dbraw/zinc/07/79/10/336077910.db2.gz PYTWSUQKDNIDBW-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000106246009 526605153 /nfs/dbraw/zinc/60/51/53/526605153.db2.gz RMEWZTGDGHMEKF-UHFFFAOYSA-N 2 1 278.827 3.470 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccco1 ZINC000925842033 619290581 /nfs/dbraw/zinc/29/05/81/619290581.db2.gz WRNYBZFTDTVSBO-USXIJHARSA-N 2 1 274.408 3.409 20 30 CGEDMP C[C@H](CCC#N)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895682156 619871945 /nfs/dbraw/zinc/87/19/45/619871945.db2.gz CAEJEXSAMDTDED-MRXNPFEDSA-N 2 1 265.445 3.124 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897969106 620459150 /nfs/dbraw/zinc/45/91/50/620459150.db2.gz DVJXXCNHYWXOOU-IXDOHACOSA-N 2 1 284.488 3.170 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897969106 620459152 /nfs/dbraw/zinc/45/91/52/620459152.db2.gz DVJXXCNHYWXOOU-IXDOHACOSA-N 2 1 284.488 3.170 20 30 CGEDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C#N)c1 ZINC000902754490 621425189 /nfs/dbraw/zinc/42/51/89/621425189.db2.gz DQTHTEAYCZNCBV-KRWDZBQOSA-N 2 1 282.391 3.194 20 30 CGEDMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069451 621567762 /nfs/dbraw/zinc/56/77/62/621567762.db2.gz HDLUJGQSJYCCSS-AEFFLSMTSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903713593 621798587 /nfs/dbraw/zinc/79/85/87/621798587.db2.gz XBMWEVNTCXSJKZ-GJZGRUSLSA-N 2 1 263.429 3.052 20 30 CGEDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903713593 621798589 /nfs/dbraw/zinc/79/85/89/621798589.db2.gz XBMWEVNTCXSJKZ-GJZGRUSLSA-N 2 1 263.429 3.052 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389361 635656266 /nfs/dbraw/zinc/65/62/66/635656266.db2.gz QGPPLMPIPMDINW-MRXNPFEDSA-N 2 1 282.472 3.034 20 30 CGEDMP C=C(C)C[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880256116 635958701 /nfs/dbraw/zinc/95/87/01/635958701.db2.gz FDISXQQGOXCNBA-UHFFFAOYSA-N 2 1 250.430 3.293 20 30 CGEDMP CC1([NH+]2CCCCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000872102432 634021542 /nfs/dbraw/zinc/02/15/42/634021542.db2.gz QLJMZXHYNWKZHS-CVEARBPZSA-N 2 1 275.440 3.019 20 30 CGEDMP CCCCCCCCNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000849040631 636728368 /nfs/dbraw/zinc/72/83/68/636728368.db2.gz BOSKCEYXXKUZEO-INIZCTEOSA-N 2 1 296.503 3.193 20 30 CGEDMP CCC#C[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664618 637641196 /nfs/dbraw/zinc/64/11/96/637641196.db2.gz SCPVNANLPLOJRL-LBPRGKRZSA-N 2 1 259.397 3.008 20 30 CGEDMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925810984 638619068 /nfs/dbraw/zinc/61/90/68/638619068.db2.gz BPIOPUJYPFOJRA-CJNGLKHVSA-N 2 1 289.398 3.098 20 30 CGEDMP N#CC1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000929720052 638944571 /nfs/dbraw/zinc/94/45/71/638944571.db2.gz UKKZIIBUGIFIDF-ABHNRTSZSA-N 2 1 289.467 3.124 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC001252121036 806007774 /nfs/dbraw/zinc/00/77/74/806007774.db2.gz BITBEAOTERQRRR-KRWDZBQOSA-N 2 1 284.488 3.124 20 30 CGEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001252135667 806022565 /nfs/dbraw/zinc/02/25/65/806022565.db2.gz HIVWNMYBGSCBKS-IRXDYDNUSA-N 2 1 284.488 3.172 20 30 CGEDMP C=CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255144069 806553295 /nfs/dbraw/zinc/55/32/95/806553295.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144069 806553299 /nfs/dbraw/zinc/55/32/99/806553299.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144069 806553301 /nfs/dbraw/zinc/55/33/01/806553301.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 2 1 270.420 3.300 20 30 CGEDMP CC[C@@H](CC#N)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255162233 806560805 /nfs/dbraw/zinc/56/08/05/806560805.db2.gz KVMPTCVRDTUTEC-KKUMJFAQSA-N 2 1 265.445 3.297 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000385897585 799429398 /nfs/dbraw/zinc/42/93/98/799429398.db2.gz FLDNRGXBRVPKIG-XHSDSOJGSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001172501866 808357135 /nfs/dbraw/zinc/35/71/35/808357135.db2.gz LMLOLFSGYVURIR-HZPDHXFCSA-N 2 1 270.461 3.175 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246059878 804105060 /nfs/dbraw/zinc/10/50/60/804105060.db2.gz CBNLYXVKYNJHHY-GVDBMIGSSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC001246055016 804105094 /nfs/dbraw/zinc/10/50/94/804105094.db2.gz JTUPNRDHUKMDKH-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC001246055016 804105096 /nfs/dbraw/zinc/10/50/96/804105096.db2.gz JTUPNRDHUKMDKH-DLBZAZTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)N[C@H]([NH3+])CCC[NH3+] ZINC001246302374 804268598 /nfs/dbraw/zinc/26/85/98/804268598.db2.gz XYAPNVRPFHEKAU-CVEARBPZSA-N 2 1 271.493 3.375 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246302374 804268605 /nfs/dbraw/zinc/26/86/05/804268605.db2.gz XYAPNVRPFHEKAU-CVEARBPZSA-N 3 1 271.493 3.375 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246320052 804279451 /nfs/dbraw/zinc/27/94/51/804279451.db2.gz ZAWGPSQITKQKRJ-KFWWJZLASA-N 2 1 274.408 3.043 20 30 CGEDMP C#C[C@@H]1CCC[N@H+](Cc2ccccc2-n2ccnc2C)C1 ZINC001140026655 804354677 /nfs/dbraw/zinc/35/46/77/804354677.db2.gz OUUXJNTUGWKQAQ-MRXNPFEDSA-N 2 1 279.387 3.026 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246585612 804429086 /nfs/dbraw/zinc/42/90/86/804429086.db2.gz PLDZYPBBHQEXBQ-BBWFWOEESA-N 2 1 284.488 3.157 20 30 CGEDMP CC[C@@H]1CC([N@@H+]2CCc3cc(C#N)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246594495 804435766 /nfs/dbraw/zinc/43/57/66/804435766.db2.gz WCLLSYOZXCMEFJ-QZTJIDSGSA-N 2 1 297.446 3.226 20 30 CGEDMP CC[C@@H]1CC([N@H+]2CCc3cc(C#N)ccc3C2)C[C@@H](CC)[NH2+]1 ZINC001246594495 804435776 /nfs/dbraw/zinc/43/57/76/804435776.db2.gz WCLLSYOZXCMEFJ-QZTJIDSGSA-N 2 1 297.446 3.226 20 30 CGEDMP CCCCCCC[N@@H+](CC)[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246769483 804502922 /nfs/dbraw/zinc/50/29/22/804502922.db2.gz KWMCGWJVKYNTAS-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246842561 804550176 /nfs/dbraw/zinc/55/01/76/804550176.db2.gz ZAAGKFPSFNVBNM-HUUCEWRRSA-N 2 1 258.409 3.204 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246842561 804550181 /nfs/dbraw/zinc/55/01/81/804550181.db2.gz ZAAGKFPSFNVBNM-HUUCEWRRSA-N 2 1 258.409 3.204 20 30 CGEDMP C=C(C)C[N@@H+](CC)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246856089 804564467 /nfs/dbraw/zinc/56/44/67/804564467.db2.gz YWRPJYCYPCFYMI-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP C=C(C)C[N@H+](CC)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246856089 804564473 /nfs/dbraw/zinc/56/44/73/804564473.db2.gz YWRPJYCYPCFYMI-SJORKVTESA-N 2 1 258.409 3.378 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867627 804570007 /nfs/dbraw/zinc/57/00/07/804570007.db2.gz PSZCCODVNANGRB-JYJNAYRXSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867627 804570011 /nfs/dbraw/zinc/57/00/11/804570011.db2.gz PSZCCODVNANGRB-JYJNAYRXSA-N 2 1 252.446 3.419 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246868605 804571404 /nfs/dbraw/zinc/57/14/04/804571404.db2.gz BFNRMMKWUYVEIZ-HUUCEWRRSA-N 2 1 252.446 3.441 20 30 CGEDMP C=CCCCC[N@H+](C)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246871973 804573385 /nfs/dbraw/zinc/57/33/85/804573385.db2.gz SIVWOOSGCBVUJL-CVEARBPZSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246941030 804610459 /nfs/dbraw/zinc/61/04/59/804610459.db2.gz XVDNBUHALSXUES-KRWDZBQOSA-N 2 1 295.515 3.153 20 30 CGEDMP C=CCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2OC)CC1 ZINC001258722781 807571045 /nfs/dbraw/zinc/57/10/45/807571045.db2.gz NAJWUJWNXKYJFF-OAHLLOKOSA-N 2 1 288.435 3.300 20 30 CGEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001171179252 808000889 /nfs/dbraw/zinc/00/08/89/808000889.db2.gz PTZQWMACQGIVOK-MRXNPFEDSA-N 2 1 299.462 3.473 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171232718 808016090 /nfs/dbraw/zinc/01/60/90/808016090.db2.gz VXCURTSKRNDMHK-MRXNPFEDSA-N 2 1 287.451 3.153 20 30 CGEDMP C[NH+]1C(C)(C)CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1(C)C ZINC001171639554 808111384 /nfs/dbraw/zinc/11/13/84/808111384.db2.gz OREZHRJTFWWTMQ-QKDCVEJESA-N 2 1 289.467 3.404 20 30 CGEDMP C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172063555 808169999 /nfs/dbraw/zinc/16/99/99/808169999.db2.gz AOHFAIDIYSCSOS-LDLYASANSA-N 2 1 294.442 3.328 20 30 CGEDMP C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063555 808170000 /nfs/dbraw/zinc/17/00/00/808170000.db2.gz AOHFAIDIYSCSOS-LDLYASANSA-N 2 1 294.442 3.328 20 30 CGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119368 808182932 /nfs/dbraw/zinc/18/29/32/808182932.db2.gz YXCBPGNLXZZDMJ-OAFZBRQQSA-N 2 1 295.430 3.150 20 30 CGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3c1cccc3C#N)C2 ZINC001172119368 808182934 /nfs/dbraw/zinc/18/29/34/808182934.db2.gz YXCBPGNLXZZDMJ-OAFZBRQQSA-N 2 1 295.430 3.150 20 30 CGEDMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001173114323 808513293 /nfs/dbraw/zinc/51/32/93/808513293.db2.gz GLHDSTDNHWSAFU-KLAILNCOSA-N 2 1 277.456 3.265 20 30 CGEDMP C=CCOC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001173318076 808610047 /nfs/dbraw/zinc/61/00/47/808610047.db2.gz PDZMSLABTAOETB-GGZUSFGKSA-N 2 1 292.467 3.105 20 30 CGEDMP C=CCOC1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001173318076 808610049 /nfs/dbraw/zinc/61/00/49/808610049.db2.gz PDZMSLABTAOETB-GGZUSFGKSA-N 2 1 292.467 3.105 20 30 CGEDMP C=CCOC1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001173319611 808610298 /nfs/dbraw/zinc/61/02/98/808610298.db2.gz OPUBLMNZFXNTRH-WWDZGPRUSA-N 2 1 294.483 3.341 20 30 CGEDMP CCC[NH+](CCC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584601 808646444 /nfs/dbraw/zinc/64/64/44/808646444.db2.gz CCFRIEPKVKOPFH-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC001173591958 808648626 /nfs/dbraw/zinc/64/86/26/808648626.db2.gz AIWNDXRYGWLMQQ-GYXIZQIFSA-N 2 1 277.456 3.167 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001275131407 808914538 /nfs/dbraw/zinc/91/45/38/808914538.db2.gz RAAWGYJNQHZFKF-ROUUACIJSA-N 2 1 295.515 3.057 20 30 CGEDMP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001275975948 808980504 /nfs/dbraw/zinc/98/05/04/808980504.db2.gz SUHQFKULBAOAGT-SFHVURJKSA-N 2 1 274.452 3.130 20 30 CGEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001275975948 808980507 /nfs/dbraw/zinc/98/05/07/808980507.db2.gz SUHQFKULBAOAGT-SFHVURJKSA-N 2 1 274.452 3.130 20 30 CGEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001275975948 808980513 /nfs/dbraw/zinc/98/05/13/808980513.db2.gz SUHQFKULBAOAGT-SFHVURJKSA-N 2 1 274.452 3.130 20 30 CGEDMP C=CCCCCCCCCC[N@H+](C)C[C@H]1CNCCO1 ZINC001205376226 812974512 /nfs/dbraw/zinc/97/45/12/812974512.db2.gz DKCJJQFVPOSIQO-QGZVFWFLSA-N 2 1 282.472 3.213 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602239 813017852 /nfs/dbraw/zinc/01/78/52/813017852.db2.gz HUWHXNBQFALXBY-JKSUJKDBSA-N 2 1 252.446 3.430 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205651692 813043224 /nfs/dbraw/zinc/04/32/24/813043224.db2.gz IFSCVOVXKSRLFH-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001206310708 813284220 /nfs/dbraw/zinc/28/42/20/813284220.db2.gz AIZQHEKDUFSATA-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C#CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208946750 813908602 /nfs/dbraw/zinc/90/86/02/813908602.db2.gz WQBYJXCHCASLJP-FQEVSTJZSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209158583 813952293 /nfs/dbraw/zinc/95/22/93/813952293.db2.gz QRYRZDHSBFSDNN-GJZGRUSLSA-N 2 1 276.449 3.078 20 30 CGEDMP C=CCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001209437866 814036703 /nfs/dbraw/zinc/03/67/03/814036703.db2.gz XAUXYZYOEHVHDS-UHFFFAOYSA-N 2 1 293.455 3.253 20 30 CGEDMP CCCCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017012 818980163 /nfs/dbraw/zinc/98/01/63/818980163.db2.gz LBXXAZQNKPKZBI-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP CCCCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235017012 818980169 /nfs/dbraw/zinc/98/01/69/818980169.db2.gz LBXXAZQNKPKZBI-JKSUJKDBSA-N 2 1 252.446 3.421 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001235238998 819044049 /nfs/dbraw/zinc/04/40/49/819044049.db2.gz DODVYFPLFUFUCM-BRWVUGGUSA-N 2 1 260.425 3.102 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001235238998 819044056 /nfs/dbraw/zinc/04/40/56/819044056.db2.gz DODVYFPLFUFUCM-BRWVUGGUSA-N 2 1 260.425 3.102 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235256125 819050751 /nfs/dbraw/zinc/05/07/51/819050751.db2.gz QDTIBBXHRZFWRU-YFYYJQLKSA-N 2 1 250.430 3.325 20 30 CGEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C#N)c1 ZINC001235425144 819092906 /nfs/dbraw/zinc/09/29/06/819092906.db2.gz IKKOZELRDVSFMT-SJORKVTESA-N 2 1 297.446 3.078 20 30 CGEDMP CCCCCCC[N@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663883 819132381 /nfs/dbraw/zinc/13/23/81/819132381.db2.gz XRNAEKZMHAPPFV-UONOGXRCSA-N 2 1 276.415 3.379 20 30 CGEDMP CCCCCCC[N@@H+](C)C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001235663883 819132386 /nfs/dbraw/zinc/13/23/86/819132386.db2.gz XRNAEKZMHAPPFV-UONOGXRCSA-N 2 1 276.415 3.379 20 30 CGEDMP C#CCCC[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236518926 819512639 /nfs/dbraw/zinc/51/26/39/819512639.db2.gz YSAHVXQZYNNBKT-UHFFFAOYSA-N 2 1 288.410 3.102 20 30 CGEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C1 ZINC001473927261 937831010 /nfs/dbraw/zinc/83/10/10/937831010.db2.gz ZNKYAVZLRWNYRD-OAGGEKHMSA-N 2 1 250.430 3.195 20 30 CGEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001576598275 962477376 /nfs/dbraw/zinc/47/73/76/962477376.db2.gz LKQRSRUJGCSVPC-MAUKXSAKSA-N 2 1 285.435 3.157 20 30 CGEDMP N#CC1(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CCCCC1 ZINC001580039039 962687419 /nfs/dbraw/zinc/68/74/19/962687419.db2.gz YITQRQLWILBMPC-SJORKVTESA-N 2 1 289.467 3.315 20 30 CGEDMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000593181842 347048808 /nfs/dbraw/zinc/04/88/08/347048808.db2.gz KPINJHMRWCVNGZ-HNNXBMFYSA-N 2 1 273.424 3.187 20 30 CGEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000593181842 347048812 /nfs/dbraw/zinc/04/88/12/347048812.db2.gz KPINJHMRWCVNGZ-HNNXBMFYSA-N 2 1 273.424 3.187 20 30 CGEDMP CC[N@@H+](Cc1cnc(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984951 347524787 /nfs/dbraw/zinc/52/47/87/347524787.db2.gz YPNOEDUBAMDPQP-CYBMUJFWSA-N 2 1 282.391 3.183 20 30 CGEDMP CCN(Cc1cnc(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984951 347524791 /nfs/dbraw/zinc/52/47/91/347524791.db2.gz YPNOEDUBAMDPQP-CYBMUJFWSA-N 2 1 282.391 3.183 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602439153 347958121 /nfs/dbraw/zinc/95/81/21/347958121.db2.gz GXPJMLLLVZCZCW-MRXNPFEDSA-N 2 1 279.472 3.370 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000602512662 347973503 /nfs/dbraw/zinc/97/35/03/347973503.db2.gz LPUYLYHDTDAJLQ-INIZCTEOSA-N 2 1 273.424 3.038 20 30 CGEDMP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000176971246 189017385 /nfs/dbraw/zinc/01/73/85/189017385.db2.gz WIQFHPSVEPKUMW-CQSZACIVSA-N 2 1 279.453 3.076 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000176963209 189017731 /nfs/dbraw/zinc/01/77/31/189017731.db2.gz KJPPQESHZDVMTR-UHFFFAOYSA-N 2 1 299.443 3.361 20 30 CGEDMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412615 189192172 /nfs/dbraw/zinc/19/21/72/189192172.db2.gz YFOWXVDVMOPSPZ-KRWDZBQOSA-N 2 1 283.419 3.007 20 30 CGEDMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412615 189192173 /nfs/dbraw/zinc/19/21/73/189192173.db2.gz YFOWXVDVMOPSPZ-KRWDZBQOSA-N 2 1 283.419 3.007 20 30 CGEDMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412615 189192174 /nfs/dbraw/zinc/19/21/74/189192174.db2.gz YFOWXVDVMOPSPZ-KRWDZBQOSA-N 2 1 283.419 3.007 20 30 CGEDMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412615 189192175 /nfs/dbraw/zinc/19/21/75/189192175.db2.gz YFOWXVDVMOPSPZ-KRWDZBQOSA-N 2 1 283.419 3.007 20 30 CGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699973 189304463 /nfs/dbraw/zinc/30/44/63/189304463.db2.gz WEEFCDIVKYVRKZ-RDJZCZTQSA-N 2 1 285.435 3.329 20 30 CGEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275639709 193092805 /nfs/dbraw/zinc/09/28/05/193092805.db2.gz SXDVFZGRKPSZFK-HUUCEWRRSA-N 2 1 261.413 3.170 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275780530 193125897 /nfs/dbraw/zinc/12/58/97/193125897.db2.gz WDBFSKUISXRMCB-WBVHZDCISA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275780530 193125899 /nfs/dbraw/zinc/12/58/99/193125899.db2.gz WDBFSKUISXRMCB-WBVHZDCISA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000276389563 193311586 /nfs/dbraw/zinc/31/15/86/193311586.db2.gz BIADKSLJTRDBBU-GOEBONIOSA-N 2 1 274.408 3.361 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389563 193311587 /nfs/dbraw/zinc/31/15/87/193311587.db2.gz BIADKSLJTRDBBU-GOEBONIOSA-N 2 1 274.408 3.361 20 30 CGEDMP N#CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664777 370063279 /nfs/dbraw/zinc/06/32/79/370063279.db2.gz YSKCGWHQUKCFGC-KURKYZTESA-N 2 1 283.419 3.248 20 30 CGEDMP N#CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664777 370063285 /nfs/dbraw/zinc/06/32/85/370063285.db2.gz YSKCGWHQUKCFGC-KURKYZTESA-N 2 1 283.419 3.248 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088614 370108287 /nfs/dbraw/zinc/10/82/87/370108287.db2.gz YBWNFBQSJKJSBL-UHFFFAOYSA-N 2 1 288.435 3.025 20 30 CGEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(C)(C)CCC#N ZINC000093660245 370154309 /nfs/dbraw/zinc/15/43/09/370154309.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)CCC#N ZINC000093660245 370154314 /nfs/dbraw/zinc/15/43/14/370154314.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)CCC#N ZINC000093660245 370154320 /nfs/dbraw/zinc/15/43/20/370154320.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 2 1 265.445 3.123 20 30 CGEDMP N#CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229116 370321346 /nfs/dbraw/zinc/32/13/46/370321346.db2.gz YSVHXLQCXHWESW-QGZVFWFLSA-N 2 1 277.456 3.268 20 30 CGEDMP C=CC[N@@H+](CC)CCCC1CC[NH+](CC=C)CC1 ZINC000154668931 371864934 /nfs/dbraw/zinc/86/49/34/371864934.db2.gz YLWQAQBRZUUEDW-UHFFFAOYSA-N 2 1 250.430 3.173 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000294865444 372676853 /nfs/dbraw/zinc/67/68/53/372676853.db2.gz CICBGSOUDAHNIH-JSGCOSHPSA-N 2 1 294.489 3.218 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000294865444 372676859 /nfs/dbraw/zinc/67/68/59/372676859.db2.gz CICBGSOUDAHNIH-JSGCOSHPSA-N 2 1 294.489 3.218 20 30 CGEDMP C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435386107 372755584 /nfs/dbraw/zinc/75/55/84/372755584.db2.gz SUFDVBNSGVODKU-QGZVFWFLSA-N 2 1 288.435 3.215 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000442710479 373068325 /nfs/dbraw/zinc/06/83/25/373068325.db2.gz CQDMUWDDOBCJQO-OAGGEKHMSA-N 2 1 265.445 3.025 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442716563 373070852 /nfs/dbraw/zinc/07/08/52/373070852.db2.gz MPXHMLVPQQLNTN-YYIAUSFCSA-N 2 1 277.456 3.026 20 30 CGEDMP C[N@H+](CC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449102468 373661413 /nfs/dbraw/zinc/66/14/13/373661413.db2.gz KGCUXMKHJKMFDB-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP C[N@@H+](CC[NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000449102468 373661419 /nfs/dbraw/zinc/66/14/19/373661419.db2.gz KGCUXMKHJKMFDB-UHFFFAOYSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449284183 373677693 /nfs/dbraw/zinc/67/76/93/373677693.db2.gz OGALMDGZZANMTD-SJORKVTESA-N 2 1 282.472 3.212 20 30 CGEDMP C=CCCCC[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449284183 373677696 /nfs/dbraw/zinc/67/76/96/373677696.db2.gz OGALMDGZZANMTD-SJORKVTESA-N 2 1 282.472 3.212 20 30 CGEDMP C=C(C)[C@H](NCc1c[nH+]c(C)n1C)c1ccc(F)c(F)c1 ZINC000521463137 375875836 /nfs/dbraw/zinc/87/58/36/375875836.db2.gz ZSWSPSMSFWJLML-INIZCTEOSA-N 2 1 291.345 3.414 20 30 CGEDMP N#CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068631 377263829 /nfs/dbraw/zinc/26/38/29/377263829.db2.gz MJJSCNWTVUFDNU-RTBURBONSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248068631 377263835 /nfs/dbraw/zinc/26/38/35/377263835.db2.gz MJJSCNWTVUFDNU-RTBURBONSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248068631 377263843 /nfs/dbraw/zinc/26/38/43/377263843.db2.gz MJJSCNWTVUFDNU-RTBURBONSA-N 2 1 297.446 3.277 20 30 CGEDMP N#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068631 377263846 /nfs/dbraw/zinc/26/38/46/377263846.db2.gz MJJSCNWTVUFDNU-RTBURBONSA-N 2 1 297.446 3.277 20 30 CGEDMP C=CCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346686867 378674629 /nfs/dbraw/zinc/67/46/29/378674629.db2.gz UWGJCGKEZUBQLC-QGZVFWFLSA-N 2 1 276.424 3.057 20 30 CGEDMP C=CCOCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348056191 378769530 /nfs/dbraw/zinc/76/95/30/378769530.db2.gz NVYCECKIPOKUJT-HNNXBMFYSA-N 2 1 299.418 3.424 20 30 CGEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277319118 379129585 /nfs/dbraw/zinc/12/95/85/379129585.db2.gz BZIGZHLRCNPDGO-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277319118 379129594 /nfs/dbraw/zinc/12/95/94/379129594.db2.gz BZIGZHLRCNPDGO-KRWDZBQOSA-N 2 1 288.435 3.168 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672529 379593320 /nfs/dbraw/zinc/59/33/20/379593320.db2.gz NVCUDPBQVMLAQS-FUHWJXTLSA-N 2 1 297.446 3.180 20 30 CGEDMP C[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347223076 393101756 /nfs/dbraw/zinc/10/17/56/393101756.db2.gz KCBXHELVSLEPES-GJZGRUSLSA-N 2 1 277.456 3.169 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434946 393040851 /nfs/dbraw/zinc/04/08/51/393040851.db2.gz QAWNPIAHDHKHSF-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434946 393040858 /nfs/dbraw/zinc/04/08/58/393040858.db2.gz QAWNPIAHDHKHSF-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434946 393040863 /nfs/dbraw/zinc/04/08/63/393040863.db2.gz QAWNPIAHDHKHSF-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434946 393040870 /nfs/dbraw/zinc/04/08/70/393040870.db2.gz QAWNPIAHDHKHSF-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000414187800 393043565 /nfs/dbraw/zinc/04/35/65/393043565.db2.gz PYXFECSOVFRNDW-WMZOPIPTSA-N 2 1 285.435 3.331 20 30 CGEDMP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000488425196 393508820 /nfs/dbraw/zinc/50/88/20/393508820.db2.gz FXHGLOVIJDQFPR-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000488425196 393508827 /nfs/dbraw/zinc/50/88/27/393508827.db2.gz FXHGLOVIJDQFPR-IBGZPJMESA-N 2 1 297.446 3.317 20 30 CGEDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499225 393672387 /nfs/dbraw/zinc/67/23/87/393672387.db2.gz IZKBHECXLHQHOC-IRXDYDNUSA-N 2 1 271.408 3.116 20 30 CGEDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000453415198 394240130 /nfs/dbraw/zinc/24/01/30/394240130.db2.gz XGDCBAYZZDPRKT-CQSZACIVSA-N 2 1 271.408 3.083 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782083 287132037 /nfs/dbraw/zinc/13/20/37/287132037.db2.gz WICICPABVSRVRC-DOTOQJQBSA-N 2 1 283.419 3.037 20 30 CGEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150782083 287132038 /nfs/dbraw/zinc/13/20/38/287132038.db2.gz WICICPABVSRVRC-DOTOQJQBSA-N 2 1 283.419 3.037 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000657992377 419480931 /nfs/dbraw/zinc/48/09/31/419480931.db2.gz ISVPMLILYMJNPY-KZNAEPCWSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000657992377 419480940 /nfs/dbraw/zinc/48/09/40/419480940.db2.gz ISVPMLILYMJNPY-KZNAEPCWSA-N 2 1 294.483 3.212 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029963 419504011 /nfs/dbraw/zinc/50/40/11/419504011.db2.gz UFAFCMSQRWRXSF-AKBNIOSXSA-N 2 1 262.441 3.336 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000414125767 262807307 /nfs/dbraw/zinc/80/73/07/262807307.db2.gz QKXAATINHOSRQR-HZPDHXFCSA-N 2 1 264.457 3.441 20 30 CGEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCC#N ZINC000273008853 263010889 /nfs/dbraw/zinc/01/08/89/263010889.db2.gz BMTBEIDMNRJDNY-UHFFFAOYSA-N 2 1 273.424 3.038 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC(C)(C)C#N ZINC000277732860 263043058 /nfs/dbraw/zinc/04/30/58/263043058.db2.gz OGDOQYRDDOBFSH-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000277732860 263043059 /nfs/dbraw/zinc/04/30/59/263043059.db2.gz OGDOQYRDDOBFSH-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP C=CC[NH+](CCc1ccccc1)CC[C@H]1CCC[N@H+]1C ZINC000340372143 263120617 /nfs/dbraw/zinc/12/06/17/263120617.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[NH+](CCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000340372143 263120618 /nfs/dbraw/zinc/12/06/18/263120618.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[N@@H+](CCc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000340372143 263120619 /nfs/dbraw/zinc/12/06/19/263120619.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000340372143 263120620 /nfs/dbraw/zinc/12/06/20/263120620.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 2 1 272.436 3.201 20 30 CGEDMP C[N@@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375516 263121146 /nfs/dbraw/zinc/12/11/46/263121146.db2.gz JNCSEUKNNPCGRZ-IRXDYDNUSA-N 2 1 283.419 3.105 20 30 CGEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375516 263121147 /nfs/dbraw/zinc/12/11/47/263121147.db2.gz JNCSEUKNNPCGRZ-IRXDYDNUSA-N 2 1 283.419 3.105 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376385387 290218680 /nfs/dbraw/zinc/21/86/80/290218680.db2.gz MCJXDFKMRGUMTI-MRXNPFEDSA-N 2 1 297.446 3.427 20 30 CGEDMP C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146222 330121888 /nfs/dbraw/zinc/12/18/88/330121888.db2.gz ZORLFDVCKZOYOH-LPHOPBHVSA-N 2 1 296.458 3.411 20 30 CGEDMP C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423136660 330172081 /nfs/dbraw/zinc/17/20/81/330172081.db2.gz VNNVFXAIXVJDMA-PVAVHDDUSA-N 2 1 271.408 3.152 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000539202597 333661065 /nfs/dbraw/zinc/66/10/65/333661065.db2.gz QAMIXKPJBVQZAD-DLBZAZTESA-N 2 1 262.441 3.195 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894304 334321131 /nfs/dbraw/zinc/32/11/31/334321131.db2.gz SYRBQSILSUSYCC-TWMKSMIVSA-N 2 1 291.483 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181717909 335780431 /nfs/dbraw/zinc/78/04/31/335780431.db2.gz FOKLDOJIAUFZGT-DLBZAZTESA-N 2 1 294.483 3.210 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000730020178 571941469 /nfs/dbraw/zinc/94/14/69/571941469.db2.gz ZRTODZGNZGTRLW-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP C=CCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310909987 618875837 /nfs/dbraw/zinc/87/58/37/618875837.db2.gz GXUJZRMBQDBNAW-HOTGVXAUSA-N 2 1 250.430 3.339 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930601559 619028547 /nfs/dbraw/zinc/02/85/47/619028547.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930601559 619028550 /nfs/dbraw/zinc/02/85/50/619028550.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000930601559 619028553 /nfs/dbraw/zinc/02/85/53/619028553.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 2 1 297.446 3.093 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CC[NH3+] ZINC000903768413 621803917 /nfs/dbraw/zinc/80/39/17/621803917.db2.gz MTELAROYOXWROM-HOTGVXAUSA-N 2 1 277.456 3.300 20 30 CGEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811545 621814145 /nfs/dbraw/zinc/81/41/45/621814145.db2.gz MSKKDNJXVMPVNS-QGZVFWFLSA-N 2 1 283.419 3.042 20 30 CGEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811545 621814147 /nfs/dbraw/zinc/81/41/47/621814147.db2.gz MSKKDNJXVMPVNS-QGZVFWFLSA-N 2 1 283.419 3.042 20 30 CGEDMP C=CC[N@H+](Cc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877664 621825332 /nfs/dbraw/zinc/82/53/32/621825332.db2.gz OVFAIAFGJULSIA-GOOCMWNKSA-N 2 1 276.449 3.267 20 30 CGEDMP CCCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000795309450 629657906 /nfs/dbraw/zinc/65/79/06/629657906.db2.gz JPFDIRICFALPGO-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000795309450 629657910 /nfs/dbraw/zinc/65/79/10/629657910.db2.gz JPFDIRICFALPGO-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000795309450 629657917 /nfs/dbraw/zinc/65/79/17/629657917.db2.gz JPFDIRICFALPGO-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000809594900 630756849 /nfs/dbraw/zinc/75/68/49/630756849.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000809594900 630756854 /nfs/dbraw/zinc/75/68/54/630756854.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 2 1 294.442 3.117 20 30 CGEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000809594900 630756859 /nfs/dbraw/zinc/75/68/59/630756859.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 2 1 294.442 3.117 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000815651735 631813764 /nfs/dbraw/zinc/81/37/64/631813764.db2.gz BQTXITDKAKERLS-HUUCEWRRSA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000815651735 631813769 /nfs/dbraw/zinc/81/37/69/631813769.db2.gz BQTXITDKAKERLS-HUUCEWRRSA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000815652618 631814362 /nfs/dbraw/zinc/81/43/62/631814362.db2.gz JWEDZCIXHSPEER-CYBMUJFWSA-N 2 1 298.883 3.267 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000815652618 631814365 /nfs/dbraw/zinc/81/43/65/631814365.db2.gz JWEDZCIXHSPEER-CYBMUJFWSA-N 2 1 298.883 3.267 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000876763561 634895542 /nfs/dbraw/zinc/89/55/42/634895542.db2.gz KLVCAKFNBXFAOD-IAGOWNOFSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000876763561 634895547 /nfs/dbraw/zinc/89/55/47/634895547.db2.gz KLVCAKFNBXFAOD-IAGOWNOFSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000876763561 634895551 /nfs/dbraw/zinc/89/55/51/634895551.db2.gz KLVCAKFNBXFAOD-IAGOWNOFSA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842685816 635441661 /nfs/dbraw/zinc/44/16/61/635441661.db2.gz IEZYXLPMCYSLOR-GOSISDBHSA-N 2 1 282.431 3.187 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842685816 635441663 /nfs/dbraw/zinc/44/16/63/635441663.db2.gz IEZYXLPMCYSLOR-GOSISDBHSA-N 2 1 282.431 3.187 20 30 CGEDMP C#CC[N@H+](CCCn1ccnc1C)[C@H]1CCc2ccccc21 ZINC000127314084 635620097 /nfs/dbraw/zinc/62/00/97/635620097.db2.gz DJEPYADXTCKWGC-IBGZPJMESA-N 2 1 293.414 3.204 20 30 CGEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000127314084 635620100 /nfs/dbraw/zinc/62/01/00/635620100.db2.gz DJEPYADXTCKWGC-IBGZPJMESA-N 2 1 293.414 3.204 20 30 CGEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000127314084 635620104 /nfs/dbraw/zinc/62/01/04/635620104.db2.gz DJEPYADXTCKWGC-IBGZPJMESA-N 2 1 293.414 3.204 20 30 CGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC000880517207 636013132 /nfs/dbraw/zinc/01/31/32/636013132.db2.gz MFXFVDGXYPIBFD-UHFFFAOYSA-N 2 1 291.464 3.318 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924750989 638399145 /nfs/dbraw/zinc/39/91/45/638399145.db2.gz HZIGGZHSWDAXIK-CABCVRRESA-N 2 1 279.472 3.415 20 30 CGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000924750989 638399147 /nfs/dbraw/zinc/39/91/47/638399147.db2.gz HZIGGZHSWDAXIK-CABCVRRESA-N 2 1 279.472 3.415 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379650054 799351682 /nfs/dbraw/zinc/35/16/82/799351682.db2.gz QOXOXPHPIHJFGC-SJLPKXTDSA-N 2 1 270.420 3.043 20 30 CGEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379650054 799351688 /nfs/dbraw/zinc/35/16/88/799351688.db2.gz QOXOXPHPIHJFGC-SJLPKXTDSA-N 2 1 270.420 3.043 20 30 CGEDMP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC001256069654 806810314 /nfs/dbraw/zinc/81/03/14/806810314.db2.gz KUMHNIVJPNVWSY-LJQANCHMSA-N 2 1 297.446 3.472 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CCN(C2CC2)CC1 ZINC001256081958 806816040 /nfs/dbraw/zinc/81/60/40/806816040.db2.gz OXHFPYRTCWEEDW-UHFFFAOYSA-N 2 1 262.441 3.434 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001246016411 804096824 /nfs/dbraw/zinc/09/68/24/804096824.db2.gz LLMCWTOXZQDFRE-XLAORIBOSA-N 2 1 296.499 3.015 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246034463 804101872 /nfs/dbraw/zinc/10/18/72/804101872.db2.gz QTYNAQXWLPUDLC-XSLAGTTESA-N 2 1 296.499 3.300 20 30 CGEDMP CCCCCCC[C@@H](CC(C)C)[NH2+][C@]1(CO)CC[NH2+]C1 ZINC001246287674 804261092 /nfs/dbraw/zinc/26/10/92/804261092.db2.gz KGZIGYLUNUBFMR-DLBZAZTESA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246302027 804267606 /nfs/dbraw/zinc/26/76/06/804267606.db2.gz ZVECQYXXCOELFC-ULQDDVLXSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC001246302239 804268583 /nfs/dbraw/zinc/26/85/83/804268583.db2.gz BZFOLQPMRQSRBD-XHSDSOJGSA-N 2 1 298.471 3.018 20 30 CGEDMP CCCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246307768 804271238 /nfs/dbraw/zinc/27/12/38/804271238.db2.gz NFPGKTMRCOVFDW-IKGGRYGDSA-N 2 1 284.488 3.076 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCC(C)C ZINC001246312352 804274304 /nfs/dbraw/zinc/27/43/04/804274304.db2.gz OGHCNUUKOIEACI-CVEARBPZSA-N 2 1 298.471 3.018 20 30 CGEDMP CCCC(C[NH3+])(CCC)[NH2+]C1CCC(C)(C#N)CC1 ZINC001246501035 804363239 /nfs/dbraw/zinc/36/32/39/804363239.db2.gz JZPZXUXETZDJEE-UHFFFAOYSA-N 2 1 265.445 3.346 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640631 804467048 /nfs/dbraw/zinc/46/70/48/804467048.db2.gz AIEDKYGPYWQKPA-INIZCTEOSA-N 2 1 282.472 3.190 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246640631 804467053 /nfs/dbraw/zinc/46/70/53/804467053.db2.gz AIEDKYGPYWQKPA-INIZCTEOSA-N 2 1 282.472 3.190 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@]34CC[NH2+]C4)C[C@H](C1)C2 ZINC001246646385 804474130 /nfs/dbraw/zinc/47/41/30/804474130.db2.gz ZIBILORXRSNAFD-UJJTZGENSA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246985661 804629084 /nfs/dbraw/zinc/62/90/84/804629084.db2.gz LDIXWCOEAKXJIQ-QGZVFWFLSA-N 2 1 297.531 3.351 20 30 CGEDMP CCCCCCC[C@@H](C)[N@@H+](CCN(C)C)C1CC[NH2+]CC1 ZINC001246985661 804629087 /nfs/dbraw/zinc/62/90/87/804629087.db2.gz LDIXWCOEAKXJIQ-QGZVFWFLSA-N 2 1 297.531 3.351 20 30 CGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC001169233553 807611193 /nfs/dbraw/zinc/61/11/93/807611193.db2.gz TURXNYMOQHIDHC-OAHLLOKOSA-N 2 1 288.435 3.386 20 30 CGEDMP CCC[N@@H+](CCC[NH3+])C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359000 807830167 /nfs/dbraw/zinc/83/01/67/807830167.db2.gz LCZIEFBWMVDSJL-UHFFFAOYSA-N 2 1 299.462 3.451 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172354481 808250644 /nfs/dbraw/zinc/25/06/44/808250644.db2.gz HMICDQQIFVQFSS-GOSISDBHSA-N 2 1 297.531 3.305 20 30 CGEDMP CCCC[N@H+](CC)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173325572 808613085 /nfs/dbraw/zinc/61/30/85/808613085.db2.gz KNTBWTOJJBRWRF-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@@H+](CC)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173325572 808613089 /nfs/dbraw/zinc/61/30/89/808613089.db2.gz KNTBWTOJJBRWRF-UHFFFAOYSA-N 2 1 265.445 3.170 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328227 808613677 /nfs/dbraw/zinc/61/36/77/808613677.db2.gz SQXISWCDUXAKQN-KLAILNCOSA-N 2 1 277.456 3.313 20 30 CGEDMP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274961773 808895732 /nfs/dbraw/zinc/89/57/32/808895732.db2.gz ALJTWPGPZOCINH-GOSISDBHSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001274961773 808895739 /nfs/dbraw/zinc/89/57/39/808895739.db2.gz ALJTWPGPZOCINH-GOSISDBHSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001274961773 808895744 /nfs/dbraw/zinc/89/57/44/808895744.db2.gz ALJTWPGPZOCINH-GOSISDBHSA-N 2 1 287.451 3.269 20 30 CGEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001274961773 808895752 /nfs/dbraw/zinc/89/57/52/808895752.db2.gz ALJTWPGPZOCINH-GOSISDBHSA-N 2 1 287.451 3.269 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001205255502 812919260 /nfs/dbraw/zinc/91/92/60/812919260.db2.gz JPIOCCDDRRYXMK-IAGOWNOFSA-N 2 1 262.441 3.492 20 30 CGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205651648 813042569 /nfs/dbraw/zinc/04/25/69/813042569.db2.gz HVVCGQMDINWCNO-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206022820 813168601 /nfs/dbraw/zinc/16/86/01/813168601.db2.gz CXZKKEPHIQAVKR-OCCSQVGLSA-N 2 1 291.826 3.018 20 30 CGEDMP CCc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC001206606767 813372527 /nfs/dbraw/zinc/37/25/27/813372527.db2.gz RQXQSTCEFXOAPD-LJQANCHMSA-N 2 1 299.462 3.473 20 30 CGEDMP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025493 818983073 /nfs/dbraw/zinc/98/30/73/818983073.db2.gz CMYWUXNNZWXUND-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035121 818986042 /nfs/dbraw/zinc/98/60/42/818986042.db2.gz BBCGKHCRJWJUGX-RKQNLGICSA-N 2 1 294.483 3.213 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109459 819005266 /nfs/dbraw/zinc/00/52/66/819005266.db2.gz FRUYDMPQKKJZJT-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235109459 819005269 /nfs/dbraw/zinc/00/52/69/819005269.db2.gz FRUYDMPQKKJZJT-MRXNPFEDSA-N 2 1 250.430 3.341 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001235112277 819007023 /nfs/dbraw/zinc/00/70/23/819007023.db2.gz ZOEWSDQGGNRUBS-SJORKVTESA-N 2 1 260.425 3.117 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001235112277 819007026 /nfs/dbraw/zinc/00/70/26/819007026.db2.gz ZOEWSDQGGNRUBS-SJORKVTESA-N 2 1 260.425 3.117 20 30 CGEDMP CCCCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710708 819146941 /nfs/dbraw/zinc/14/69/41/819146941.db2.gz DRVGSKYYGRAHAJ-UHFFFAOYSA-N 2 1 252.446 3.422 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001235952484 819243552 /nfs/dbraw/zinc/24/35/52/819243552.db2.gz XZUIZNXAFDUWQA-IAGOWNOFSA-N 2 1 262.441 3.220 20 30 CGEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963093 819251792 /nfs/dbraw/zinc/25/17/92/819251792.db2.gz UFCPOCDUIAGEPV-GDBMZVCRSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001235963093 819251798 /nfs/dbraw/zinc/25/17/98/819251798.db2.gz UFCPOCDUIAGEPV-GDBMZVCRSA-N 2 1 294.389 3.165 20 30 CGEDMP C=CCCCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236084909 819307089 /nfs/dbraw/zinc/30/70/89/819307089.db2.gz GKUHXIDFDMQRDO-UHFFFAOYSA-N 2 1 258.409 3.120 20 30 CGEDMP C#CCCC[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451493 819484948 /nfs/dbraw/zinc/48/49/48/819484948.db2.gz SOKMZAFPJPKSHF-UHFFFAOYSA-N 2 1 290.838 3.307 20 30 CGEDMP C#CCCC[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451493 819484953 /nfs/dbraw/zinc/48/49/53/819484953.db2.gz SOKMZAFPJPKSHF-UHFFFAOYSA-N 2 1 290.838 3.307 20 30 CGEDMP C=CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383448 819737732 /nfs/dbraw/zinc/73/77/32/819737732.db2.gz PFRYTSGMCFLULE-HOTGVXAUSA-N 2 1 250.430 3.197 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000328002153 926895517 /nfs/dbraw/zinc/89/55/17/926895517.db2.gz OADKEYFIEJZXMP-INIZCTEOSA-N 2 1 288.435 3.081 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000328002153 926895526 /nfs/dbraw/zinc/89/55/26/926895526.db2.gz OADKEYFIEJZXMP-INIZCTEOSA-N 2 1 288.435 3.081 20 30 CGEDMP CCC[N@H+]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001323561671 934406618 /nfs/dbraw/zinc/40/66/18/934406618.db2.gz QDURUPPIICGEJA-XBMUEBEBSA-N 2 1 297.446 3.074 20 30 CGEDMP CCCN1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001323561671 934406622 /nfs/dbraw/zinc/40/66/22/934406622.db2.gz QDURUPPIICGEJA-XBMUEBEBSA-N 2 1 297.446 3.074 20 30 CGEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001473132248 937793801 /nfs/dbraw/zinc/79/38/01/937793801.db2.gz CYPWKLDNOQPRTP-IRXDYDNUSA-N 2 1 264.457 3.395 20 30 CGEDMP C=CCC[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC001473857130 937825286 /nfs/dbraw/zinc/82/52/86/937825286.db2.gz FARQDGLLERCIGL-MRXNPFEDSA-N 2 1 261.413 3.402 20 30 CGEDMP C=CCC[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC001473857130 937825287 /nfs/dbraw/zinc/82/52/87/937825287.db2.gz FARQDGLLERCIGL-MRXNPFEDSA-N 2 1 261.413 3.402 20 30 CGEDMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001577707503 962564188 /nfs/dbraw/zinc/56/41/88/962564188.db2.gz MNUMCJHOGXZNAQ-RDJZCZTQSA-N 2 1 285.435 3.331 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C#N)c1 ZINC000591571042 346929286 /nfs/dbraw/zinc/92/92/86/346929286.db2.gz XKSBBGPHXZPSKK-RZAIGCCYSA-N 2 1 277.371 3.354 20 30 CGEDMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623558 347329743 /nfs/dbraw/zinc/32/97/43/347329743.db2.gz TZWSIBSTHFOKAI-MRXNPFEDSA-N 2 1 294.402 3.306 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535151 347977485 /nfs/dbraw/zinc/97/74/85/347977485.db2.gz OAMRNIADLJVWLT-IEBWSBKVSA-N 2 1 299.462 3.080 20 30 CGEDMP C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000618888401 349176148 /nfs/dbraw/zinc/17/61/48/349176148.db2.gz XHXDUJVUURFBNP-OAGGEKHMSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1 ZINC000271845763 191364324 /nfs/dbraw/zinc/36/43/24/191364324.db2.gz HUIQBWYRTFHCRZ-AWEZNQCLSA-N 2 1 283.419 3.226 20 30 CGEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179174833 189175012 /nfs/dbraw/zinc/17/50/12/189175012.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179174833 189175013 /nfs/dbraw/zinc/17/50/13/189175013.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000179174833 189175014 /nfs/dbraw/zinc/17/50/14/189175014.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179174833 189175015 /nfs/dbraw/zinc/17/50/15/189175015.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 2 1 295.430 3.007 20 30 CGEDMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412601 189192274 /nfs/dbraw/zinc/19/22/74/189192274.db2.gz YFOWXVDVMOPSPZ-QGZVFWFLSA-N 2 1 283.419 3.007 20 30 CGEDMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412601 189192275 /nfs/dbraw/zinc/19/22/75/189192275.db2.gz YFOWXVDVMOPSPZ-QGZVFWFLSA-N 2 1 283.419 3.007 20 30 CGEDMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412601 189192276 /nfs/dbraw/zinc/19/22/76/189192276.db2.gz YFOWXVDVMOPSPZ-QGZVFWFLSA-N 2 1 283.419 3.007 20 30 CGEDMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179412601 189192277 /nfs/dbraw/zinc/19/22/77/189192277.db2.gz YFOWXVDVMOPSPZ-QGZVFWFLSA-N 2 1 283.419 3.007 20 30 CGEDMP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CC1 ZINC000121348254 370854810 /nfs/dbraw/zinc/85/48/10/370854810.db2.gz JNUAPGKOFMSQAI-INIZCTEOSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CCCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090883652 370070512 /nfs/dbraw/zinc/07/05/12/370070512.db2.gz SOBHNLLKXWRJNK-HNNXBMFYSA-N 2 1 299.418 3.424 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000106246129 370351568 /nfs/dbraw/zinc/35/15/68/370351568.db2.gz ZVROXODAIXIVGL-UHFFFAOYSA-N 2 1 258.409 3.125 20 30 CGEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000134157961 371307280 /nfs/dbraw/zinc/30/72/80/371307280.db2.gz PLOMBDQPMOTKCQ-UHFFFAOYSA-N 2 1 289.423 3.095 20 30 CGEDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000423022989 371920908 /nfs/dbraw/zinc/92/09/08/371920908.db2.gz GKORQTAURAAHTO-MAUKXSAKSA-N 2 1 297.446 3.448 20 30 CGEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689023 372375609 /nfs/dbraw/zinc/37/56/09/372375609.db2.gz CVBLFZUHYMPSCW-KZNAEPCWSA-N 2 1 289.467 3.267 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000442690095 373065164 /nfs/dbraw/zinc/06/51/64/373065164.db2.gz VKAQRYUFQZZWEY-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000442690095 373065178 /nfs/dbraw/zinc/06/51/78/373065178.db2.gz VKAQRYUFQZZWEY-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000442690095 373065189 /nfs/dbraw/zinc/06/51/89/373065189.db2.gz VKAQRYUFQZZWEY-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690095 373065201 /nfs/dbraw/zinc/06/52/01/373065201.db2.gz VKAQRYUFQZZWEY-YJBOKZPZSA-N 2 1 297.446 3.283 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000173398661 373135677 /nfs/dbraw/zinc/13/56/77/373135677.db2.gz FMKWDWKQNIEQDL-OAHLLOKOSA-N 2 1 258.409 3.378 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449084305 373661436 /nfs/dbraw/zinc/66/14/36/373661436.db2.gz XLIYFLQDTMYJRH-HRCADAONSA-N 2 1 250.430 3.338 20 30 CGEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449084305 373661442 /nfs/dbraw/zinc/66/14/42/373661442.db2.gz XLIYFLQDTMYJRH-HRCADAONSA-N 2 1 250.430 3.338 20 30 CGEDMP C#CCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000181095573 374079499 /nfs/dbraw/zinc/07/94/99/374079499.db2.gz SKUQSPJKEVPYIV-CQSZACIVSA-N 2 1 299.443 3.198 20 30 CGEDMP CC#CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476644 375192952 /nfs/dbraw/zinc/19/29/52/375192952.db2.gz ICHQHXHWIWASMC-UHFFFAOYSA-N 2 1 296.458 3.388 20 30 CGEDMP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000192921436 375803432 /nfs/dbraw/zinc/80/34/32/375803432.db2.gz XDRZAEUUUQXAQX-GBESFXJTSA-N 2 1 297.446 3.180 20 30 CGEDMP C[N@@H+](CCCCC(C)(C)C#N)CCC[NH+]1CCCC1 ZINC000337275472 376185688 /nfs/dbraw/zinc/18/56/88/376185688.db2.gz QJXVMTWFNUSSMU-UHFFFAOYSA-N 2 1 265.445 3.124 20 30 CGEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089574 377460511 /nfs/dbraw/zinc/46/05/11/377460511.db2.gz CTOZZHCFGUCHFU-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089574 377460520 /nfs/dbraw/zinc/46/05/20/377460520.db2.gz CTOZZHCFGUCHFU-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089574 377460530 /nfs/dbraw/zinc/46/05/30/377460530.db2.gz CTOZZHCFGUCHFU-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089574 377460536 /nfs/dbraw/zinc/46/05/36/377460536.db2.gz CTOZZHCFGUCHFU-NVXWUHKLSA-N 2 1 285.435 3.283 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249156842 377472026 /nfs/dbraw/zinc/47/20/26/377472026.db2.gz XDRZAEUUUQXAQX-CEXWTWQISA-N 2 1 297.446 3.180 20 30 CGEDMP Clc1ccc(C#CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267406613 378037938 /nfs/dbraw/zinc/03/79/38/378037938.db2.gz SDYDXSZVZMDRIP-UHFFFAOYSA-N 2 1 299.805 3.294 20 30 CGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346632639 378654940 /nfs/dbraw/zinc/65/49/40/378654940.db2.gz DHEZAMKCZOGYLJ-JSGCOSHPSA-N 2 1 294.826 3.074 20 30 CGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000346632639 378654944 /nfs/dbraw/zinc/65/49/44/378654944.db2.gz DHEZAMKCZOGYLJ-JSGCOSHPSA-N 2 1 294.826 3.074 20 30 CGEDMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278281341 379333988 /nfs/dbraw/zinc/33/39/88/379333988.db2.gz PXOOTZZFUXWEMR-QGZVFWFLSA-N 2 1 271.408 3.083 20 30 CGEDMP C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000411281446 380138709 /nfs/dbraw/zinc/13/87/09/380138709.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCC1(C#N)CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000411281446 380138718 /nfs/dbraw/zinc/13/87/18/380138718.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C[NH+](CCC1(C#N)CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000411281446 380138728 /nfs/dbraw/zinc/13/87/28/380138728.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744299 392536919 /nfs/dbraw/zinc/53/69/19/392536919.db2.gz NONHOVAXTZKORY-INIZCTEOSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCOc1cccc(C[N@H+](CC)CCC[NH+](C)C)c1 ZINC000349381503 393145633 /nfs/dbraw/zinc/14/56/33/393145633.db2.gz GSGLWWVOPYBTAQ-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP C=CCOc1cccc(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC000349381503 393145642 /nfs/dbraw/zinc/14/56/42/393145642.db2.gz GSGLWWVOPYBTAQ-UHFFFAOYSA-N 2 1 276.424 3.025 20 30 CGEDMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353269424 393217712 /nfs/dbraw/zinc/21/77/12/393217712.db2.gz TVQIXAYUIOKGCE-LJQANCHMSA-N 2 1 297.446 3.256 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657876450 419399534 /nfs/dbraw/zinc/39/95/34/419399534.db2.gz MCLCUPCKFCGEII-ARFHVFGLSA-N 2 1 250.430 3.053 20 30 CGEDMP C=C(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000298545236 260156663 /nfs/dbraw/zinc/15/66/63/260156663.db2.gz UBKWLESFZYDIRK-MRXNPFEDSA-N 2 1 291.345 3.148 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273125798 263013071 /nfs/dbraw/zinc/01/30/71/263013071.db2.gz ANIQZWIFQYNBRB-IPMKNSEASA-N 2 1 297.446 3.180 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000340667924 263277903 /nfs/dbraw/zinc/27/79/03/263277903.db2.gz FBXDGYTYCKPPPA-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000340667924 263277905 /nfs/dbraw/zinc/27/79/05/263277905.db2.gz FBXDGYTYCKPPPA-UHFFFAOYSA-N 2 1 288.435 3.169 20 30 CGEDMP C=CCSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340292729 328253255 /nfs/dbraw/zinc/25/32/55/328253255.db2.gz YRUSGWSXUQWZPE-IRXDYDNUSA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340292729 328253257 /nfs/dbraw/zinc/25/32/57/328253257.db2.gz YRUSGWSXUQWZPE-IRXDYDNUSA-N 2 1 290.476 3.331 20 30 CGEDMP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000340732681 328399531 /nfs/dbraw/zinc/39/95/31/328399531.db2.gz AXYCOLISWTZFSD-JKSUJKDBSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCC[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732681 328399533 /nfs/dbraw/zinc/39/95/33/328399533.db2.gz AXYCOLISWTZFSD-JKSUJKDBSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423109902 330170908 /nfs/dbraw/zinc/17/09/08/330170908.db2.gz TZHHPJUNKVBUBG-IRXDYDNUSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)C1CC1 ZINC000120096815 330384494 /nfs/dbraw/zinc/38/44/94/330384494.db2.gz UNMWLRYXSFDDSK-HOTGVXAUSA-N 2 1 250.430 3.195 20 30 CGEDMP CC(C)[NH+](CC[NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000449057525 330895897 /nfs/dbraw/zinc/89/58/97/330895897.db2.gz CSZYWHVZVBIHIT-UHFFFAOYSA-N 2 1 265.445 3.167 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453105957 331089730 /nfs/dbraw/zinc/08/97/30/331089730.db2.gz XSAMILONYCUOPD-QGZVFWFLSA-N 2 1 262.441 3.195 20 30 CGEDMP N#CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453194697 331099922 /nfs/dbraw/zinc/09/99/22/331099922.db2.gz OPNYCYJMMJKBHY-GUDVDZBRSA-N 2 1 297.446 3.323 20 30 CGEDMP C=C(C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309980507 333052272 /nfs/dbraw/zinc/05/22/72/333052272.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980507 333052273 /nfs/dbraw/zinc/05/22/73/333052273.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=C(C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309980507 333052274 /nfs/dbraw/zinc/05/22/74/333052274.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccs1 ZINC000576049575 335146057 /nfs/dbraw/zinc/14/60/57/335146057.db2.gz FDDGVHVFIKULES-UHFFFAOYSA-N 2 1 275.421 3.102 20 30 CGEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccs1 ZINC000576049575 335146059 /nfs/dbraw/zinc/14/60/59/335146059.db2.gz FDDGVHVFIKULES-UHFFFAOYSA-N 2 1 275.421 3.102 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(C#N)cs1 ZINC000177685716 335378885 /nfs/dbraw/zinc/37/88/85/335378885.db2.gz KWTWNVMVAKONOX-CQSZACIVSA-N 2 1 291.464 3.364 20 30 CGEDMP C=CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381926477 336077858 /nfs/dbraw/zinc/07/78/58/336077858.db2.gz PYTWSUQKDNIDBW-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(CC)c2)CC1 ZINC000581552697 336101755 /nfs/dbraw/zinc/10/17/55/336101755.db2.gz KQTRERNSBBGQIA-UHFFFAOYSA-N 2 1 272.436 3.379 20 30 CGEDMP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347972483 526753162 /nfs/dbraw/zinc/75/31/62/526753162.db2.gz QRFFMIMRQCGOJT-GOSISDBHSA-N 2 1 294.483 3.023 20 30 CGEDMP C=CCCC[N@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000898245187 620496659 /nfs/dbraw/zinc/49/66/59/620496659.db2.gz XYYHXTRBSLKKTL-UHFFFAOYSA-N 2 1 270.380 3.055 20 30 CGEDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC000902731916 621416583 /nfs/dbraw/zinc/41/65/83/621416583.db2.gz SPJMLWAITIBVCY-GOSISDBHSA-N 2 1 283.419 3.226 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903453751 621761766 /nfs/dbraw/zinc/76/17/66/621761766.db2.gz KNRYJBXZPDPJCS-HKUYNNGSSA-N 2 1 297.446 3.139 20 30 CGEDMP CCCCCCCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843389360 635656908 /nfs/dbraw/zinc/65/69/08/635656908.db2.gz QGPPLMPIPMDINW-INIZCTEOSA-N 2 1 282.472 3.034 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000815652139 631814018 /nfs/dbraw/zinc/81/40/18/631814018.db2.gz QPWWTYPYBRJOMI-OALUTQOASA-N 2 1 284.447 3.042 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000815652139 631814022 /nfs/dbraw/zinc/81/40/22/631814022.db2.gz QPWWTYPYBRJOMI-OALUTQOASA-N 2 1 284.447 3.042 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000815651733 631814381 /nfs/dbraw/zinc/81/43/81/631814381.db2.gz BQTXITDKAKERLS-CABCVRRESA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000815651733 631814382 /nfs/dbraw/zinc/81/43/82/631814382.db2.gz BQTXITDKAKERLS-CABCVRRESA-N 2 1 292.854 3.377 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000815652776 631814434 /nfs/dbraw/zinc/81/44/34/631814434.db2.gz SIGUTFPIEXMANM-HNNXBMFYSA-N 2 1 264.438 3.134 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000815652776 631814435 /nfs/dbraw/zinc/81/44/35/631814435.db2.gz SIGUTFPIEXMANM-HNNXBMFYSA-N 2 1 264.438 3.134 20 30 CGEDMP C#CCCCCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000876763560 634895033 /nfs/dbraw/zinc/89/50/33/634895033.db2.gz KLVCAKFNBXFAOD-DLBZAZTESA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000876763560 634895039 /nfs/dbraw/zinc/89/50/39/634895039.db2.gz KLVCAKFNBXFAOD-DLBZAZTESA-N 2 1 264.457 3.232 20 30 CGEDMP C#CCCCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000876763560 634895044 /nfs/dbraw/zinc/89/50/44/634895044.db2.gz KLVCAKFNBXFAOD-DLBZAZTESA-N 2 1 264.457 3.232 20 30 CGEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC(=C)C)CC1)[C@@H]1CCCO1 ZINC000883186894 636571938 /nfs/dbraw/zinc/57/19/38/636571938.db2.gz BJYULGIQUREFPM-MSOLQXFVSA-N 2 1 292.467 3.130 20 30 CGEDMP CCCCCCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848534140 636593729 /nfs/dbraw/zinc/59/37/29/636593729.db2.gz XZFVVZBHEPPLBU-QGZVFWFLSA-N 2 1 282.472 3.190 20 30 CGEDMP C=CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139257 638640211 /nfs/dbraw/zinc/64/02/11/638640211.db2.gz QWFLELKBVYCSTP-HZPDHXFCSA-N 2 1 273.424 3.161 20 30 CGEDMP C=CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139257 638640215 /nfs/dbraw/zinc/64/02/15/638640215.db2.gz QWFLELKBVYCSTP-HZPDHXFCSA-N 2 1 273.424 3.161 20 30 CGEDMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000859290984 639125433 /nfs/dbraw/zinc/12/54/33/639125433.db2.gz CVWGMQYVSYXBKR-UHFFFAOYSA-N 2 1 297.446 3.175 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+](CC)CCC[NH+](C)C ZINC001253242511 806192077 /nfs/dbraw/zinc/19/20/77/806192077.db2.gz MISRAEARIFLYBQ-KRWDZBQOSA-N 2 1 284.488 3.148 20 30 CGEDMP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC001254508437 806427192 /nfs/dbraw/zinc/42/71/92/806427192.db2.gz QWSJYKXKKVGUQS-DLBZAZTESA-N 2 1 271.408 3.083 20 30 CGEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001254527996 806442614 /nfs/dbraw/zinc/44/26/14/806442614.db2.gz APNSCMIQVWWCKR-LJQANCHMSA-N 2 1 297.446 3.222 20 30 CGEDMP C#CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389264 806633504 /nfs/dbraw/zinc/63/35/04/806633504.db2.gz DLYPEGGOEYDOII-IBGZPJMESA-N 2 1 284.447 3.434 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000392898401 799483382 /nfs/dbraw/zinc/48/33/82/799483382.db2.gz OFOBHJPZJLQNOS-UHFFFAOYSA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000392898401 799483386 /nfs/dbraw/zinc/48/33/86/799483386.db2.gz OFOBHJPZJLQNOS-UHFFFAOYSA-N 2 1 284.447 3.258 20 30 CGEDMP C=CC[C@H]1CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@@H]2CC=C)c1 ZINC000934459274 800678894 /nfs/dbraw/zinc/67/88/94/800678894.db2.gz HPCCJCLRHLGPPJ-OALUTQOASA-N 2 1 297.446 3.382 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]1C ZINC001245981519 804093470 /nfs/dbraw/zinc/09/34/70/804093470.db2.gz HQQJBXLEPAZQRW-YESZJQIVSA-N 2 1 284.488 3.076 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246018428 804100132 /nfs/dbraw/zinc/10/01/32/804100132.db2.gz DIZHZOWBVDGWGT-SQNIBIBYSA-N 2 1 298.515 3.405 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001246036943 804102033 /nfs/dbraw/zinc/10/20/33/804102033.db2.gz CZJSRYAEFVXBPE-KRWDZBQOSA-N 2 1 284.488 3.029 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246133977 804158837 /nfs/dbraw/zinc/15/88/37/804158837.db2.gz KZHIYQWWDQXPRT-JYJNAYRXSA-N 2 1 252.446 3.467 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246452758 804335290 /nfs/dbraw/zinc/33/52/90/804335290.db2.gz MDRVBNSVDCZIJA-KRWDZBQOSA-N 3 1 285.520 3.434 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@](F)(C[NH3+])CC3)C[C@H](C1)C2 ZINC001246547370 804395567 /nfs/dbraw/zinc/39/55/67/804395567.db2.gz HYHVRIAQHJBSSC-FCLJQHQZSA-N 2 1 280.431 3.274 20 30 CGEDMP CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634114 804464127 /nfs/dbraw/zinc/46/41/27/804464127.db2.gz ACCCXDQGCYAYGW-ARFHVFGLSA-N 2 1 252.446 3.419 20 30 CGEDMP CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001246649846 804477167 /nfs/dbraw/zinc/47/71/67/804477167.db2.gz QEDAYQBATMUZAV-IRXDYDNUSA-N 2 1 282.472 3.190 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246688020 804497696 /nfs/dbraw/zinc/49/76/96/804497696.db2.gz YSOZCMFAQYTHOG-UHOSZYNNSA-N 2 1 284.447 3.420 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246816084 804532414 /nfs/dbraw/zinc/53/24/14/804532414.db2.gz GYAAGSORJOYSAE-DOADOZAASA-N 2 1 294.442 3.282 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246816084 804532419 /nfs/dbraw/zinc/53/24/19/804532419.db2.gz GYAAGSORJOYSAE-DOADOZAASA-N 2 1 294.442 3.282 20 30 CGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246816664 804532471 /nfs/dbraw/zinc/53/24/71/804532471.db2.gz KZJFGFXNFFVCRC-SJLPKXTDSA-N 2 1 282.431 3.140 20 30 CGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246816664 804532476 /nfs/dbraw/zinc/53/24/76/804532476.db2.gz KZJFGFXNFFVCRC-SJLPKXTDSA-N 2 1 282.431 3.140 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246838132 804546535 /nfs/dbraw/zinc/54/65/35/804546535.db2.gz BEDKJWIZWUVFEK-BCDXTJNWSA-N 2 1 270.420 3.348 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CCC([NH2+]C)CC1 ZINC001246950932 804616948 /nfs/dbraw/zinc/61/69/48/804616948.db2.gz XLAKSBQNHWKEBG-UHFFFAOYSA-N 2 1 250.430 3.338 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001247014422 804643354 /nfs/dbraw/zinc/64/33/54/804643354.db2.gz KBUCOIGOYFNSRP-JILJLDPQSA-N 2 1 274.452 3.195 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001247014422 804643360 /nfs/dbraw/zinc/64/33/60/804643360.db2.gz KBUCOIGOYFNSRP-JILJLDPQSA-N 2 1 274.452 3.195 20 30 CGEDMP N#CCC[N@@H+](C1CCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861298 806993577 /nfs/dbraw/zinc/99/35/77/806993577.db2.gz WBHNJHLTJYMJPX-UHFFFAOYSA-N 2 1 298.434 3.209 20 30 CGEDMP C#CC(C)(C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168007420 807298978 /nfs/dbraw/zinc/29/89/78/807298978.db2.gz APQARNDJYRWSKO-HZPDHXFCSA-N 2 1 284.447 3.429 20 30 CGEDMP C#CC1([NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029574 807299865 /nfs/dbraw/zinc/29/98/65/807299865.db2.gz TUWMCYNSYJYXGN-HOTGVXAUSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147150 807320348 /nfs/dbraw/zinc/32/03/48/807320348.db2.gz HIVXYPKHFGZQCT-GOSISDBHSA-N 2 1 296.458 3.039 20 30 CGEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147150 807320357 /nfs/dbraw/zinc/32/03/57/807320357.db2.gz HIVXYPKHFGZQCT-GOSISDBHSA-N 2 1 296.458 3.039 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001171202242 808009210 /nfs/dbraw/zinc/00/92/10/808009210.db2.gz YJCFYZHOEDVWMY-DLBZAZTESA-N 2 1 299.462 3.330 20 30 CGEDMP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171220694 808011392 /nfs/dbraw/zinc/01/13/92/808011392.db2.gz DQMZZSOJABNZMY-INIZCTEOSA-N 2 1 299.462 3.295 20 30 CGEDMP C#C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077287 808170300 /nfs/dbraw/zinc/17/03/00/808170300.db2.gz QSXNXBWNSYATCN-KANFNMMFSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077287 808170302 /nfs/dbraw/zinc/17/03/02/808170302.db2.gz QSXNXBWNSYATCN-KANFNMMFSA-N 2 1 282.431 3.183 20 30 CGEDMP N#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074057 808170526 /nfs/dbraw/zinc/17/05/26/808170526.db2.gz TVWBDBSUMJHMAP-REPLKXPHSA-N 2 1 297.446 3.465 20 30 CGEDMP Cc1ccc(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC001172111810 808178319 /nfs/dbraw/zinc/17/83/19/808178319.db2.gz WHJJAJDCOLIZMT-OSYLJGHBSA-N 2 1 285.435 3.024 20 30 CGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001172304154 808222010 /nfs/dbraw/zinc/22/20/10/808222010.db2.gz ICESSZIXNMFRLH-VQIMIIECSA-N 2 1 299.462 3.330 20 30 CGEDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312758 808224645 /nfs/dbraw/zinc/22/46/45/808224645.db2.gz JAKZITFOAZRRBX-INIZCTEOSA-N 2 1 287.451 3.153 20 30 CGEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172506801 808362798 /nfs/dbraw/zinc/36/27/98/808362798.db2.gz JSINNCNVVGTGTQ-IAGOWNOFSA-N 2 1 277.456 3.409 20 30 CGEDMP CC(C)[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173591706 808648304 /nfs/dbraw/zinc/64/83/04/808648304.db2.gz WOXDPUGTJMQEBV-OJHJNGDYSA-N 2 1 277.456 3.439 20 30 CGEDMP CCCCCCCCCC[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001201874796 811973891 /nfs/dbraw/zinc/97/38/91/811973891.db2.gz GNQSBLLJIDOROL-UHFFFAOYSA-N 2 1 297.531 3.306 20 30 CGEDMP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205652953 813042455 /nfs/dbraw/zinc/04/24/55/813042455.db2.gz RMHNTGSUWKQNKK-SWLSCSKDSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901267 813122661 /nfs/dbraw/zinc/12/26/61/813122661.db2.gz CCMKBPOWNCEUDQ-HZPDHXFCSA-N 2 1 288.435 3.201 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@@H]1C[NH3+] ZINC001206002853 813160592 /nfs/dbraw/zinc/16/05/92/813160592.db2.gz CAIXKIDCJLUJRN-CHWSQXEVSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206011170 813164069 /nfs/dbraw/zinc/16/40/69/813164069.db2.gz AJWUVKFKXVKOPY-TZMCWYRMSA-N 2 1 291.826 3.018 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012047 813165303 /nfs/dbraw/zinc/16/53/03/813165303.db2.gz IDVYPEABWVYPNV-QWHCGFSZSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001206760425 813425916 /nfs/dbraw/zinc/42/59/16/813425916.db2.gz FXSIOMXWOPDQOL-USXIJHARSA-N 2 1 262.441 3.348 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC001208926684 813901717 /nfs/dbraw/zinc/90/17/17/813901717.db2.gz YILKOYFZPXKJFM-UHFFFAOYSA-N 2 1 299.462 3.153 20 30 CGEDMP C#C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940501 813908494 /nfs/dbraw/zinc/90/84/94/813908494.db2.gz SLQCAXKKVIJEIC-AZUAARDMSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940501 813908499 /nfs/dbraw/zinc/90/84/99/813908499.db2.gz SLQCAXKKVIJEIC-AZUAARDMSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940501 813908505 /nfs/dbraw/zinc/90/85/05/813908505.db2.gz SLQCAXKKVIJEIC-AZUAARDMSA-N 2 1 296.458 3.244 20 30 CGEDMP CCCCCCCC[N@@H+](CCOC)C1CC[NH2+]CC1 ZINC001235946683 819235641 /nfs/dbraw/zinc/23/56/41/819235641.db2.gz PDYBNNIYHBSYGC-UHFFFAOYSA-N 2 1 270.461 3.047 20 30 CGEDMP C#Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236376513 819443214 /nfs/dbraw/zinc/44/32/14/819443214.db2.gz SEQOCQUKISRETH-IBGZPJMESA-N 2 1 296.458 3.412 20 30 CGEDMP C#CCCCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC001307848212 933008752 /nfs/dbraw/zinc/00/87/52/933008752.db2.gz BOIRMLUKFUQRRN-UHFFFAOYSA-N 2 1 250.430 3.034 20 30 CGEDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096294 933998507 /nfs/dbraw/zinc/99/85/07/933998507.db2.gz RHQNUFMYVVZKSB-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096294 933998520 /nfs/dbraw/zinc/99/85/20/933998520.db2.gz RHQNUFMYVVZKSB-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP C=CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001574907648 962332258 /nfs/dbraw/zinc/33/22/58/962332258.db2.gz VNMNJWYMWCETEC-BBWFWOEESA-N 2 1 280.456 3.094 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000651725467 398276281 /nfs/dbraw/zinc/27/62/81/398276281.db2.gz DYOUCOABLBMDDC-OZSLIKBDSA-N 2 1 262.441 3.336 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000651725467 398276285 /nfs/dbraw/zinc/27/62/85/398276285.db2.gz DYOUCOABLBMDDC-OZSLIKBDSA-N 2 1 262.441 3.336 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1F ZINC000591582958 346930259 /nfs/dbraw/zinc/93/02/59/346930259.db2.gz VLMOVOICEBWGPC-TZMCWYRMSA-N 2 1 287.382 3.023 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000174363066 346241584 /nfs/dbraw/zinc/24/15/84/346241584.db2.gz ZAGQNMKZMYYGTE-ZBFHGGJFSA-N 2 1 250.430 3.195 20 30 CGEDMP CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365433296 346548505 /nfs/dbraw/zinc/54/85/05/346548505.db2.gz QPRIWWQHBDUYKN-INIZCTEOSA-N 2 1 277.456 3.124 20 30 CGEDMP CC[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057322 347272903 /nfs/dbraw/zinc/27/29/03/347272903.db2.gz XBAVYUVINYHXAM-IRXDYDNUSA-N 2 1 285.435 3.472 20 30 CGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000599661331 347762420 /nfs/dbraw/zinc/76/24/20/347762420.db2.gz UNQONDFVYBMOEN-MSOLQXFVSA-N 2 1 285.435 3.262 20 30 CGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000602513800 347973337 /nfs/dbraw/zinc/97/33/37/347973337.db2.gz IWNGVOSGJHLXIH-ZBFHGGJFSA-N 2 1 265.445 3.026 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628212124 350442430 /nfs/dbraw/zinc/44/24/30/350442430.db2.gz LBNVBVWVLABPJN-INIZCTEOSA-N 2 1 272.436 3.339 20 30 CGEDMP C=CCCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631216785 350993405 /nfs/dbraw/zinc/99/34/05/350993405.db2.gz APIRKEHYGCKPCT-GJZGRUSLSA-N 2 1 250.430 3.195 20 30 CGEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000336482158 283066191 /nfs/dbraw/zinc/06/61/91/283066191.db2.gz HUHSRDLRZGIYLX-GOEBONIOSA-N 2 1 298.434 3.091 20 30 CGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(C#N)s1 ZINC000176948349 189016365 /nfs/dbraw/zinc/01/63/65/189016365.db2.gz WWETZAWGGSTEQO-AWEZNQCLSA-N 2 1 291.464 3.364 20 30 CGEDMP C=CCOc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435381652 372756453 /nfs/dbraw/zinc/75/64/53/372756453.db2.gz VDVBHWSJQJIQKA-KRWDZBQOSA-N 2 1 288.435 3.215 20 30 CGEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442722661 373069457 /nfs/dbraw/zinc/06/94/57/373069457.db2.gz XXYBOFCHALXAKO-FZKCQIBNSA-N 2 1 277.456 3.025 20 30 CGEDMP C=CC(C)(C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449486421 373775392 /nfs/dbraw/zinc/77/53/92/373775392.db2.gz SEMTYJWXUVQGKV-UHFFFAOYSA-N 2 1 293.480 3.211 20 30 CGEDMP CC(C)[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000180686113 374036646 /nfs/dbraw/zinc/03/66/46/374036646.db2.gz GFENSNSWMCVSFN-GOSISDBHSA-N 2 1 285.435 3.494 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000502985845 375648066 /nfs/dbraw/zinc/64/80/66/375648066.db2.gz GDXGKBQBCDWXGH-PKOBYXMFSA-N 2 1 284.447 3.420 20 30 CGEDMP C=CCCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000562529254 377325877 /nfs/dbraw/zinc/32/58/77/377325877.db2.gz LREXOQKIMONXEN-UHFFFAOYSA-N 2 1 252.446 3.395 20 30 CGEDMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248735753 377391287 /nfs/dbraw/zinc/39/12/87/377391287.db2.gz DOQQYOFBNLFFLB-OAGGEKHMSA-N 2 1 277.456 3.169 20 30 CGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248735753 377391295 /nfs/dbraw/zinc/39/12/95/377391295.db2.gz DOQQYOFBNLFFLB-OAGGEKHMSA-N 2 1 277.456 3.169 20 30 CGEDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934285 378522387 /nfs/dbraw/zinc/52/23/87/378522387.db2.gz MOJVZYLQBHYFJX-ZDUSSCGKSA-N 2 1 277.387 3.078 20 30 CGEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934285 378522391 /nfs/dbraw/zinc/52/23/91/378522391.db2.gz MOJVZYLQBHYFJX-ZDUSSCGKSA-N 2 1 277.387 3.078 20 30 CGEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398044433 379927766 /nfs/dbraw/zinc/92/77/66/379927766.db2.gz UYUYGZSZAXEMCI-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221982 380366926 /nfs/dbraw/zinc/36/69/26/380366926.db2.gz IFAQURXDFWXAAM-CXAGYDPISA-N 2 1 289.398 3.002 20 30 CGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000120762927 392403101 /nfs/dbraw/zinc/40/31/01/392403101.db2.gz JDYYSEGSFOGIFM-MRXNPFEDSA-N 2 1 279.472 3.274 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183499918 392756860 /nfs/dbraw/zinc/75/68/60/392756860.db2.gz OWAQBTWLFWAXJE-CQSZACIVSA-N 2 1 274.408 3.083 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000353935686 393235146 /nfs/dbraw/zinc/23/51/46/393235146.db2.gz XOQDWQNTYDVFEZ-YJBOKZPZSA-N 2 1 288.435 3.071 20 30 CGEDMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000443999882 393781942 /nfs/dbraw/zinc/78/19/42/393781942.db2.gz FFECVWLXPXSVMO-MRXNPFEDSA-N 2 1 285.435 3.221 20 30 CGEDMP C=CC[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000668493357 543020513 /nfs/dbraw/zinc/02/05/13/543020513.db2.gz NGIYPVUMXJICSL-INIZCTEOSA-N 2 1 296.418 3.364 20 30 CGEDMP C=CCCC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661052 419177196 /nfs/dbraw/zinc/17/71/96/419177196.db2.gz BLWUSBHNJAXHTC-CVEARBPZSA-N 2 1 250.430 3.149 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCC#N ZINC000184752803 262028918 /nfs/dbraw/zinc/02/89/18/262028918.db2.gz AVUSHIGLIDERGV-JJTKIYQPSA-N 2 1 299.462 3.426 20 30 CGEDMP C=CC[NH+](CCc1ccccc1)CC[C@@H]1CCC[N@H+]1C ZINC000340372144 263120447 /nfs/dbraw/zinc/12/04/47/263120447.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[NH+](CCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000340372144 263120448 /nfs/dbraw/zinc/12/04/48/263120448.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[N@@H+](CCc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000340372144 263120449 /nfs/dbraw/zinc/12/04/49/263120449.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CC[N@H+](CCc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000340372144 263120450 /nfs/dbraw/zinc/12/04/50/263120450.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 2 1 272.436 3.201 20 30 CGEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000414949165 263156369 /nfs/dbraw/zinc/15/63/69/263156369.db2.gz NDGIOILBTLVCEH-GXTWGEPZSA-N 2 1 294.826 3.135 20 30 CGEDMP N#CCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370651184 267335565 /nfs/dbraw/zinc/33/55/65/267335565.db2.gz OZVVCNXBHLZIMN-UHFFFAOYSA-N 2 1 297.446 3.278 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707611 276231615 /nfs/dbraw/zinc/23/16/15/276231615.db2.gz NGQFEDXVEKQCEO-JVPBZIDWSA-N 2 1 297.446 3.256 20 30 CGEDMP C[C@H]([NH+](C)CC#CC[N@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000351423366 278223524 /nfs/dbraw/zinc/22/35/24/278223524.db2.gz VNSSPCQIQPGSGQ-HOTGVXAUSA-N 2 1 276.468 3.231 20 30 CGEDMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C#N)cc1 ZINC000157327869 279553999 /nfs/dbraw/zinc/55/39/99/279553999.db2.gz LLMYSFZEXDTGSE-IGNZVWTISA-N 2 1 277.371 3.354 20 30 CGEDMP C=CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703090 328130105 /nfs/dbraw/zinc/13/01/05/328130105.db2.gz FVFAWITVZXRGLS-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703090 328130106 /nfs/dbraw/zinc/13/01/06/328130106.db2.gz FVFAWITVZXRGLS-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336703090 328130108 /nfs/dbraw/zinc/13/01/08/328130108.db2.gz FVFAWITVZXRGLS-ROUUACIJSA-N 2 1 270.420 3.016 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558419134 327092656 /nfs/dbraw/zinc/09/26/56/327092656.db2.gz ORDOWSHPBFZFFX-HOTGVXAUSA-N 2 1 252.446 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187178353 329354494 /nfs/dbraw/zinc/35/44/94/329354494.db2.gz FNNIGYRLBZMLDR-CQSZACIVSA-N 2 1 282.497 3.148 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000272065161 330084666 /nfs/dbraw/zinc/08/46/66/330084666.db2.gz KLOUHQFXZXGHTH-CQSZACIVSA-N 2 1 276.399 3.169 20 30 CGEDMP C=C(C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccc1 ZINC000423024012 330165826 /nfs/dbraw/zinc/16/58/26/330165826.db2.gz IKEOWDVYIDAMJB-QFBILLFUSA-N 2 1 280.415 3.248 20 30 CGEDMP C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423136662 330172158 /nfs/dbraw/zinc/17/21/58/330172158.db2.gz VNNVFXAIXVJDMA-USXIJHARSA-N 2 1 271.408 3.152 20 30 CGEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000424196079 330324992 /nfs/dbraw/zinc/32/49/92/330324992.db2.gz FNLADNZTVXTSAH-GDAAHCPNSA-N 2 1 297.446 3.321 20 30 CGEDMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000424196079 330324993 /nfs/dbraw/zinc/32/49/93/330324993.db2.gz FNLADNZTVXTSAH-GDAAHCPNSA-N 2 1 297.446 3.321 20 30 CGEDMP C=CCC1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCCC1 ZINC000449603076 330938877 /nfs/dbraw/zinc/93/88/77/330938877.db2.gz FOGQRYGJFFPBIV-UHFFFAOYSA-N 2 1 273.424 3.374 20 30 CGEDMP C=CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453353096 331121103 /nfs/dbraw/zinc/12/11/03/331121103.db2.gz HJAMOIRETBVLFM-HRCADAONSA-N 2 1 264.457 3.441 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000488423683 332006615 /nfs/dbraw/zinc/00/66/15/332006615.db2.gz BGCCPXMLUFYJIX-UHFFFAOYSA-N 2 1 250.430 3.051 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536274 332231742 /nfs/dbraw/zinc/23/17/42/332231742.db2.gz IXVIOBYWXAMIKH-OALUTQOASA-N 2 1 296.458 3.431 20 30 CGEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000491536274 332231743 /nfs/dbraw/zinc/23/17/43/332231743.db2.gz IXVIOBYWXAMIKH-OALUTQOASA-N 2 1 296.458 3.431 20 30 CGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000135132651 334117030 /nfs/dbraw/zinc/11/70/30/334117030.db2.gz QAMBULGJUXGLBD-OAHLLOKOSA-N 2 1 265.445 3.170 20 30 CGEDMP CCC(CC)[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000135144936 334117618 /nfs/dbraw/zinc/11/76/18/334117618.db2.gz LBIXQBHQGAIPGF-OAHLLOKOSA-N 2 1 267.461 3.272 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248792810 334317532 /nfs/dbraw/zinc/31/75/32/334317532.db2.gz IXFMSWFYEKYDBK-DJIMGWMZSA-N 2 1 277.456 3.169 20 30 CGEDMP CCC[NH+](CCC)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000177695694 335379475 /nfs/dbraw/zinc/37/94/75/335379475.db2.gz VGDMEXPGIJGNQO-UHFFFAOYSA-N 2 1 279.453 3.221 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC000106245168 526604552 /nfs/dbraw/zinc/60/45/52/526604552.db2.gz SIGPWVAJEJHMEJ-UHFFFAOYSA-N 2 1 276.399 3.264 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000106245679 526604660 /nfs/dbraw/zinc/60/46/60/526604660.db2.gz LFQMPNNIAOCTHT-UHFFFAOYSA-N 2 1 295.430 3.365 20 30 CGEDMP CC[N@H+]1CC[C@H]([NH+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769310 527830532 /nfs/dbraw/zinc/83/05/32/527830532.db2.gz RFWGMMXXDBMWKP-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769310 527830537 /nfs/dbraw/zinc/83/05/37/527830537.db2.gz RFWGMMXXDBMWKP-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769310 527830539 /nfs/dbraw/zinc/83/05/39/527830539.db2.gz RFWGMMXXDBMWKP-GJZGRUSLSA-N 2 1 265.445 3.121 20 30 CGEDMP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000925841425 619290574 /nfs/dbraw/zinc/29/05/74/619290574.db2.gz QYSJWBPQVRWREM-ZWKOTPCHSA-N 2 1 277.371 3.101 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897978457 620461593 /nfs/dbraw/zinc/46/15/93/620461593.db2.gz PYAZMTWEMBOPPT-UHFFFAOYSA-N 2 1 297.446 3.282 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@]1(C)CCCCO1 ZINC000902819779 621455723 /nfs/dbraw/zinc/45/57/23/621455723.db2.gz WYFRVHQCOQWDAO-ZJPYXAASSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@]1(C)CCCCO1 ZINC000902819779 621455725 /nfs/dbraw/zinc/45/57/25/621455725.db2.gz WYFRVHQCOQWDAO-ZJPYXAASSA-N 2 1 294.483 3.353 20 30 CGEDMP C=CCCC[N@H+](CC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903850290 621820918 /nfs/dbraw/zinc/82/09/18/621820918.db2.gz NTCDHCANQYQXBA-MQVJKMGUSA-N 2 1 250.430 3.195 20 30 CGEDMP C#CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878285575 635445448 /nfs/dbraw/zinc/44/54/48/635445448.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878285575 635445456 /nfs/dbraw/zinc/44/54/56/635445456.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 2 1 274.452 3.129 20 30 CGEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878285575 635445460 /nfs/dbraw/zinc/44/54/60/635445460.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 2 1 274.452 3.129 20 30 CGEDMP C#Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738586 630794733 /nfs/dbraw/zinc/79/47/33/630794733.db2.gz AEOLBIWUKMGHRH-UHFFFAOYSA-N 2 1 292.426 3.362 20 30 CGEDMP CCCCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144384 631729715 /nfs/dbraw/zinc/72/97/15/631729715.db2.gz YTEJQWZBDRSUMA-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815144384 631729718 /nfs/dbraw/zinc/72/97/18/631729718.db2.gz YTEJQWZBDRSUMA-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP CCCCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144384 631729724 /nfs/dbraw/zinc/72/97/24/631729724.db2.gz YTEJQWZBDRSUMA-MRXNPFEDSA-N 2 1 252.446 3.375 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1SCC ZINC000815652546 631813941 /nfs/dbraw/zinc/81/39/41/631813941.db2.gz HSFXHYUKAJXQCP-HNNXBMFYSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1SCC ZINC000815652546 631813942 /nfs/dbraw/zinc/81/39/42/631813942.db2.gz HSFXHYUKAJXQCP-HNNXBMFYSA-N 2 1 290.476 3.404 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000815652013 631814406 /nfs/dbraw/zinc/81/44/06/631814406.db2.gz LNZFUAFCVPKFFQ-WBVHZDCISA-N 2 1 270.420 3.088 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000815652013 631814407 /nfs/dbraw/zinc/81/44/07/631814407.db2.gz LNZFUAFCVPKFFQ-WBVHZDCISA-N 2 1 270.420 3.088 20 30 CGEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000877643316 635128880 /nfs/dbraw/zinc/12/88/80/635128880.db2.gz GZTAQSIUSNCGDR-SFHVURJKSA-N 2 1 276.468 3.282 20 30 CGEDMP C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411818 635495098 /nfs/dbraw/zinc/49/50/98/635495098.db2.gz OOOBWJHMOWGAMA-KKUMJFAQSA-N 2 1 250.430 3.194 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885973725 637338811 /nfs/dbraw/zinc/33/88/11/637338811.db2.gz ZGSZLMXWIMRTFK-XQRVVYSFSA-N 2 1 288.410 3.469 20 30 CGEDMP C=CCC[C@H](CCC)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750557 638596129 /nfs/dbraw/zinc/59/61/29/638596129.db2.gz JFWZPHCQWQWGRV-LBPRGKRZSA-N 2 1 279.453 3.095 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782309 638951028 /nfs/dbraw/zinc/95/10/28/638951028.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782309 638951029 /nfs/dbraw/zinc/95/10/29/638951029.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782309 638951031 /nfs/dbraw/zinc/95/10/31/638951031.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 2 1 285.435 3.090 20 30 CGEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000929782309 638951032 /nfs/dbraw/zinc/95/10/32/638951032.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 2 1 285.435 3.090 20 30 CGEDMP CCCCCCCCN(CC[NH3+])[C@@H]1CCC[N@@H+](C)CC1 ZINC001254509320 806431277 /nfs/dbraw/zinc/43/12/77/806431277.db2.gz YTMUVXCROJMHLE-QGZVFWFLSA-N 2 1 283.504 3.092 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000328053881 799250085 /nfs/dbraw/zinc/25/00/85/799250085.db2.gz ZVIPJMUATYPDEB-SFHVURJKSA-N 2 1 295.430 3.090 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000328053881 799250090 /nfs/dbraw/zinc/25/00/90/799250090.db2.gz ZVIPJMUATYPDEB-SFHVURJKSA-N 2 1 295.430 3.090 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000381439324 799379650 /nfs/dbraw/zinc/37/96/50/799379650.db2.gz WFGFNBPDBLDXAM-MAUKXSAKSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000381439324 799379659 /nfs/dbraw/zinc/37/96/59/799379659.db2.gz WFGFNBPDBLDXAM-MAUKXSAKSA-N 2 1 270.420 3.170 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001246013344 804097702 /nfs/dbraw/zinc/09/77/02/804097702.db2.gz FQOLQYMFTJKTLH-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001246013344 804097709 /nfs/dbraw/zinc/09/77/09/804097709.db2.gz FQOLQYMFTJKTLH-SJORKVTESA-N 2 1 284.488 3.301 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246026103 804099824 /nfs/dbraw/zinc/09/98/24/804099824.db2.gz ZHYSXSXTEFCQCG-ZWKOTPCHSA-N 2 1 296.499 3.325 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026993 804100023 /nfs/dbraw/zinc/10/00/23/804100023.db2.gz GUEBLARFHIOTAM-QZTJIDSGSA-N 2 1 294.483 3.092 20 30 CGEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246026993 804100027 /nfs/dbraw/zinc/10/00/27/804100027.db2.gz GUEBLARFHIOTAM-QZTJIDSGSA-N 2 1 294.483 3.092 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027000 804100044 /nfs/dbraw/zinc/10/00/44/804100044.db2.gz GUEBLARFHIOTAM-ZWKOTPCHSA-N 2 1 294.483 3.092 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246027000 804100054 /nfs/dbraw/zinc/10/00/54/804100054.db2.gz GUEBLARFHIOTAM-ZWKOTPCHSA-N 2 1 294.483 3.092 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246060131 804104189 /nfs/dbraw/zinc/10/41/89/804104189.db2.gz FTOLMSAXAZSTQU-BDXSIMOUSA-N 2 1 296.499 3.028 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246049591 804105445 /nfs/dbraw/zinc/10/54/45/804105445.db2.gz RTGVLSZLKKMFJI-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001246049591 804105450 /nfs/dbraw/zinc/10/54/50/804105450.db2.gz RTGVLSZLKKMFJI-IKGGRYGDSA-N 2 1 284.488 3.157 20 30 CGEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246063546 804106405 /nfs/dbraw/zinc/10/64/05/804106405.db2.gz KNRMEIUYYSVFCT-BRWVUGGUSA-N 2 1 284.488 3.300 20 30 CGEDMP C=C1C[C@@H]2CC([NH2+]C[C@]3(F)CCCC[NH2+]C3)C[C@H](C1)C2 ZINC001246112020 804142838 /nfs/dbraw/zinc/14/28/38/804142838.db2.gz JYTCFNRDSUJKGL-WFVVYAPDSA-N 2 1 280.431 3.193 20 30 CGEDMP CCCCCCCC[C@@H](CCC)[NH2+][C@@]1(CO)CC[NH2+]C1 ZINC001246289045 804260680 /nfs/dbraw/zinc/26/06/80/804260680.db2.gz OCBMZJMIWBSQMK-SJORKVTESA-N 2 1 284.488 3.220 20 30 CGEDMP CCCCCCC[C@@H](CCC)N[C@@H]([NH3+])CCC[NH3+] ZINC001246300152 804266168 /nfs/dbraw/zinc/26/61/68/804266168.db2.gz LVPCQUQMORYFDJ-HUUCEWRRSA-N 3 1 257.466 3.129 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCCCC ZINC001246309554 804272200 /nfs/dbraw/zinc/27/22/00/804272200.db2.gz CZKIMBFCWISFIT-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](CCC)CCCC ZINC001246314668 804274984 /nfs/dbraw/zinc/27/49/84/804274984.db2.gz YUIMICREZCRIMY-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCCC[C@@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246585502 804429161 /nfs/dbraw/zinc/42/91/61/804429161.db2.gz XNMUXGLVDBYKSJ-PMRDEQMMSA-N 2 1 262.441 3.182 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@]4(CCC[NH2+]4)C3)C[C@H](C1)C2 ZINC001246623392 804455431 /nfs/dbraw/zinc/45/54/31/804455431.db2.gz SRUAHKMLMCUZAW-UJJTZGENSA-N 2 1 274.452 3.339 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634115 804464683 /nfs/dbraw/zinc/46/46/83/804464683.db2.gz ACCCXDQGCYAYGW-HRCADAONSA-N 2 1 252.446 3.419 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)CC2)cc1 ZINC001246862751 804567174 /nfs/dbraw/zinc/56/71/74/804567174.db2.gz RCKNZRUIQFBQKF-JEVOJNTISA-N 2 1 295.430 3.008 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246949885 804615697 /nfs/dbraw/zinc/61/56/97/804615697.db2.gz RHSVIZILWSCSLD-SCAQPMJSSA-N 2 1 262.441 3.480 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246949371 804615752 /nfs/dbraw/zinc/61/57/52/804615752.db2.gz OSSMGXQZSXKAPN-ZIAGYGMSSA-N 2 1 250.430 3.336 20 30 CGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247006855 804636858 /nfs/dbraw/zinc/63/68/58/804636858.db2.gz VXVCGIYMZNBLSG-MRXNPFEDSA-N 2 1 297.446 3.206 20 30 CGEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001258050207 807275968 /nfs/dbraw/zinc/27/59/68/807275968.db2.gz ROKAXLNYZMVYRK-HRCADAONSA-N 2 1 252.446 3.229 20 30 CGEDMP N#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167994436 807293194 /nfs/dbraw/zinc/29/31/94/807293194.db2.gz DAUKKYDYVKHXAU-QTXGHNMQSA-N 2 1 287.451 3.017 20 30 CGEDMP N#C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994436 807293200 /nfs/dbraw/zinc/29/32/00/807293200.db2.gz DAUKKYDYVKHXAU-QTXGHNMQSA-N 2 1 287.451 3.017 20 30 CGEDMP N#C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994436 807293205 /nfs/dbraw/zinc/29/32/05/807293205.db2.gz DAUKKYDYVKHXAU-QTXGHNMQSA-N 2 1 287.451 3.017 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001258720043 807568502 /nfs/dbraw/zinc/56/85/02/807568502.db2.gz QBESLXJVSAGAAA-OAHLLOKOSA-N 2 1 273.424 3.303 20 30 CGEDMP C=CCC[C@H](C)[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001258727569 807575257 /nfs/dbraw/zinc/57/52/57/807575257.db2.gz GUIOMTFGJAYOPX-AWEZNQCLSA-N 2 1 273.424 3.284 20 30 CGEDMP C=CCC[C@H](C)N(c1cc(C)[nH+]c(C)n1)C1CC[NH2+]CC1 ZINC001258736680 807583788 /nfs/dbraw/zinc/58/37/88/807583788.db2.gz YLGIUAKXMUXOLK-AWEZNQCLSA-N 2 1 288.439 3.007 20 30 CGEDMP C=CC[N@H+](C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001169264991 807618175 /nfs/dbraw/zinc/61/81/75/807618175.db2.gz VEWNMSOWFGJCRB-UHFFFAOYSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CC[N@@H+](C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001169264991 807618178 /nfs/dbraw/zinc/61/81/78/807618178.db2.gz VEWNMSOWFGJCRB-UHFFFAOYSA-N 2 1 250.430 3.291 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077289 808170719 /nfs/dbraw/zinc/17/07/19/808170719.db2.gz QSXNXBWNSYATCN-OWYHZJEWSA-N 2 1 282.431 3.183 20 30 CGEDMP C#C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077289 808170724 /nfs/dbraw/zinc/17/07/24/808170724.db2.gz QSXNXBWNSYATCN-OWYHZJEWSA-N 2 1 282.431 3.183 20 30 CGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172495128 808353663 /nfs/dbraw/zinc/35/36/63/808353663.db2.gz MXWKIMVFISUBOT-AWEZNQCLSA-N 2 1 286.423 3.011 20 30 CGEDMP C=CCOc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC001199038339 811556912 /nfs/dbraw/zinc/55/69/12/811556912.db2.gz MYKYVSLSZJPBSI-UHFFFAOYSA-N 2 1 288.435 3.217 20 30 CGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203760883 812456634 /nfs/dbraw/zinc/45/66/34/812456634.db2.gz RHMLDWUCODUXBA-UHFFFAOYSA-N 2 1 285.435 3.110 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001204918269 812773918 /nfs/dbraw/zinc/77/39/18/812773918.db2.gz AOIGPXNDZYESTC-PHZGNYQRSA-N 2 1 250.430 3.040 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210866 812909521 /nfs/dbraw/zinc/90/95/21/812909521.db2.gz SDCFPARYRGNPKE-KRWDZBQOSA-N 2 1 284.488 3.303 20 30 CGEDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206022819 813168950 /nfs/dbraw/zinc/16/89/50/813168950.db2.gz CXZKKEPHIQAVKR-JSGCOSHPSA-N 2 1 291.826 3.018 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001206606291 813372861 /nfs/dbraw/zinc/37/28/61/813372861.db2.gz JJCIKMDNQDDUAR-DLBZAZTESA-N 2 1 262.441 3.350 20 30 CGEDMP C=CCCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001209442383 814043476 /nfs/dbraw/zinc/04/34/76/814043476.db2.gz QYLGVXZMRXJVJG-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209442383 814043484 /nfs/dbraw/zinc/04/34/84/814043484.db2.gz QYLGVXZMRXJVJG-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209442383 814043494 /nfs/dbraw/zinc/04/34/94/814043494.db2.gz QYLGVXZMRXJVJG-IYBDPMFKSA-N 2 1 250.430 3.006 20 30 CGEDMP C#CC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001209449049 814046838 /nfs/dbraw/zinc/04/68/38/814046838.db2.gz QWBHSZZIIJGMFL-HXUWFJFHSA-N 2 1 296.458 3.485 20 30 CGEDMP C#CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001209449049 814046846 /nfs/dbraw/zinc/04/68/46/814046846.db2.gz QWBHSZZIIJGMFL-HXUWFJFHSA-N 2 1 296.458 3.485 20 30 CGEDMP C=CCC[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209734141 814123687 /nfs/dbraw/zinc/12/36/87/814123687.db2.gz LSLXORXSZFHBLP-UHFFFAOYSA-N 2 1 267.376 3.072 20 30 CGEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209734141 814123694 /nfs/dbraw/zinc/12/36/94/814123694.db2.gz LSLXORXSZFHBLP-UHFFFAOYSA-N 2 1 267.376 3.072 20 30 CGEDMP C=CCCCC[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222595535 816474997 /nfs/dbraw/zinc/47/49/97/816474997.db2.gz CDQRFTLFHWROJG-KRWDZBQOSA-N 2 1 270.420 3.032 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016541 818978605 /nfs/dbraw/zinc/97/86/05/818978605.db2.gz GCEDYPMSMKKVBN-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016541 818978610 /nfs/dbraw/zinc/97/86/10/818978610.db2.gz GCEDYPMSMKKVBN-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP CCCCCCCCCC[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036740 818986783 /nfs/dbraw/zinc/98/67/83/818986783.db2.gz NBNWIYVMOXVOAQ-QZTJIDSGSA-N 2 1 296.499 3.437 20 30 CGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423353 819093518 /nfs/dbraw/zinc/09/35/18/819093518.db2.gz GCIVOCKCAYPEDC-IEBWSBKVSA-N 2 1 297.446 3.078 20 30 CGEDMP C#CC[N@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCc2ccccc21 ZINC001235833071 819179496 /nfs/dbraw/zinc/17/94/96/819179496.db2.gz CAEKSEAXQPTFLD-HXUWFJFHSA-N 2 1 290.410 3.268 20 30 CGEDMP C=CC[N@@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434755 819477829 /nfs/dbraw/zinc/47/78/29/819477829.db2.gz WMJSZXQFOYFJMX-ZFWWWQNUSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434755 819477834 /nfs/dbraw/zinc/47/78/34/819477834.db2.gz WMJSZXQFOYFJMX-ZFWWWQNUSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC001236434406 819478751 /nfs/dbraw/zinc/47/87/51/819478751.db2.gz SGFPHNYIAIFUOY-HNNXBMFYSA-N 2 1 250.430 3.339 20 30 CGEDMP C=CCCCCCC[N@H+](CCC)C[C@@H]1CC[NH2+]C1 ZINC001236836316 819615211 /nfs/dbraw/zinc/61/52/11/819615211.db2.gz UUOQUENXAHDLDX-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001461491742 937583081 /nfs/dbraw/zinc/58/30/81/937583081.db2.gz BAYWIWLISIBBIK-JYJNAYRXSA-N 2 1 250.430 3.195 20 30 CGEDMP C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001461491742 937583082 /nfs/dbraw/zinc/58/30/82/937583082.db2.gz BAYWIWLISIBBIK-JYJNAYRXSA-N 2 1 250.430 3.195 20 30 CGEDMP CCC#C[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975353 933029109 /nfs/dbraw/zinc/02/91/09/933029109.db2.gz JETJKPUVRIGJKU-INIZCTEOSA-N 2 1 272.436 3.372 20 30 CGEDMP CCCCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978385 933029414 /nfs/dbraw/zinc/02/94/14/933029414.db2.gz OGJGXWCOFNUNDR-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001307978385 933029421 /nfs/dbraw/zinc/02/94/21/933029421.db2.gz OGJGXWCOFNUNDR-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001307978385 933029429 /nfs/dbraw/zinc/02/94/29/933029429.db2.gz OGJGXWCOFNUNDR-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP CCCCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001307978385 933029436 /nfs/dbraw/zinc/02/94/36/933029436.db2.gz OGJGXWCOFNUNDR-IYBDPMFKSA-N 2 1 252.446 3.230 20 30 CGEDMP C#Cc1ccc(C[N@@H+](CC)CCC[NH+](CC)CC)cc1 ZINC001560811637 938277351 /nfs/dbraw/zinc/27/73/51/938277351.db2.gz RUCNUAOHELDCSZ-UHFFFAOYSA-N 2 1 272.436 3.222 20 30 CGEDMP C#Cc1ccc(C[N@H+](CC)CCC[NH+](CC)CC)cc1 ZINC001560811637 938277352 /nfs/dbraw/zinc/27/73/52/938277352.db2.gz RUCNUAOHELDCSZ-UHFFFAOYSA-N 2 1 272.436 3.222 20 30 CGEDMP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC001577672264 960479924 /nfs/dbraw/zinc/47/99/24/960479924.db2.gz WPRBTPOLINNLKN-RHSMWYFYSA-N 2 1 273.424 3.172 20 30 CGEDMP C[C@@H]1CC2(C[N@H+]1CCC1(C#N)CCCCC1)CC[NH2+]CC2 ZINC001576638340 962476506 /nfs/dbraw/zinc/47/65/06/962476506.db2.gz PPHQALPDUMLYLC-MRXNPFEDSA-N 2 1 289.467 3.315 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CC[NH3+] ZINC001576709891 962489807 /nfs/dbraw/zinc/48/98/07/962489807.db2.gz WOQJXEFEQRETBP-JKSUJKDBSA-N 2 1 277.456 3.300 20 30 CGEDMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570852 346929412 /nfs/dbraw/zinc/92/94/12/346929412.db2.gz WKFHAGMKZDGOLG-XJKSGUPXSA-N 2 1 289.398 3.098 20 30 CGEDMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000591582317 346930031 /nfs/dbraw/zinc/93/00/31/346930031.db2.gz HAYNGEVZJYLUIK-DOMZBBRYSA-N 2 1 287.382 3.023 20 30 CGEDMP C=CCOc1ccccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413485 349802047 /nfs/dbraw/zinc/80/20/47/349802047.db2.gz XSVZJXHPBQNNFL-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623413485 349802052 /nfs/dbraw/zinc/80/20/52/349802052.db2.gz XSVZJXHPBQNNFL-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623413485 349802054 /nfs/dbraw/zinc/80/20/54/349802054.db2.gz XSVZJXHPBQNNFL-INIZCTEOSA-N 2 1 288.435 3.214 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000561983383 346659682 /nfs/dbraw/zinc/65/96/82/346659682.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000561983383 346659683 /nfs/dbraw/zinc/65/96/83/346659683.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000561983383 346659684 /nfs/dbraw/zinc/65/96/84/346659684.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000561983383 346659687 /nfs/dbraw/zinc/65/96/87/346659687.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 2 1 288.435 3.023 20 30 CGEDMP C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459734667 346624928 /nfs/dbraw/zinc/62/49/28/346624928.db2.gz SLTGRGKIYQQQHC-AEFFLSMTSA-N 2 1 299.462 3.426 20 30 CGEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594947306 347237931 /nfs/dbraw/zinc/23/79/31/347237931.db2.gz YOEHJCFEYMRUFK-KRWDZBQOSA-N 2 1 297.446 3.063 20 30 CGEDMP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1F ZINC000602020094 347933862 /nfs/dbraw/zinc/93/38/62/347933862.db2.gz HYKQWYPEPRNDOW-JSGCOSHPSA-N 2 1 289.398 3.126 20 30 CGEDMP C[N@@H+](CCC[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602512665 347973720 /nfs/dbraw/zinc/97/37/20/347973720.db2.gz LRKVAVHMMYXNQF-UHFFFAOYSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000602514445 347973767 /nfs/dbraw/zinc/97/37/67/347973767.db2.gz JNCICZOIHHRFLY-HOTGVXAUSA-N 2 1 265.445 3.170 20 30 CGEDMP C[NH+](C)[C@H](C[NH2+]C1CCC(C#N)CC1)C1CCCCC1 ZINC000602515049 347974200 /nfs/dbraw/zinc/97/42/00/347974200.db2.gz SQGGNNFOIZPEGS-BDVYOWHSSA-N 2 1 277.456 3.169 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602545351 347979438 /nfs/dbraw/zinc/97/94/38/347979438.db2.gz POIXMRJLWZFQEF-JKSUJKDBSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602545351 347979444 /nfs/dbraw/zinc/97/94/44/347979444.db2.gz POIXMRJLWZFQEF-JKSUJKDBSA-N 2 1 265.445 3.170 20 30 CGEDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169118 348654215 /nfs/dbraw/zinc/65/42/15/348654215.db2.gz WAWOVTWZTFWABP-UHFFFAOYSA-N 2 1 299.462 3.404 20 30 CGEDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169118 348654216 /nfs/dbraw/zinc/65/42/16/348654216.db2.gz WAWOVTWZTFWABP-UHFFFAOYSA-N 2 1 299.462 3.404 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271542958 191203820 /nfs/dbraw/zinc/20/38/20/191203820.db2.gz UPRQZDLWWGZWQW-IEBWSBKVSA-N 2 1 284.447 3.290 20 30 CGEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271542958 191203821 /nfs/dbraw/zinc/20/38/21/191203821.db2.gz UPRQZDLWWGZWQW-IEBWSBKVSA-N 2 1 284.447 3.290 20 30 CGEDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900032 191399497 /nfs/dbraw/zinc/39/94/97/191399497.db2.gz AFMKHIPPWFFTND-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900032 191399500 /nfs/dbraw/zinc/39/95/00/191399500.db2.gz AFMKHIPPWFFTND-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000037150325 369069982 /nfs/dbraw/zinc/06/99/82/369069982.db2.gz SMHZPKFINXJNGA-OAHLLOKOSA-N 2 1 285.435 3.473 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974864 369846282 /nfs/dbraw/zinc/84/62/82/369846282.db2.gz MSSZNOIEVXFTKW-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974864 369846286 /nfs/dbraw/zinc/84/62/86/369846286.db2.gz MSSZNOIEVXFTKW-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974864 369846290 /nfs/dbraw/zinc/84/62/90/369846290.db2.gz MSSZNOIEVXFTKW-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974864 369846291 /nfs/dbraw/zinc/84/62/91/369846291.db2.gz MSSZNOIEVXFTKW-HZPDHXFCSA-N 2 1 250.430 3.149 20 30 CGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764292 373075078 /nfs/dbraw/zinc/07/50/78/373075078.db2.gz HTTBNLGAQQWHPC-FGTMMUONSA-N 2 1 289.467 3.313 20 30 CGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442773369 373075605 /nfs/dbraw/zinc/07/56/05/373075605.db2.gz CJDCJZAXHJGYCI-MAUKXSAKSA-N 2 1 285.435 3.309 20 30 CGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000334231091 374659963 /nfs/dbraw/zinc/65/99/63/374659963.db2.gz KWNNQAKAUSTCEI-LJQANCHMSA-N 2 1 295.430 3.152 20 30 CGEDMP C[C@H](c1cccc(C#N)c1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000334397093 374713272 /nfs/dbraw/zinc/71/32/72/374713272.db2.gz WMEQRTKYANIZBL-OAHLLOKOSA-N 2 1 283.419 3.179 20 30 CGEDMP C=C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499221580 375630264 /nfs/dbraw/zinc/63/02/64/375630264.db2.gz ZWWOMEZGABWLAD-LEUOFYLZSA-N 2 1 270.420 3.346 20 30 CGEDMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336559762 375832114 /nfs/dbraw/zinc/83/21/14/375832114.db2.gz VXKOZPDSDLBMAV-SFHVURJKSA-N 2 1 297.446 3.398 20 30 CGEDMP C=C(C)[C@@H](NCc1c[nH+]c(C)n1C)c1ccc(F)c(F)c1 ZINC000521463138 375875996 /nfs/dbraw/zinc/87/59/96/375875996.db2.gz ZSWSPSMSFWJLML-MRXNPFEDSA-N 2 1 291.345 3.414 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000542475448 376547964 /nfs/dbraw/zinc/54/79/64/376547964.db2.gz WOZOMWJSXYTAGA-YQQAZPJKSA-N 2 1 264.457 3.441 20 30 CGEDMP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000339158128 376715721 /nfs/dbraw/zinc/71/57/21/376715721.db2.gz ZTUNMNAXFYTKPU-PMPSAXMXSA-N 2 1 298.434 3.091 20 30 CGEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)C1CC1 ZINC000245905592 376931516 /nfs/dbraw/zinc/93/15/16/376931516.db2.gz BZHIUFZFDYGUPX-GOEBONIOSA-N 2 1 250.430 3.053 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000562697631 377349631 /nfs/dbraw/zinc/34/96/31/377349631.db2.gz ACMYDTVLRBSXGG-INIZCTEOSA-N 2 1 250.430 3.293 20 30 CGEDMP C=CCCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000570015908 377532577 /nfs/dbraw/zinc/53/25/77/377532577.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000570015908 377532587 /nfs/dbraw/zinc/53/25/87/377532587.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 2 1 250.430 3.006 20 30 CGEDMP C=CC[C@H]1[N@H+](C[C@H]2CCC[NH2+]C2)CCCC1(C)C ZINC000261875532 377863249 /nfs/dbraw/zinc/86/32/49/377863249.db2.gz VQIWYFJHGLWPRC-LSDHHAIUSA-N 2 1 250.430 3.053 20 30 CGEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343518996 378005074 /nfs/dbraw/zinc/00/50/74/378005074.db2.gz CJBNOLWFRWWRBN-UHFFFAOYSA-N 2 1 285.435 3.057 20 30 CGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000268921133 378153272 /nfs/dbraw/zinc/15/32/72/378153272.db2.gz QFCRIVHSPZOJRL-AEFFLSMTSA-N 2 1 285.435 3.180 20 30 CGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC#N ZINC000268921133 378153276 /nfs/dbraw/zinc/15/32/76/378153276.db2.gz QFCRIVHSPZOJRL-AEFFLSMTSA-N 2 1 285.435 3.180 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390949928 379907956 /nfs/dbraw/zinc/90/79/56/379907956.db2.gz VYQKRVOZTACQAM-QGZVFWFLSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390949928 379907959 /nfs/dbraw/zinc/90/79/59/379907959.db2.gz VYQKRVOZTACQAM-QGZVFWFLSA-N 2 1 272.436 3.453 20 30 CGEDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000421361340 380897632 /nfs/dbraw/zinc/89/76/32/380897632.db2.gz GRVJTSDUTMVISR-UHFFFAOYSA-N 2 1 291.414 3.296 20 30 CGEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358337018 381306354 /nfs/dbraw/zinc/30/63/54/381306354.db2.gz DWKPNLCRQDCVNC-JLSDUUJJSA-N 2 1 283.419 3.104 20 30 CGEDMP C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358309239 381303940 /nfs/dbraw/zinc/30/39/40/381303940.db2.gz WWZNMSCHBCFOKS-CHWSQXEVSA-N 2 1 255.365 3.406 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000360969342 381635403 /nfs/dbraw/zinc/63/54/03/381635403.db2.gz RHRVRGGKCVKQLM-AEFFLSMTSA-N 2 1 270.420 3.043 20 30 CGEDMP CC#CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000360969342 381635405 /nfs/dbraw/zinc/63/54/05/381635405.db2.gz RHRVRGGKCVKQLM-AEFFLSMTSA-N 2 1 270.420 3.043 20 30 CGEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192178627 130388890 /nfs/dbraw/zinc/38/88/90/130388890.db2.gz XOHCWJIHICVNNA-MJGOQNOKSA-N 2 1 296.458 3.281 20 30 CGEDMP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178627 130388894 /nfs/dbraw/zinc/38/88/94/130388894.db2.gz XOHCWJIHICVNNA-MJGOQNOKSA-N 2 1 296.458 3.281 20 30 CGEDMP C=CCC[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000349444622 393148791 /nfs/dbraw/zinc/14/87/91/393148791.db2.gz CWVNVARKRHYMBA-INIZCTEOSA-N 2 1 294.483 3.354 20 30 CGEDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360840964 393596758 /nfs/dbraw/zinc/59/67/58/393596758.db2.gz PTZZWOFTRZXLAC-GOSISDBHSA-N 2 1 294.402 3.121 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540003 393864970 /nfs/dbraw/zinc/86/49/70/393864970.db2.gz BPGAXYOSUJHJIM-XKQJLSEDSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000447540003 393864971 /nfs/dbraw/zinc/86/49/71/393864971.db2.gz BPGAXYOSUJHJIM-XKQJLSEDSA-N 2 1 271.408 3.082 20 30 CGEDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000453410838 394238643 /nfs/dbraw/zinc/23/86/43/394238643.db2.gz VJZYMIYLZDYITH-SFHVURJKSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000286306670 397671556 /nfs/dbraw/zinc/67/15/56/397671556.db2.gz XIHCZLWJRBMLPT-OAHLLOKOSA-N 2 1 260.381 3.138 20 30 CGEDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265126 287064400 /nfs/dbraw/zinc/06/44/00/287064400.db2.gz QRVLVVITVQFYIR-SJKOYZFVSA-N 2 1 289.398 3.256 20 30 CGEDMP C=CCC1([NH2+]CCCCn2cc[nH+]c2C)CCCC1 ZINC000661851760 419304901 /nfs/dbraw/zinc/30/49/01/419304901.db2.gz DOVFWKKZVXPJGA-UHFFFAOYSA-N 2 1 261.413 3.450 20 30 CGEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000657844159 419386103 /nfs/dbraw/zinc/38/61/03/419386103.db2.gz IMNNKVREAJPAOJ-JKSUJKDBSA-N 2 1 261.413 3.306 20 30 CGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000658035561 419514542 /nfs/dbraw/zinc/51/45/42/419514542.db2.gz OJDIAFFDICHMJG-BBWFWOEESA-N 2 1 264.457 3.443 20 30 CGEDMP C[C@H](CCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000298429428 263219492 /nfs/dbraw/zinc/21/94/92/263219492.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429428 263219493 /nfs/dbraw/zinc/21/94/93/263219493.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 2 1 297.446 3.277 20 30 CGEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429428 263219496 /nfs/dbraw/zinc/21/94/96/263219496.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 2 1 297.446 3.277 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187703347 276332223 /nfs/dbraw/zinc/33/22/23/276332223.db2.gz RKPWZXSXALWVEE-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187703347 276332224 /nfs/dbraw/zinc/33/22/24/276332224.db2.gz RKPWZXSXALWVEE-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000271857189 278335556 /nfs/dbraw/zinc/33/55/56/278335556.db2.gz JQVLETGCPFNXBZ-CQSZACIVSA-N 2 1 283.419 3.226 20 30 CGEDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205645 278348038 /nfs/dbraw/zinc/34/80/38/278348038.db2.gz LOZMUVUEGLFARY-PBHICJAKSA-N 2 1 271.408 3.083 20 30 CGEDMP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414683081 328213995 /nfs/dbraw/zinc/21/39/95/328213995.db2.gz SMNJKLVWMDEEPJ-UONOGXRCSA-N 2 1 264.438 3.124 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449121115 327022309 /nfs/dbraw/zinc/02/23/09/327022309.db2.gz GAEIVMAMGUJJLG-INIZCTEOSA-N 2 1 262.441 3.339 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000423341616 330192161 /nfs/dbraw/zinc/19/21/61/330192161.db2.gz MOCCRNFJAQLGQJ-GOEBONIOSA-N 2 1 262.397 3.266 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527656957 330273399 /nfs/dbraw/zinc/27/33/99/330273399.db2.gz NGSXZJCKHUIKED-UHFFFAOYSA-N 2 1 283.419 3.298 20 30 CGEDMP C=CC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000536888213 330363269 /nfs/dbraw/zinc/36/32/69/330363269.db2.gz VJYDZKNVHLGVTQ-UHFFFAOYSA-N 2 1 252.446 3.252 20 30 CGEDMP C=CCC[C@@H](CC)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594793 330386619 /nfs/dbraw/zinc/38/66/19/330386619.db2.gz QENQBGQSLPQXIC-QGZVFWFLSA-N 2 1 294.483 3.356 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000552048510 334281538 /nfs/dbraw/zinc/28/15/38/334281538.db2.gz VOMRHYJFYRNZDL-JKSUJKDBSA-N 2 1 250.430 3.051 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685745 335378931 /nfs/dbraw/zinc/37/89/31/335378931.db2.gz QJZOYLZXHMYABR-CQSZACIVSA-N 2 1 291.464 3.221 20 30 CGEDMP C=C(CC)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382022995 336080389 /nfs/dbraw/zinc/08/03/89/336080389.db2.gz YTFHWPMRFKJESA-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382022995 336080391 /nfs/dbraw/zinc/08/03/91/336080391.db2.gz YTFHWPMRFKJESA-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(CC)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000382022995 336080392 /nfs/dbraw/zinc/08/03/92/336080392.db2.gz YTFHWPMRFKJESA-RTBURBONSA-N 2 1 284.447 3.407 20 30 CGEDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602545345 500657625 /nfs/dbraw/zinc/65/76/25/500657625.db2.gz POIXMRJLWZFQEF-CVEARBPZSA-N 2 1 265.445 3.170 20 30 CGEDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602545345 500657623 /nfs/dbraw/zinc/65/76/23/500657623.db2.gz POIXMRJLWZFQEF-CVEARBPZSA-N 2 1 265.445 3.170 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000106246139 526604268 /nfs/dbraw/zinc/60/42/68/526604268.db2.gz BNGUTQNGURLURO-UHFFFAOYSA-N 2 1 258.409 3.125 20 30 CGEDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581576 528261332 /nfs/dbraw/zinc/26/13/32/528261332.db2.gz YUYKZPJPWKCZER-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581576 528261334 /nfs/dbraw/zinc/26/13/34/528261334.db2.gz YUYKZPJPWKCZER-UKRRQHHQSA-N 2 1 289.398 3.080 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891746404 618273824 /nfs/dbraw/zinc/27/38/24/618273824.db2.gz UWYWNLLSSLIRGE-UHFFFAOYSA-N 2 1 291.464 3.172 20 30 CGEDMP C=CC[C@@H]1CC[NH+]1CCCCC[N@@H+]1CC[C@H]1CC=C ZINC000934462099 618625549 /nfs/dbraw/zinc/62/55/49/618625549.db2.gz VCIOJNZEWBXEPP-IAGOWNOFSA-N 2 1 262.441 3.458 20 30 CGEDMP CCCCCCCC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897970556 620450955 /nfs/dbraw/zinc/45/09/55/620450955.db2.gz SNDSLGMRCSDMSY-RCCFBDPRSA-N 2 1 296.499 3.314 20 30 CGEDMP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303649 621902264 /nfs/dbraw/zinc/90/22/64/621902264.db2.gz BRVRGPYPUXEVHA-PHIMTYICSA-N 2 1 270.829 3.127 20 30 CGEDMP C=CC[C@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccncc1 ZINC000766021655 627287470 /nfs/dbraw/zinc/28/74/70/627287470.db2.gz QZQBTJOCKMVGBQ-KRWDZBQOSA-N 2 1 273.424 3.163 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000815652895 631813422 /nfs/dbraw/zinc/81/34/22/631813422.db2.gz ZKBPMXJEVRDHSH-HNNXBMFYSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000815652895 631813425 /nfs/dbraw/zinc/81/34/25/631813425.db2.gz ZKBPMXJEVRDHSH-HNNXBMFYSA-N 2 1 270.420 3.170 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000815651830 631813670 /nfs/dbraw/zinc/81/36/70/631813670.db2.gz FMOAMBXFLOLBEG-LBPRGKRZSA-N 2 1 284.856 3.397 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000815651830 631813680 /nfs/dbraw/zinc/81/36/80/631813680.db2.gz FMOAMBXFLOLBEG-LBPRGKRZSA-N 2 1 284.856 3.397 20 30 CGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000817957534 632252121 /nfs/dbraw/zinc/25/21/21/632252121.db2.gz CQGJNTNUVZWBNF-XJKSGUPXSA-N 2 1 296.842 3.452 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000834815860 634247136 /nfs/dbraw/zinc/24/71/36/634247136.db2.gz YVLYUJXONKOAIV-DZGCQCFKSA-N 2 1 276.449 3.231 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000834815860 634247138 /nfs/dbraw/zinc/24/71/38/634247138.db2.gz YVLYUJXONKOAIV-DZGCQCFKSA-N 2 1 276.449 3.231 20 30 CGEDMP C[N@H+]1CC[C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576143 635813931 /nfs/dbraw/zinc/81/39/31/635813931.db2.gz QKNFUMCNTVZMDS-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576143 635813933 /nfs/dbraw/zinc/81/39/33/635813933.db2.gz QKNFUMCNTVZMDS-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576143 635813937 /nfs/dbraw/zinc/81/39/37/635813937.db2.gz QKNFUMCNTVZMDS-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576143 635813940 /nfs/dbraw/zinc/81/39/40/635813940.db2.gz QKNFUMCNTVZMDS-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21 ZINC000879576143 635813945 /nfs/dbraw/zinc/81/39/45/635813945.db2.gz QKNFUMCNTVZMDS-AEFFLSMTSA-N 2 1 297.446 3.014 20 30 CGEDMP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000883192925 636576341 /nfs/dbraw/zinc/57/63/41/636576341.db2.gz KSTOUNACCGNENK-DLBZAZTESA-N 2 1 291.439 3.075 20 30 CGEDMP CCCCCCCCNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 ZINC000849040632 636728596 /nfs/dbraw/zinc/72/85/96/636728596.db2.gz BOSKCEYXXKUZEO-MRXNPFEDSA-N 2 1 296.503 3.193 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924990046 638435556 /nfs/dbraw/zinc/43/55/56/638435556.db2.gz XKCANAYJLZQLPQ-INIZCTEOSA-N 2 1 264.457 3.441 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929748553 638946597 /nfs/dbraw/zinc/94/65/97/638946597.db2.gz LXNYHXDJJHUQOC-QGZVFWFLSA-N 2 1 299.462 3.339 20 30 CGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929748553 638946599 /nfs/dbraw/zinc/94/65/99/638946599.db2.gz LXNYHXDJJHUQOC-QGZVFWFLSA-N 2 1 299.462 3.339 20 30 CGEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000931069553 639107218 /nfs/dbraw/zinc/10/72/18/639107218.db2.gz YQPFKTVHNKSEIZ-UHFFFAOYSA-N 2 1 265.445 3.026 20 30 CGEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000931069553 639107221 /nfs/dbraw/zinc/10/72/21/639107221.db2.gz YQPFKTVHNKSEIZ-UHFFFAOYSA-N 2 1 265.445 3.026 20 30 CGEDMP CC[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001255150569 806553456 /nfs/dbraw/zinc/55/34/56/806553456.db2.gz WHYAQLLYPDISED-QGZVFWFLSA-N 2 1 271.408 3.064 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000328088588 799249969 /nfs/dbraw/zinc/24/99/69/799249969.db2.gz IFROJWPUKDHGTG-MOPGFXCFSA-N 2 1 284.447 3.258 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000328088588 799249973 /nfs/dbraw/zinc/24/99/73/799249973.db2.gz IFROJWPUKDHGTG-MOPGFXCFSA-N 2 1 284.447 3.258 20 30 CGEDMP CCCCCCC[C@@H](C)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709871132 800021216 /nfs/dbraw/zinc/02/12/16/800021216.db2.gz RXPNWELUTZDVOA-OAHLLOKOSA-N 2 1 252.446 3.421 20 30 CGEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716713292 800179397 /nfs/dbraw/zinc/17/93/97/800179397.db2.gz NNDHVLMXBVMMSC-BZSNNMDCSA-N 2 1 270.420 3.205 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)S)CC[N@@H+]1Cc1ccccc1 ZINC001256530425 806910776 /nfs/dbraw/zinc/91/07/76/806910776.db2.gz LLLFFOQCYCQKRM-GOEBONIOSA-N 2 1 292.492 3.338 20 30 CGEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)S)CC[N@H+]1Cc1ccccc1 ZINC001256530425 806910777 /nfs/dbraw/zinc/91/07/77/806910777.db2.gz LLLFFOQCYCQKRM-GOEBONIOSA-N 2 1 292.492 3.338 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001246042670 804102189 /nfs/dbraw/zinc/10/21/89/804102189.db2.gz CYEBBLVQJQOXNF-QZTJIDSGSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC001246042674 804102407 /nfs/dbraw/zinc/10/24/07/804102407.db2.gz CYEBBLVQJQOXNF-ZWKOTPCHSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001246048338 804105081 /nfs/dbraw/zinc/10/50/81/804105081.db2.gz BGAJGOIRXYNKQP-SFHVURJKSA-N 2 1 298.515 3.419 20 30 CGEDMP CCCCCCCC[C@H](O)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001246062593 804105310 /nfs/dbraw/zinc/10/53/10/804105310.db2.gz MNWMUXMMEHETFX-SJORKVTESA-N 2 1 284.488 3.029 20 30 CGEDMP C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246327570 804284959 /nfs/dbraw/zinc/28/49/59/804284959.db2.gz OKOJCBDYEZZKMM-LSDHHAIUSA-N 2 1 288.435 3.433 20 30 CGEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246331909 804287991 /nfs/dbraw/zinc/28/79/91/804287991.db2.gz OLQPTDMQHSWZHU-YOODTLSXSA-N 2 1 297.446 3.315 20 30 CGEDMP CCCCCCC[C@H](CC)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246541344 804390203 /nfs/dbraw/zinc/39/02/03/804390203.db2.gz GSJXXMUKFGRUEJ-IRXDYDNUSA-N 2 1 284.488 3.301 20 30 CGEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246551994 804402269 /nfs/dbraw/zinc/40/22/69/804402269.db2.gz OBJQYUWGQSHGTM-VDWCLKJHSA-N 2 1 262.441 3.038 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)C[C@H](C1)C2 ZINC001246561994 804409517 /nfs/dbraw/zinc/40/95/17/804409517.db2.gz VGCXEFDDQGUXAC-KYLYMASSSA-N 2 1 276.468 3.428 20 30 CGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001246616677 804452478 /nfs/dbraw/zinc/45/24/78/804452478.db2.gz ADUFTLKLPNYQMY-RDJZCZTQSA-N 2 1 270.420 3.030 20 30 CGEDMP CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621859 804456167 /nfs/dbraw/zinc/45/61/67/804456167.db2.gz GLYCKJBETKZJRU-FGTMMUONSA-N 2 1 296.499 3.436 20 30 CGEDMP N#Cc1ccc(C2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246629030 804460562 /nfs/dbraw/zinc/46/05/62/804460562.db2.gz DGVCTPKMCUUDTN-WZOJCFFYSA-N 2 1 295.430 3.021 20 30 CGEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001246680650 804494314 /nfs/dbraw/zinc/49/43/14/804494314.db2.gz WOHZPIPMCANTKP-HUUCEWRRSA-N 2 1 252.446 3.277 20 30 CGEDMP CCCCCCC[C@H](CC)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863561 804567854 /nfs/dbraw/zinc/56/78/54/804567854.db2.gz YOLOLODQTCTLGD-TVXGVJEUSA-N 2 1 282.472 3.031 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+](C)[C@H]3CC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001246910373 804593474 /nfs/dbraw/zinc/59/34/74/804593474.db2.gz NKEGVCUWOOQZTD-ABQGOQHXSA-N 2 1 262.441 3.323 20 30 CGEDMP C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167968326 807287712 /nfs/dbraw/zinc/28/77/12/807287712.db2.gz PGYNBYSFGKREPP-IHWFROFDSA-N 2 1 294.442 3.163 20 30 CGEDMP C=CCC[C@@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001258730711 807577977 /nfs/dbraw/zinc/57/79/77/807577977.db2.gz MIYPUOIKBQDVFT-OAHLLOKOSA-N 2 1 252.446 3.393 20 30 CGEDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194275 808006418 /nfs/dbraw/zinc/00/64/18/808006418.db2.gz IUIPCHDPHGOIPP-YJBOKZPZSA-N 2 1 299.462 3.342 20 30 CGEDMP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171194275 808006422 /nfs/dbraw/zinc/00/64/22/808006422.db2.gz IUIPCHDPHGOIPP-YJBOKZPZSA-N 2 1 299.462 3.342 20 30 CGEDMP C[C@@H](Cc1cccc(C#N)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001171230061 808014228 /nfs/dbraw/zinc/01/42/28/808014228.db2.gz SGXPIQXVMDQUOJ-AWEZNQCLSA-N 2 1 294.402 3.025 20 30 CGEDMP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(C#N)cs2)CC1(C)C ZINC001171628896 808107604 /nfs/dbraw/zinc/10/76/04/808107604.db2.gz LQZMSTAXFUCJAF-UHFFFAOYSA-N 2 1 291.464 3.361 20 30 CGEDMP C=CC[NH+](CC=C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639983 808111533 /nfs/dbraw/zinc/11/15/33/808111533.db2.gz XOUUFACKOJOIRQ-UHFFFAOYSA-N 2 1 250.430 3.312 20 30 CGEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001172506800 808362487 /nfs/dbraw/zinc/36/24/87/808362487.db2.gz JSINNCNVVGTGTQ-DLBZAZTESA-N 2 1 277.456 3.409 20 30 CGEDMP C=CCOC1CCC([NH2+]CC[NH+](CCC)CCC)CC1 ZINC001173311067 808606664 /nfs/dbraw/zinc/60/66/64/808606664.db2.gz CLAVORKYCWLMAB-UHFFFAOYSA-N 2 1 282.472 3.212 20 30 CGEDMP N#CCC1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001173332325 808615892 /nfs/dbraw/zinc/61/58/92/808615892.db2.gz LAVCSUUAFYIMBY-CGZBRXJRSA-N 2 1 277.456 3.300 20 30 CGEDMP CC#CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001194734279 811119572 /nfs/dbraw/zinc/11/95/72/811119572.db2.gz RLRZLAZHDIHQRF-UHFFFAOYSA-N 2 1 270.420 3.128 20 30 CGEDMP CCCCCCCC[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001201813467 811968265 /nfs/dbraw/zinc/96/82/65/811968265.db2.gz DUIBCZCENDTTRB-UHFFFAOYSA-N 2 1 295.471 3.477 20 30 CGEDMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203764997 812457837 /nfs/dbraw/zinc/45/78/37/812457837.db2.gz QNXWYBDMLVNPFZ-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001203764997 812457839 /nfs/dbraw/zinc/45/78/39/812457839.db2.gz QNXWYBDMLVNPFZ-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009449 812823509 /nfs/dbraw/zinc/82/35/09/812823509.db2.gz STBHOMSTFQHYJU-MRXNPFEDSA-N 2 1 252.446 3.444 20 30 CGEDMP CCCCCCC/C=C/C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209184 812909534 /nfs/dbraw/zinc/90/95/34/812909534.db2.gz IASKXNGSSIZDCV-IJDCCNJMSA-N 2 1 282.472 3.079 20 30 CGEDMP C=CCCCCCCCCC[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205666068 813048251 /nfs/dbraw/zinc/04/82/51/813048251.db2.gz ZIKRPVLGBSJJSZ-SFHVURJKSA-N 2 1 296.499 3.469 20 30 CGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001206319181 813287414 /nfs/dbraw/zinc/28/74/14/813287414.db2.gz ZITJBTJDXNIZCM-MRXNPFEDSA-N 2 1 291.826 3.163 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206338321 813294692 /nfs/dbraw/zinc/29/46/92/813294692.db2.gz ZPKYOOBUNUNIFF-IAGOWNOFSA-N 2 1 280.431 3.442 20 30 CGEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)CC1 ZINC001206338321 813294697 /nfs/dbraw/zinc/29/46/97/813294697.db2.gz ZPKYOOBUNUNIFF-IAGOWNOFSA-N 2 1 280.431 3.442 20 30 CGEDMP CCc1cc(C#N)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606834 813372659 /nfs/dbraw/zinc/37/26/59/813372659.db2.gz UIGJMTBPQUTNHC-IBGZPJMESA-N 2 1 299.462 3.473 20 30 CGEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001209423577 814026304 /nfs/dbraw/zinc/02/63/04/814026304.db2.gz XVTOQMDWUXPKEY-HDICACEKSA-N 2 1 299.462 3.192 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001209428514 814030128 /nfs/dbraw/zinc/03/01/28/814030128.db2.gz IZOWFCAHIOCYKO-SFHVURJKSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CCCCCC[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001209428514 814030133 /nfs/dbraw/zinc/03/01/33/814030133.db2.gz IZOWFCAHIOCYKO-SFHVURJKSA-N 2 1 294.483 3.308 20 30 CGEDMP C=CCCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209441124 814040853 /nfs/dbraw/zinc/04/08/53/814040853.db2.gz FFCVMPCJSCCDDM-UHFFFAOYSA-N 2 1 261.413 3.268 20 30 CGEDMP C=CCCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209441124 814040858 /nfs/dbraw/zinc/04/08/58/814040858.db2.gz FFCVMPCJSCCDDM-UHFFFAOYSA-N 2 1 261.413 3.268 20 30 CGEDMP CCCCCCCCCCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052433 818991505 /nfs/dbraw/zinc/99/15/05/818991505.db2.gz FMSNONBOVUZORX-SFHVURJKSA-N 2 1 295.515 3.155 20 30 CGEDMP C=CCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247260 819048272 /nfs/dbraw/zinc/04/82/72/819048272.db2.gz CMFVIJVAHCEVQS-QZTJIDSGSA-N 2 1 270.420 3.174 20 30 CGEDMP C=CCCC[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235247260 819048277 /nfs/dbraw/zinc/04/82/77/819048277.db2.gz CMFVIJVAHCEVQS-QZTJIDSGSA-N 2 1 270.420 3.174 20 30 CGEDMP C=CCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235402861 819085438 /nfs/dbraw/zinc/08/54/38/819085438.db2.gz KBIWSMOLWKREHB-CVEARBPZSA-N 2 1 268.420 3.146 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC001235434064 819098675 /nfs/dbraw/zinc/09/86/75/819098675.db2.gz ZWRWVUVKMUIBLC-UHFFFAOYSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409099 819455852 /nfs/dbraw/zinc/45/58/52/819455852.db2.gz RQUILFSDVROYAA-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236409099 819455857 /nfs/dbraw/zinc/45/58/57/819455857.db2.gz RQUILFSDVROYAA-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057936 819656762 /nfs/dbraw/zinc/65/67/62/819656762.db2.gz ORKCMASHKYRARX-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@@](C)(C[NH3+])C1 ZINC001237057936 819656765 /nfs/dbraw/zinc/65/67/65/819656765.db2.gz ORKCMASHKYRARX-SFHVURJKSA-N 2 1 288.435 3.202 20 30 CGEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1C#N ZINC001333840797 936070514 /nfs/dbraw/zinc/07/05/14/936070514.db2.gz IGEHGMWGPVJVMS-IPMKNSEASA-N 2 1 297.446 3.029 20 30 CGEDMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1C#N ZINC001333840798 936071111 /nfs/dbraw/zinc/07/11/11/936071111.db2.gz IGEHGMWGPVJVMS-OTWHNJEPSA-N 2 1 297.446 3.029 20 30 CGEDMP C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CC[NH3+] ZINC001576709886 962490544 /nfs/dbraw/zinc/49/05/44/962490544.db2.gz WOQJXEFEQRETBP-HOTGVXAUSA-N 2 1 277.456 3.300 20 30 CGEDMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001577707501 962560492 /nfs/dbraw/zinc/56/04/92/962560492.db2.gz MNUMCJHOGXZNAQ-DOTOQJQBSA-N 2 1 285.435 3.331 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(=C)C)CC2)C1 ZINC000651700849 398271259 /nfs/dbraw/zinc/27/12/59/398271259.db2.gz WGHHCGJBMNYNHO-WBVHZDCISA-N 2 1 262.441 3.361 20 30 CGEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1 ZINC000651730170 398277361 /nfs/dbraw/zinc/27/73/61/398277361.db2.gz BPZFKIXMDHYNFJ-AEFFLSMTSA-N 2 1 294.483 3.210 20 30 CGEDMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570849 346929009 /nfs/dbraw/zinc/92/90/09/346929009.db2.gz WKFHAGMKZDGOLG-BBRMVZONSA-N 2 1 289.398 3.098 20 30 CGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000531346180 346647058 /nfs/dbraw/zinc/64/70/58/346647058.db2.gz IMYKOSYDTVSLOP-UHFFFAOYSA-N 2 1 279.472 3.369 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594496069 347178402 /nfs/dbraw/zinc/17/84/02/347178402.db2.gz YUOBTXVIEWWINN-QZTJIDSGSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000594496069 347178408 /nfs/dbraw/zinc/17/84/08/347178408.db2.gz YUOBTXVIEWWINN-QZTJIDSGSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594496412 347178751 /nfs/dbraw/zinc/17/87/51/347178751.db2.gz ZSBPUGTXHJLMJN-ROUUACIJSA-N 2 1 297.446 3.204 20 30 CGEDMP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594496410 347178772 /nfs/dbraw/zinc/17/87/72/347178772.db2.gz ZSBPUGTXHJLMJN-MSOLQXFVSA-N 2 1 297.446 3.204 20 30 CGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514117 347184536 /nfs/dbraw/zinc/18/45/36/347184536.db2.gz PKQNLZVNQAGDJR-PBHICJAKSA-N 2 1 285.435 3.060 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012193 347527722 /nfs/dbraw/zinc/52/77/22/347527722.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012193 347527725 /nfs/dbraw/zinc/52/77/25/347527725.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012193 347527727 /nfs/dbraw/zinc/52/77/27/347527727.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC[NH+]1C ZINC000597012193 347527729 /nfs/dbraw/zinc/52/77/29/347527729.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 2 1 297.446 3.156 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966452 347701648 /nfs/dbraw/zinc/70/16/48/347701648.db2.gz XLXPOSGMBHVZGW-CZUORRHYSA-N 2 1 271.408 3.082 20 30 CGEDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966452 347701650 /nfs/dbraw/zinc/70/16/50/347701650.db2.gz XLXPOSGMBHVZGW-CZUORRHYSA-N 2 1 271.408 3.082 20 30 CGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C#N ZINC000599331080 347736134 /nfs/dbraw/zinc/73/61/34/347736134.db2.gz GHOPNCMFRGTQBH-CRAIPNDOSA-N 2 1 294.402 3.146 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121907 349980666 /nfs/dbraw/zinc/98/06/66/349980666.db2.gz FWHWZKGWCKOXLR-HOCLYGCPSA-N 2 1 250.430 3.053 20 30 CGEDMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388195 348443728 /nfs/dbraw/zinc/44/37/28/348443728.db2.gz YKXFZASKKTVSAS-PBHICJAKSA-N 2 1 271.408 3.083 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@H+](CCC#N)CC(C)(C)C ZINC000120553797 370779482 /nfs/dbraw/zinc/77/94/82/370779482.db2.gz WDBMUCAKSIBGQG-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP Cc1[nH+]ccn1CCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000120553797 370779489 /nfs/dbraw/zinc/77/94/89/370779489.db2.gz WDBMUCAKSIBGQG-UHFFFAOYSA-N 2 1 276.428 3.234 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275780519 193126274 /nfs/dbraw/zinc/12/62/74/193126274.db2.gz WDBFSKUISXRMCB-DOTOQJQBSA-N 2 1 258.409 3.205 20 30 CGEDMP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275780519 193126275 /nfs/dbraw/zinc/12/62/75/193126275.db2.gz WDBFSKUISXRMCB-DOTOQJQBSA-N 2 1 258.409 3.205 20 30 CGEDMP C=CCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000574247973 335003828 /nfs/dbraw/zinc/00/38/28/335003828.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000574247973 335003830 /nfs/dbraw/zinc/00/38/30/335003830.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000574247973 335003831 /nfs/dbraw/zinc/00/38/31/335003831.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 2 1 262.441 3.291 20 30 CGEDMP C=CC[N@H+](CCCn1ccnc1C)Cc1cccs1 ZINC000127282013 370951514 /nfs/dbraw/zinc/95/15/14/370951514.db2.gz XTKDPAKNLDIMKD-UHFFFAOYSA-N 2 1 275.421 3.331 20 30 CGEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccs1 ZINC000127282013 370951522 /nfs/dbraw/zinc/95/15/22/370951522.db2.gz XTKDPAKNLDIMKD-UHFFFAOYSA-N 2 1 275.421 3.331 20 30 CGEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(C)(C)CCC#N ZINC000093660246 370152444 /nfs/dbraw/zinc/15/24/44/370152444.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)CCC#N ZINC000093660246 370152452 /nfs/dbraw/zinc/15/24/52/370152452.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(C)(C)CCC#N ZINC000093660246 370152459 /nfs/dbraw/zinc/15/24/59/370152459.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 2 1 265.445 3.123 20 30 CGEDMP C[N@H+](CCCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200449 370493177 /nfs/dbraw/zinc/49/31/77/370493177.db2.gz LASASJLDBBINHT-UHFFFAOYSA-N 2 1 285.435 3.277 20 30 CGEDMP C[N@@H+](CCCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200449 370493182 /nfs/dbraw/zinc/49/31/82/370493182.db2.gz LASASJLDBBINHT-UHFFFAOYSA-N 2 1 285.435 3.277 20 30 CGEDMP C=CCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687999 372795975 /nfs/dbraw/zinc/79/59/75/372795975.db2.gz LAALJAOHIPQHKH-CQSZACIVSA-N 2 1 291.464 3.053 20 30 CGEDMP C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442767069 373075909 /nfs/dbraw/zinc/07/59/09/373075909.db2.gz LZBGCHAMSNZNBK-KBAYOESNSA-N 2 1 285.435 3.179 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449120464 373664171 /nfs/dbraw/zinc/66/41/71/373664171.db2.gz DBQBFTXPMIJUTQ-HLLBOEOZSA-N 2 1 264.457 3.441 20 30 CGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185821380 374744153 /nfs/dbraw/zinc/74/41/53/374744153.db2.gz BOUUWYXAQLWJJJ-YJBOKZPZSA-N 2 1 285.435 3.310 20 30 CGEDMP C=C(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000512395282 375796153 /nfs/dbraw/zinc/79/61/53/375796153.db2.gz RYOPRTGBAVLYCM-UHFFFAOYSA-N 2 1 260.425 3.310 20 30 CGEDMP C=CCCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339436058 376755488 /nfs/dbraw/zinc/75/54/88/376755488.db2.gz CCGYLQQOIUEGCF-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436058 376755492 /nfs/dbraw/zinc/75/54/92/376755492.db2.gz CCGYLQQOIUEGCF-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339436058 376755501 /nfs/dbraw/zinc/75/55/01/376755501.db2.gz CCGYLQQOIUEGCF-INIZCTEOSA-N 2 1 250.430 3.151 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000153002239 542109830 /nfs/dbraw/zinc/10/98/30/542109830.db2.gz ODGQYKQIVNFSFU-GOSISDBHSA-N 2 1 288.410 3.443 20 30 CGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895333 376927392 /nfs/dbraw/zinc/92/73/92/376927392.db2.gz MYUFMWTXMDHLHQ-NVXWUHKLSA-N 2 1 285.435 3.329 20 30 CGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248811118 377404329 /nfs/dbraw/zinc/40/43/29/377404329.db2.gz KNBOGWXMDLHBOC-ZACQAIPSSA-N 2 1 277.456 3.170 20 30 CGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248867796 377416561 /nfs/dbraw/zinc/41/65/61/377416561.db2.gz QHLOVRYTKBWRIU-NNXHMXCWSA-N 2 1 277.456 3.025 20 30 CGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248867796 377416564 /nfs/dbraw/zinc/41/65/64/377416564.db2.gz QHLOVRYTKBWRIU-NNXHMXCWSA-N 2 1 277.456 3.025 20 30 CGEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249156846 377472809 /nfs/dbraw/zinc/47/28/09/377472809.db2.gz XDRZAEUUUQXAQX-GUDVDZBRSA-N 2 1 297.446 3.180 20 30 CGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCC#N)CC1 ZINC000264149925 377958554 /nfs/dbraw/zinc/95/85/54/377958554.db2.gz ZWAQTFVXTCEWOA-UHFFFAOYSA-N 2 1 285.435 3.134 20 30 CGEDMP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C[NH+]1CCCC1 ZINC000271911774 378514884 /nfs/dbraw/zinc/51/48/84/378514884.db2.gz DZIPZIIZPDTLEB-KGLIPLIRSA-N 2 1 289.398 3.080 20 30 CGEDMP C=C(C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346775514 378688182 /nfs/dbraw/zinc/68/81/82/378688182.db2.gz GZEKDULBGHLKET-RDJZCZTQSA-N 2 1 258.409 3.020 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274875538 378910942 /nfs/dbraw/zinc/91/09/42/378910942.db2.gz YGILLXBSPWSRKD-DOTOQJQBSA-N 2 1 258.409 3.063 20 30 CGEDMP C=CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274875538 378910950 /nfs/dbraw/zinc/91/09/50/378910950.db2.gz YGILLXBSPWSRKD-DOTOQJQBSA-N 2 1 258.409 3.063 20 30 CGEDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221988 380366966 /nfs/dbraw/zinc/36/69/66/380366966.db2.gz IFAQURXDFWXAAM-SUMWQHHRSA-N 2 1 289.398 3.002 20 30 CGEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358337019 381305585 /nfs/dbraw/zinc/30/55/85/381305585.db2.gz DWKPNLCRQDCVNC-OLMNPRSZSA-N 2 1 283.419 3.104 20 30 CGEDMP CC(C)[NH2+]C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000336806284 262395810 /nfs/dbraw/zinc/39/58/10/262395810.db2.gz QGZKCWWRJKHOKB-UHFFFAOYSA-N 2 1 265.445 3.169 20 30 CGEDMP C=CCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289457652 392422470 /nfs/dbraw/zinc/42/24/70/392422470.db2.gz VMLBONVTCWXQEX-UHFFFAOYSA-N 2 1 260.381 3.199 20 30 CGEDMP C=CCCCCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647885874 392827412 /nfs/dbraw/zinc/82/74/12/392827412.db2.gz AEXYWGYEQHLJNP-UHFFFAOYSA-N 2 1 252.446 3.444 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281062 392879298 /nfs/dbraw/zinc/87/92/98/392879298.db2.gz VXGMHMMDRVHXNQ-OAHLLOKOSA-N 2 1 271.408 3.037 20 30 CGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281062 392879305 /nfs/dbraw/zinc/87/93/05/392879305.db2.gz VXGMHMMDRVHXNQ-OAHLLOKOSA-N 2 1 271.408 3.037 20 30 CGEDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249366 393315709 /nfs/dbraw/zinc/31/57/09/393315709.db2.gz MLJMUVFINADHJX-MAUKXSAKSA-N 2 1 283.419 3.083 20 30 CGEDMP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037319128 173119028 /nfs/dbraw/zinc/11/90/28/173119028.db2.gz UCXXNEQDEASMHO-OAHLLOKOSA-N 2 1 285.435 3.473 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]CC(CC)(CC)CC)CC1 ZINC000679841253 543664623 /nfs/dbraw/zinc/66/46/23/543664623.db2.gz WCZIAIJEHLLNMN-UHFFFAOYSA-N 2 1 252.446 3.443 20 30 CGEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000665255770 419093483 /nfs/dbraw/zinc/09/34/83/419093483.db2.gz BBMVXPIIYQYTIO-JLSDUUJJSA-N 2 1 288.435 3.085 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657875976 419399171 /nfs/dbraw/zinc/39/91/71/419399171.db2.gz RNNOKAOEFOVLQZ-IKGGRYGDSA-N 2 1 276.468 3.441 20 30 CGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657835875 419378968 /nfs/dbraw/zinc/37/89/68/419378968.db2.gz RNEYCSXAYSTWSD-ZMSDIMECSA-N 2 1 262.441 3.195 20 30 CGEDMP N#CCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678487 260002162 /nfs/dbraw/zinc/00/21/62/260002162.db2.gz WZEBMISRSPLGNK-MOPGFXCFSA-N 2 1 297.446 3.134 20 30 CGEDMP CCCC[N@H+](CC)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000521029493 262171521 /nfs/dbraw/zinc/17/15/21/262171521.db2.gz FIWAYSOYEPNTLH-UHFFFAOYSA-N 2 1 273.424 3.312 20 30 CGEDMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000521029493 262171522 /nfs/dbraw/zinc/17/15/22/262171522.db2.gz FIWAYSOYEPNTLH-UHFFFAOYSA-N 2 1 273.424 3.312 20 30 CGEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](CCCC)CC2)cc1 ZINC000289350910 263109313 /nfs/dbraw/zinc/10/93/13/263109313.db2.gz XKNYQIQTYQZPRG-UHFFFAOYSA-N 2 1 270.420 3.022 20 30 CGEDMP C=CC[N@@H+](CCC[NH+](CC)CC)Cc1ccccc1 ZINC000340602088 263219212 /nfs/dbraw/zinc/21/92/12/263219212.db2.gz AQNRMERSOZABBU-UHFFFAOYSA-N 2 1 260.425 3.407 20 30 CGEDMP C=CC[N@H+](CCC[NH+](CC)CC)Cc1ccccc1 ZINC000340602088 263219214 /nfs/dbraw/zinc/21/92/14/263219214.db2.gz AQNRMERSOZABBU-UHFFFAOYSA-N 2 1 260.425 3.407 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076000672 279125418 /nfs/dbraw/zinc/12/54/18/279125418.db2.gz QZIOHLYQDFGTMT-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076000672 279125420 /nfs/dbraw/zinc/12/54/20/279125420.db2.gz QZIOHLYQDFGTMT-RDJZCZTQSA-N 2 1 285.435 3.283 20 30 CGEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000572469997 330115096 /nfs/dbraw/zinc/11/50/96/330115096.db2.gz LBGHOBZPHBYHIX-INIZCTEOSA-N 2 1 298.434 3.060 20 30 CGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000572469997 330115097 /nfs/dbraw/zinc/11/50/97/330115097.db2.gz LBGHOBZPHBYHIX-INIZCTEOSA-N 2 1 298.434 3.060 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422912840 330160135 /nfs/dbraw/zinc/16/01/35/330160135.db2.gz WZWZJBSZRAIJSS-CVEARBPZSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912842 330160152 /nfs/dbraw/zinc/16/01/52/330160152.db2.gz WZWZJBSZRAIJSS-HZPDHXFCSA-N 2 1 274.408 3.001 20 30 CGEDMP C=CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422990907 330163148 /nfs/dbraw/zinc/16/31/48/330163148.db2.gz AIZIYRLHRNHNIL-USXIJHARSA-N 2 1 258.409 3.424 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000453104532 331089639 /nfs/dbraw/zinc/08/96/39/331089639.db2.gz UQMDTQDIOKSLGB-KRWDZBQOSA-N 2 1 273.424 3.163 20 30 CGEDMP C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459799698 331301627 /nfs/dbraw/zinc/30/16/27/331301627.db2.gz YWYTZIPRMUFPDB-HOTGVXAUSA-N 2 1 252.446 3.443 20 30 CGEDMP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CC(C)C ZINC000185773155 333148569 /nfs/dbraw/zinc/14/85/69/333148569.db2.gz UPUSYXHQZKSFIW-BBWFWOEESA-N 2 1 279.472 3.415 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000133829723 334062191 /nfs/dbraw/zinc/06/21/91/334062191.db2.gz KIGRDWUWEFWEOG-KRWDZBQOSA-N 2 1 286.463 3.495 20 30 CGEDMP C[C@H]1C[C@H](N(C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123038 334116634 /nfs/dbraw/zinc/11/66/34/334116634.db2.gz OSLLPYNUINOGRE-GOEBONIOSA-N 2 1 290.838 3.106 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC2(C)C)CC1 ZINC000177917705 335405440 /nfs/dbraw/zinc/40/54/40/335405440.db2.gz JEALUPOPIODPOP-HNNXBMFYSA-N 2 1 250.430 3.195 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000425530426 534078138 /nfs/dbraw/zinc/07/81/38/534078138.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000425530426 534078148 /nfs/dbraw/zinc/07/81/48/534078148.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000425530426 534078153 /nfs/dbraw/zinc/07/81/53/534078153.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C[C@@H](c1cccc(C#N)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000425530426 534078162 /nfs/dbraw/zinc/07/81/62/534078162.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 2 1 271.408 3.035 20 30 CGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923701 527425857 /nfs/dbraw/zinc/42/58/57/527425857.db2.gz OSAFPNKLKFZYMM-AEFFLSMTSA-N 2 1 272.436 3.453 20 30 CGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924986671 619476820 /nfs/dbraw/zinc/47/68/20/619476820.db2.gz MMFTVELJGFTKTB-KRWDZBQOSA-N 2 1 292.467 3.108 20 30 CGEDMP CCCCCCCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813810 621814606 /nfs/dbraw/zinc/81/46/06/621814606.db2.gz IQRLMVJBGUPMLF-UHFFFAOYSA-N 2 1 282.472 3.191 20 30 CGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921684895 625831921 /nfs/dbraw/zinc/83/19/21/625831921.db2.gz DDKJKLLUSOFPFQ-CYBMUJFWSA-N 2 1 296.418 3.106 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000815652857 631813585 /nfs/dbraw/zinc/81/35/85/631813585.db2.gz XHCPZCAINSXHAN-KRWDZBQOSA-N 2 1 290.838 3.262 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000815652857 631813587 /nfs/dbraw/zinc/81/35/87/631813587.db2.gz XHCPZCAINSXHAN-KRWDZBQOSA-N 2 1 290.838 3.262 20 30 CGEDMP CC#CCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255665 635958624 /nfs/dbraw/zinc/95/86/24/635958624.db2.gz UGOQQXWJYYGVCX-UHFFFAOYSA-N 2 1 262.441 3.130 20 30 CGEDMP C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000872100973 634022590 /nfs/dbraw/zinc/02/25/90/634022590.db2.gz LKUMZAWJKXPYDV-GOOCMWNKSA-N 2 1 250.430 3.194 20 30 CGEDMP C=CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151056 635380169 /nfs/dbraw/zinc/38/01/69/635380169.db2.gz UEAZQNIRTKIYBY-WMZOPIPTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151056 635380174 /nfs/dbraw/zinc/38/01/74/635380174.db2.gz UEAZQNIRTKIYBY-WMZOPIPTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151056 635380181 /nfs/dbraw/zinc/38/01/81/635380181.db2.gz UEAZQNIRTKIYBY-WMZOPIPTSA-N 2 1 272.436 3.405 20 30 CGEDMP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000845929593 636120164 /nfs/dbraw/zinc/12/01/64/636120164.db2.gz WIDUOGBNIHGSCR-DOTOQJQBSA-N 2 1 296.418 3.410 20 30 CGEDMP CCCCCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222617 636163610 /nfs/dbraw/zinc/16/36/10/636163610.db2.gz KYNQKRKHESKSIA-BBWFWOEESA-N 2 1 282.472 3.175 20 30 CGEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCCO1 ZINC000883185913 636571713 /nfs/dbraw/zinc/57/17/13/636571713.db2.gz GRCRMGSDWQHVDP-FGTMMUONSA-N 2 1 294.483 3.210 20 30 CGEDMP C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926626926 638791845 /nfs/dbraw/zinc/79/18/45/638791845.db2.gz LZLPMBNENICDPW-CQSZACIVSA-N 2 1 271.408 3.093 20 30 CGEDMP C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677237 806485345 /nfs/dbraw/zinc/48/53/45/806485345.db2.gz RKSBJUAQXQZUFS-QAPCUYQASA-N 2 1 289.467 3.408 20 30 CGEDMP N#CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131437 806550260 /nfs/dbraw/zinc/55/02/60/806550260.db2.gz DPZYUIAVLUJOAY-DJPWPSDPSA-N 2 1 295.430 3.074 20 30 CGEDMP N#CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131439 806550000 /nfs/dbraw/zinc/55/00/00/806550000.db2.gz DPZYUIAVLUJOAY-QHPSASCESA-N 2 1 295.430 3.074 20 30 CGEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000327972268 799248346 /nfs/dbraw/zinc/24/83/46/799248346.db2.gz GMOXAQBCEBRVAN-UHFFFAOYSA-N 2 1 290.838 3.131 20 30 CGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000327972268 799248352 /nfs/dbraw/zinc/24/83/52/799248352.db2.gz GMOXAQBCEBRVAN-UHFFFAOYSA-N 2 1 290.838 3.131 20 30 CGEDMP C#CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000714970252 800129681 /nfs/dbraw/zinc/12/96/81/800129681.db2.gz WOKWWJZDJRKCII-VQTJNVASSA-N 2 1 296.458 3.386 20 30 CGEDMP C=CC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000715039247 800129827 /nfs/dbraw/zinc/12/98/27/800129827.db2.gz LYUMLPOAINDYIA-UHOSZYNNSA-N 2 1 284.447 3.405 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](CC)C[NH3+] ZINC001246000876 804097781 /nfs/dbraw/zinc/09/77/81/804097781.db2.gz MLEMUBBVCOGKRC-JKSUJKDBSA-N 2 1 272.477 3.205 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246019018 804100440 /nfs/dbraw/zinc/10/04/40/804100440.db2.gz HEFXJZBPMXHLKX-BRWVUGGUSA-N 2 1 284.488 3.300 20 30 CGEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246019018 804100442 /nfs/dbraw/zinc/10/04/42/804100442.db2.gz HEFXJZBPMXHLKX-BRWVUGGUSA-N 2 1 284.488 3.300 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246069524 804108760 /nfs/dbraw/zinc/10/87/60/804108760.db2.gz NTBZMNKNPOJIEJ-MSOLQXFVSA-N 2 1 296.499 3.336 20 30 CGEDMP C=CCCCCCC[C@H](O)C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001246069524 804108762 /nfs/dbraw/zinc/10/87/62/804108762.db2.gz NTBZMNKNPOJIEJ-MSOLQXFVSA-N 2 1 296.499 3.336 20 30 CGEDMP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])COC ZINC001246238161 804230009 /nfs/dbraw/zinc/23/00/09/804230009.db2.gz FLDVZVFWCQLCPR-HUUCEWRRSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCC[C@H](CCC)[NH2+]C[C@H]([NH3+])COC ZINC001246238160 804230226 /nfs/dbraw/zinc/23/02/26/804230226.db2.gz FLDVZVFWCQLCPR-GJZGRUSLSA-N 2 1 258.450 3.079 20 30 CGEDMP CCCCCCCCC[C@H](C)[NH2+]C[C@H]([NH3+])COC ZINC001246242552 804234015 /nfs/dbraw/zinc/23/40/15/804234015.db2.gz YYDMKOUSFQAQCC-GJZGRUSLSA-N 2 1 258.450 3.079 20 30 CGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](CCC)CCCC ZINC001246302134 804267547 /nfs/dbraw/zinc/26/75/47/804267547.db2.gz AOBGZTBRFKRTAC-HOTGVXAUSA-N 2 1 298.471 3.162 20 30 CGEDMP C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+] ZINC001246539219 804389136 /nfs/dbraw/zinc/38/91/36/804389136.db2.gz FPBWZRUFTGLRAE-YUCBAPQESA-N 2 1 297.446 3.111 20 30 CGEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)C[C@H](C1)C2 ZINC001246592805 804435726 /nfs/dbraw/zinc/43/57/26/804435726.db2.gz QREVKCVDTTVVFJ-VPEURPPWSA-N 2 1 262.441 3.181 20 30 CGEDMP CCCCCCCCC[C@H](C)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246623794 804457251 /nfs/dbraw/zinc/45/72/51/804457251.db2.gz LBRSGXQZBKLBLS-ROUUACIJSA-N 2 1 295.515 3.153 20 30 CGEDMP CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246632691 804462188 /nfs/dbraw/zinc/46/21/88/804462188.db2.gz WSFGKAFVWICOIS-ZWKOTPCHSA-N 2 1 295.515 3.153 20 30 CGEDMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771260 804504844 /nfs/dbraw/zinc/50/48/44/804504844.db2.gz XLKKUJCDPWOIDE-PIIMJCKOSA-N 2 1 285.435 3.299 20 30 CGEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246840789 804549891 /nfs/dbraw/zinc/54/98/91/804549891.db2.gz PYYNLQVCSCNPBT-KRWDZBQOSA-N 2 1 270.420 3.349 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246939312 804610254 /nfs/dbraw/zinc/61/02/54/804610254.db2.gz RMDUSLRIXBQHKI-GVDBMIGSSA-N 2 1 284.488 3.156 20 30 CGEDMP CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246939312 804610260 /nfs/dbraw/zinc/61/02/60/804610260.db2.gz RMDUSLRIXBQHKI-GVDBMIGSSA-N 2 1 284.488 3.156 20 30 CGEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001167837486 807258327 /nfs/dbraw/zinc/25/83/27/807258327.db2.gz LLKLAMBUELVGHP-VQHPVUNQSA-N 2 1 277.456 3.263 20 30 CGEDMP N#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167965655 807288727 /nfs/dbraw/zinc/28/87/27/807288727.db2.gz JLIHUPTVIMJYKI-MHDJUUOISA-N 2 1 287.451 3.064 20 30 CGEDMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001169232775 807611568 /nfs/dbraw/zinc/61/15/68/807611568.db2.gz AWARHGYXKHMHIF-GOSISDBHSA-N 2 1 285.435 3.329 20 30 CGEDMP CC[NH+]1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001169261439 807618250 /nfs/dbraw/zinc/61/82/50/807618250.db2.gz FURZBSFVFPOQIY-UHFFFAOYSA-N 2 1 297.446 3.222 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001173314371 808607992 /nfs/dbraw/zinc/60/79/92/808607992.db2.gz PDZMSLABTAOETB-UHQQODTQSA-N 2 1 292.467 3.105 20 30 CGEDMP C=CCOC1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001173314371 808607996 /nfs/dbraw/zinc/60/79/96/808607996.db2.gz PDZMSLABTAOETB-UHQQODTQSA-N 2 1 292.467 3.105 20 30 CGEDMP C=CC[NH+]1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001177683837 809815755 /nfs/dbraw/zinc/81/57/55/809815755.db2.gz XJVAFPRKFWZBKQ-UHFFFAOYSA-N 2 1 270.420 3.304 20 30 CGEDMP C=C(C)CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197587283 811431512 /nfs/dbraw/zinc/43/15/12/811431512.db2.gz ARPRHNCZFDOHDL-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197587283 811431517 /nfs/dbraw/zinc/43/15/17/811431517.db2.gz ARPRHNCZFDOHDL-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197587283 811431521 /nfs/dbraw/zinc/43/15/21/811431521.db2.gz ARPRHNCZFDOHDL-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP C=C(C)CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197587283 811431525 /nfs/dbraw/zinc/43/15/25/811431525.db2.gz ARPRHNCZFDOHDL-RBUKOAKNSA-N 2 1 284.447 3.407 20 30 CGEDMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203906370 812488399 /nfs/dbraw/zinc/48/83/99/812488399.db2.gz OVSXRKWCGLJVOC-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001203906370 812488401 /nfs/dbraw/zinc/48/84/01/812488401.db2.gz OVSXRKWCGLJVOC-UHFFFAOYSA-N 2 1 285.435 3.255 20 30 CGEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009309 812822378 /nfs/dbraw/zinc/82/23/78/812822378.db2.gz NEBORKYOAXLFGU-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009309 812822383 /nfs/dbraw/zinc/82/23/83/812822383.db2.gz NEBORKYOAXLFGU-MRXNPFEDSA-N 2 1 288.435 3.073 20 30 CGEDMP CCCCCCCC[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205536891 812996753 /nfs/dbraw/zinc/99/67/53/812996753.db2.gz BPPMSUNYEISGKP-OAHLLOKOSA-N 2 1 258.425 3.500 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001206573472 813358800 /nfs/dbraw/zinc/35/88/00/813358800.db2.gz LOTITCNEZJFCEJ-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001206573472 813358808 /nfs/dbraw/zinc/35/88/08/813358808.db2.gz LOTITCNEZJFCEJ-INIZCTEOSA-N 2 1 291.826 3.163 20 30 CGEDMP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001206801473 813439955 /nfs/dbraw/zinc/43/99/55/813439955.db2.gz WNUHMTUCZDLMOO-QFBILLFUSA-N 2 1 299.462 3.419 20 30 CGEDMP C#C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208940502 813908722 /nfs/dbraw/zinc/90/87/22/813908722.db2.gz SLQCAXKKVIJEIC-ICSRJNTNSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940502 813908735 /nfs/dbraw/zinc/90/87/35/813908735.db2.gz SLQCAXKKVIJEIC-ICSRJNTNSA-N 2 1 296.458 3.244 20 30 CGEDMP C#C[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940502 813908740 /nfs/dbraw/zinc/90/87/40/813908740.db2.gz SLQCAXKKVIJEIC-ICSRJNTNSA-N 2 1 296.458 3.244 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001209199840 813963681 /nfs/dbraw/zinc/96/36/81/813963681.db2.gz CDTAFNGOTOGBEU-SFHVURJKSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001209199840 813963688 /nfs/dbraw/zinc/96/36/88/813963688.db2.gz CDTAFNGOTOGBEU-SFHVURJKSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209199840 813963696 /nfs/dbraw/zinc/96/36/96/813963696.db2.gz CDTAFNGOTOGBEU-SFHVURJKSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001209199840 813963703 /nfs/dbraw/zinc/96/37/03/813963703.db2.gz CDTAFNGOTOGBEU-SFHVURJKSA-N 2 1 294.483 3.166 20 30 CGEDMP C=CCCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209440799 814041346 /nfs/dbraw/zinc/04/13/46/814041346.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 2 1 250.430 3.291 20 30 CGEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235255185 819051962 /nfs/dbraw/zinc/05/19/62/819051962.db2.gz CZDGMESBVJWNPA-JKSUJKDBSA-N 2 1 250.430 3.197 20 30 CGEDMP C=CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C(C)(C)C ZINC001236310227 819419686 /nfs/dbraw/zinc/41/96/86/819419686.db2.gz VVNCDKKIQLXEFP-UHFFFAOYSA-N 2 1 258.409 3.119 20 30 CGEDMP C=CC[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434753 819478279 /nfs/dbraw/zinc/47/82/79/819478279.db2.gz WMJSZXQFOYFJMX-UKRRQHHQSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CC[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)C1CCCCC1 ZINC001236434753 819478283 /nfs/dbraw/zinc/47/82/83/819478283.db2.gz WMJSZXQFOYFJMX-UKRRQHHQSA-N 2 1 286.410 3.298 20 30 CGEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236821546 819607411 /nfs/dbraw/zinc/60/74/11/819607411.db2.gz VKJSPVOWJBMJCI-HRCADAONSA-N 2 1 250.430 3.182 20 30 CGEDMP