smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC[C@@H]2CCC[N@H+]2C)c(C#N)c(C)[nH+]1 ZINC000160542768 178166674 /nfs/dbraw/zinc/16/66/74/178166674.db2.gz GZYCIGCWRAPYEN-LBPRGKRZSA-N 2 2 244.342 2.076 10 30 BEEELP Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c(C#N)c(C)[nH+]1 ZINC000160542768 178166676 /nfs/dbraw/zinc/16/66/76/178166676.db2.gz GZYCIGCWRAPYEN-LBPRGKRZSA-N 2 2 244.342 2.076 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000379964053 538982606 /nfs/dbraw/zinc/98/26/06/538982606.db2.gz YAFZCNKYSIMYDA-RWMBFGLXSA-N 2 2 210.365 2.271 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000379964053 538982608 /nfs/dbraw/zinc/98/26/08/538982608.db2.gz YAFZCNKYSIMYDA-RWMBFGLXSA-N 2 2 210.365 2.271 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251075050 343534329 /nfs/dbraw/zinc/53/43/29/343534329.db2.gz GHFIOECOCUJDQX-XQLPTFJDSA-N 2 2 247.386 2.285 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251075050 343534332 /nfs/dbraw/zinc/53/43/32/343534332.db2.gz GHFIOECOCUJDQX-XQLPTFJDSA-N 2 2 247.386 2.285 10 30 BEEELP Cc1ccccc1C[N@H+](C)CCCC/C(N)=[NH+]\O ZINC000049580243 179270331 /nfs/dbraw/zinc/27/03/31/179270331.db2.gz ZESKPNJWZMAMJW-UHFFFAOYSA-N 2 2 249.358 2.344 10 30 BEEELP Cc1ccccc1C[N@@H+](C)CCCC/C(N)=[NH+]\O ZINC000049580243 179270333 /nfs/dbraw/zinc/27/03/33/179270333.db2.gz ZESKPNJWZMAMJW-UHFFFAOYSA-N 2 2 249.358 2.344 10 30 BEEELP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595695612 348306346 /nfs/dbraw/zinc/30/63/46/348306346.db2.gz WZUIZFFQEHNENI-MGPQQGTHSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595695612 348306349 /nfs/dbraw/zinc/30/63/49/348306349.db2.gz WZUIZFFQEHNENI-MGPQQGTHSA-N 2 2 235.375 2.143 10 30 BEEELP N#Cc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616606064 350796500 /nfs/dbraw/zinc/79/65/00/350796500.db2.gz XJMYZGAYUJZJMP-OAHLLOKOSA-N 2 2 243.354 2.434 10 30 BEEELP N#Cc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616606064 350796502 /nfs/dbraw/zinc/79/65/02/350796502.db2.gz XJMYZGAYUJZJMP-OAHLLOKOSA-N 2 2 243.354 2.434 10 30 BEEELP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702626 371544569 /nfs/dbraw/zinc/54/45/69/371544569.db2.gz NDBCNRLYFSRGOF-LBPRGKRZSA-N 2 2 223.364 2.000 10 30 BEEELP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702626 371544577 /nfs/dbraw/zinc/54/45/77/371544577.db2.gz NDBCNRLYFSRGOF-LBPRGKRZSA-N 2 2 223.364 2.000 10 30 BEEELP C#CC[NH2+]C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000053522311 166188132 /nfs/dbraw/zinc/18/81/32/166188132.db2.gz POSCBRQRIBNZEV-CYBMUJFWSA-N 2 2 241.338 2.437 10 30 BEEELP C#CC[NH2+]C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000053522307 166188894 /nfs/dbraw/zinc/18/88/94/166188894.db2.gz POSCBRQRIBNZEV-ZDUSSCGKSA-N 2 2 241.338 2.437 10 30 BEEELP C=CCN(CC=C)c1[nH+]c(C)cc(C)c1C[NH3+] ZINC000051396100 166339970 /nfs/dbraw/zinc/33/99/70/166339970.db2.gz JKYHCEPMFJAFGX-UHFFFAOYSA-N 2 2 231.343 2.336 10 30 BEEELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335772 170023033 /nfs/dbraw/zinc/02/30/33/170023033.db2.gz JBWPLKKOTYWYJT-WFASDCNBSA-N 2 2 243.354 2.303 10 30 BEEELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335772 170023034 /nfs/dbraw/zinc/02/30/34/170023034.db2.gz JBWPLKKOTYWYJT-WFASDCNBSA-N 2 2 243.354 2.303 10 30 BEEELP N#Cc1cccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616628524 351098640 /nfs/dbraw/zinc/09/86/40/351098640.db2.gz MNQIRHCWOUXGTG-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616628524 351098641 /nfs/dbraw/zinc/09/86/41/351098641.db2.gz MNQIRHCWOUXGTG-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511867 352621362 /nfs/dbraw/zinc/62/13/62/352621362.db2.gz FEMJQOBZTSNDSC-DOMZBBRYSA-N 2 2 243.354 2.303 10 30 BEEELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511867 352621365 /nfs/dbraw/zinc/62/13/65/352621365.db2.gz FEMJQOBZTSNDSC-DOMZBBRYSA-N 2 2 243.354 2.303 10 30 BEEELP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054827102 369101315 /nfs/dbraw/zinc/10/13/15/369101315.db2.gz PLKMGOJFYAWLTD-GXTWGEPZSA-N 2 2 235.375 2.143 10 30 BEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000105896894 384885811 /nfs/dbraw/zinc/88/58/11/384885811.db2.gz QWBPTNYTEHZMDX-ZDUSSCGKSA-N 2 2 246.358 2.386 10 30 BEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000105896894 384885817 /nfs/dbraw/zinc/88/58/17/384885817.db2.gz QWBPTNYTEHZMDX-ZDUSSCGKSA-N 2 2 246.358 2.386 10 30 BEEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000253354618 388815144 /nfs/dbraw/zinc/81/51/44/388815144.db2.gz FBSXBURDDIZQET-QPSCCSFWSA-N 2 2 249.402 2.387 10 30 BEEELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000253354618 388815145 /nfs/dbraw/zinc/81/51/45/388815145.db2.gz FBSXBURDDIZQET-QPSCCSFWSA-N 2 2 249.402 2.387 10 30 BEEELP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000061891096 398108157 /nfs/dbraw/zinc/10/81/57/398108157.db2.gz HIXSZBURWSHQLG-OCCSQVGLSA-N 2 2 235.375 2.141 10 30 BEEELP C=CC[N@@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000076609530 166340885 /nfs/dbraw/zinc/34/08/85/166340885.db2.gz FZDKKTQIFJNQAU-UHFFFAOYSA-N 2 2 218.344 2.250 10 30 BEEELP C=CC[N@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000076609530 166340888 /nfs/dbraw/zinc/34/08/88/166340888.db2.gz FZDKKTQIFJNQAU-UHFFFAOYSA-N 2 2 218.344 2.250 10 30 BEEELP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235324877 176174819 /nfs/dbraw/zinc/17/48/19/176174819.db2.gz GZMZCMJNYMOFDR-IUODEOHRSA-N 2 2 243.354 2.117 10 30 BEEELP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235324877 176174820 /nfs/dbraw/zinc/17/48/20/176174820.db2.gz GZMZCMJNYMOFDR-IUODEOHRSA-N 2 2 243.354 2.117 10 30 BEEELP C=C(Cl)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000125775573 590188867 /nfs/dbraw/zinc/18/88/67/590188867.db2.gz JKVGDZGZUOIHAC-ZYHUDNBSSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000125775573 590188868 /nfs/dbraw/zinc/18/88/68/590188868.db2.gz JKVGDZGZUOIHAC-ZYHUDNBSSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000125775573 590188869 /nfs/dbraw/zinc/18/88/69/590188869.db2.gz JKVGDZGZUOIHAC-ZYHUDNBSSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000125775573 590188871 /nfs/dbraw/zinc/18/88/71/590188871.db2.gz JKVGDZGZUOIHAC-ZYHUDNBSSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917827 187254090 /nfs/dbraw/zinc/25/40/90/187254090.db2.gz OLCONYXGDURGFA-NEPJUHHUSA-N 2 2 228.767 2.203 10 30 BEEELP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917827 187254092 /nfs/dbraw/zinc/25/40/92/187254092.db2.gz OLCONYXGDURGFA-NEPJUHHUSA-N 2 2 228.767 2.203 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000126778691 344183829 /nfs/dbraw/zinc/18/38/29/344183829.db2.gz NNNRTYNYHVSUKN-STQMWFEESA-N 2 2 210.365 2.415 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000126778691 344183830 /nfs/dbraw/zinc/18/38/30/344183830.db2.gz NNNRTYNYHVSUKN-STQMWFEESA-N 2 2 210.365 2.415 10 30 BEEELP N#Cc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616624975 351093160 /nfs/dbraw/zinc/09/31/60/351093160.db2.gz TYODTZWPJNVIIT-OAHLLOKOSA-N 2 2 243.354 2.434 10 30 BEEELP N#Cc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616624975 351093162 /nfs/dbraw/zinc/09/31/62/351093162.db2.gz TYODTZWPJNVIIT-OAHLLOKOSA-N 2 2 243.354 2.434 10 30 BEEELP N/C(CCC[N@@H+]1CC[C@H](c2ccccc2)C1)=[NH+]\O ZINC000050599432 181182636 /nfs/dbraw/zinc/18/26/36/181182636.db2.gz YTWOAAAJSRWRJV-ZDUSSCGKSA-N 2 2 247.342 2.003 10 30 BEEELP N/C(CCC[N@H+]1CC[C@H](c2ccccc2)C1)=[NH+]\O ZINC000050599432 181182637 /nfs/dbraw/zinc/18/26/37/181182637.db2.gz YTWOAAAJSRWRJV-ZDUSSCGKSA-N 2 2 247.342 2.003 10 30 BEEELP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187515 134121909 /nfs/dbraw/zinc/12/19/09/134121909.db2.gz DVAYLGNZSJVHAW-ZIAGYGMSSA-N 2 2 247.386 2.096 10 30 BEEELP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187515 134121910 /nfs/dbraw/zinc/12/19/10/134121910.db2.gz DVAYLGNZSJVHAW-ZIAGYGMSSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187515 134121911 /nfs/dbraw/zinc/12/19/11/134121911.db2.gz DVAYLGNZSJVHAW-ZIAGYGMSSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187515 134121912 /nfs/dbraw/zinc/12/19/12/134121912.db2.gz DVAYLGNZSJVHAW-ZIAGYGMSSA-N 2 2 247.386 2.096 10 30 BEEELP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119368470 134226503 /nfs/dbraw/zinc/22/65/03/134226503.db2.gz CJKSRWVIWCOBEI-HOCLYGCPSA-N 2 2 244.382 2.468 10 30 BEEELP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119368470 134226504 /nfs/dbraw/zinc/22/65/04/134226504.db2.gz CJKSRWVIWCOBEI-HOCLYGCPSA-N 2 2 244.382 2.468 10 30 BEEELP CC[NH2+][C@@](C)(C#N)CCCn1c[nH+]c(C)c1C ZINC000051928060 170155486 /nfs/dbraw/zinc/15/54/86/170155486.db2.gz NKNPFIBFXPFKBS-CYBMUJFWSA-N 2 2 234.347 2.172 10 30 BEEELP C=C(Cl)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000125775352 590189000 /nfs/dbraw/zinc/18/90/00/590189000.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000125775352 590189001 /nfs/dbraw/zinc/18/90/01/590189001.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000125775352 590189003 /nfs/dbraw/zinc/18/90/03/590189003.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 2 2 230.783 2.401 10 30 BEEELP C=C(Cl)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000125775352 590189005 /nfs/dbraw/zinc/18/90/05/590189005.db2.gz JKVGDZGZUOIHAC-PWSUYJOCSA-N 2 2 230.783 2.401 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000379964048 538982655 /nfs/dbraw/zinc/98/26/55/538982655.db2.gz YAFZCNKYSIMYDA-AVGNSLFASA-N 2 2 210.365 2.271 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000379964048 538982656 /nfs/dbraw/zinc/98/26/56/538982656.db2.gz YAFZCNKYSIMYDA-AVGNSLFASA-N 2 2 210.365 2.271 10 30 BEEELP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595695613 348305955 /nfs/dbraw/zinc/30/59/55/348305955.db2.gz WZUIZFFQEHNENI-MJBXVCDLSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595695613 348305958 /nfs/dbraw/zinc/30/59/58/348305958.db2.gz WZUIZFFQEHNENI-MJBXVCDLSA-N 2 2 235.375 2.143 10 30 BEEELP N#Cc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616492 350854576 /nfs/dbraw/zinc/85/45/76/350854576.db2.gz QOVNHNMCVBLCSH-AWEZNQCLSA-N 2 2 229.327 2.044 10 30 BEEELP N#Cc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616492 350854579 /nfs/dbraw/zinc/85/45/79/350854579.db2.gz QOVNHNMCVBLCSH-AWEZNQCLSA-N 2 2 229.327 2.044 10 30 BEEELP C=C(C[NH2+]CC)C[N@H+](C)Cc1ccccc1 ZINC000231591192 350875349 /nfs/dbraw/zinc/87/53/49/350875349.db2.gz ORPWGZGNAWHSRH-UHFFFAOYSA-N 2 2 218.344 2.284 10 30 BEEELP C=C(C[NH2+]CC)C[N@@H+](C)Cc1ccccc1 ZINC000231591192 350875352 /nfs/dbraw/zinc/87/53/52/350875352.db2.gz ORPWGZGNAWHSRH-UHFFFAOYSA-N 2 2 218.344 2.284 10 30 BEEELP N#Cc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616627301 351107992 /nfs/dbraw/zinc/10/79/92/351107992.db2.gz HKMGBONUZCPNKE-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616627301 351107994 /nfs/dbraw/zinc/10/79/94/351107994.db2.gz HKMGBONUZCPNKE-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000616625690 351094885 /nfs/dbraw/zinc/09/48/85/351094885.db2.gz TYODTZWPJNVIIT-HNNXBMFYSA-N 2 2 243.354 2.434 10 30 BEEELP N#Cc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000616625690 351094887 /nfs/dbraw/zinc/09/48/87/351094887.db2.gz TYODTZWPJNVIIT-HNNXBMFYSA-N 2 2 243.354 2.434 10 30 BEEELP N#Cc1cccc([C@H]2CCCC[N@@H+](CC[NH3+])C2)c1 ZINC000616627503 351095485 /nfs/dbraw/zinc/09/54/85/351095485.db2.gz IQPRYCUJSJHOGZ-HNNXBMFYSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@H]2CCCC[N@H+](CC[NH3+])C2)c1 ZINC000616627503 351095486 /nfs/dbraw/zinc/09/54/86/351095486.db2.gz IQPRYCUJSJHOGZ-HNNXBMFYSA-N 2 2 243.354 2.086 10 30 BEEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042859336 188043253 /nfs/dbraw/zinc/04/32/53/188043253.db2.gz PMMYONOQKVJSPL-GJZGRUSLSA-N 2 2 248.414 2.500 10 30 BEEELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054828406 188300608 /nfs/dbraw/zinc/30/06/08/188300608.db2.gz BGHFQWMGCHXFTA-OLZOCXBDSA-N 2 2 246.358 2.025 10 30 BEEELP C=C(Cl)C[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748191 188319315 /nfs/dbraw/zinc/31/93/15/188319315.db2.gz QMWGZFNXJHPIFZ-FOSCPWQOSA-N 2 2 228.767 2.344 10 30 BEEELP C=C(Cl)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748191 188319316 /nfs/dbraw/zinc/31/93/16/188319316.db2.gz QMWGZFNXJHPIFZ-FOSCPWQOSA-N 2 2 228.767 2.344 10 30 BEEELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054827119 188354973 /nfs/dbraw/zinc/35/49/73/188354973.db2.gz KHEINISDYGRLNC-HZSPNIEDSA-N 2 2 237.391 2.245 10 30 BEEELP C/[NH+]=C1\CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000584605274 358264581 /nfs/dbraw/zinc/26/45/81/358264581.db2.gz ICTYEVZKPMCCKA-FQZGENGWSA-N 2 2 214.312 2.450 10 30 BEEELP C=CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000130747964 368140061 /nfs/dbraw/zinc/14/00/61/368140061.db2.gz SCSVYTFEJLPBRN-ZFWWWQNUSA-N 2 2 230.355 2.283 10 30 BEEELP C=CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000130747964 368140068 /nfs/dbraw/zinc/14/00/68/368140068.db2.gz SCSVYTFEJLPBRN-ZFWWWQNUSA-N 2 2 230.355 2.283 10 30 BEEELP C[N@H+](Cc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1 ZINC000226465979 371524334 /nfs/dbraw/zinc/52/43/34/371524334.db2.gz QQQONNCKOBJGIB-OAHLLOKOSA-N 2 2 243.354 2.132 10 30 BEEELP C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1 ZINC000226465979 371524338 /nfs/dbraw/zinc/52/43/38/371524338.db2.gz QQQONNCKOBJGIB-OAHLLOKOSA-N 2 2 243.354 2.132 10 30 BEEELP CCC[NH2+][C@H](C#N)CCn1cc[nH+]c1C(C)C ZINC000062439815 169283909 /nfs/dbraw/zinc/28/39/09/169283909.db2.gz NNIDMYVIFZCCMV-LBPRGKRZSA-N 2 2 234.347 2.288 10 30 BEEELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(C#N)cc1 ZINC000396648278 385723872 /nfs/dbraw/zinc/72/38/72/385723872.db2.gz LBPBXLSMQCXEBU-ZOWXZIJZSA-N 2 2 243.354 2.349 10 30 BEEELP C#CC[NH2+][C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037184911 166191123 /nfs/dbraw/zinc/19/11/23/166191123.db2.gz BDDPYNGHASADON-NSHDSACASA-N 2 2 202.301 2.291 10 30 BEEELP C[C@@H]1CCCC[C@H]1[N@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607869 176086787 /nfs/dbraw/zinc/08/67/87/176086787.db2.gz ZXZSVHAIGOSCFL-VXGBXAGGSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607869 176086789 /nfs/dbraw/zinc/08/67/89/176086789.db2.gz ZXZSVHAIGOSCFL-VXGBXAGGSA-N 2 2 241.379 2.414 10 30 BEEELP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119368222 534670044 /nfs/dbraw/zinc/67/00/44/534670044.db2.gz CJKSRWVIWCOBEI-GOEBONIOSA-N 2 2 244.382 2.468 10 30 BEEELP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119368222 534670045 /nfs/dbraw/zinc/67/00/45/534670045.db2.gz CJKSRWVIWCOBEI-GOEBONIOSA-N 2 2 244.382 2.468 10 30 BEEELP C=CC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897412 136363710 /nfs/dbraw/zinc/36/37/10/136363710.db2.gz PHBPVKYYFGAXQC-GFCCVEGCSA-N 2 2 219.332 2.268 10 30 BEEELP C=CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897412 136363711 /nfs/dbraw/zinc/36/37/11/136363711.db2.gz PHBPVKYYFGAXQC-GFCCVEGCSA-N 2 2 219.332 2.268 10 30 BEEELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511868 352621327 /nfs/dbraw/zinc/62/13/27/352621327.db2.gz FEMJQOBZTSNDSC-IUODEOHRSA-N 2 2 243.354 2.303 10 30 BEEELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000389511868 352621331 /nfs/dbraw/zinc/62/13/31/352621331.db2.gz FEMJQOBZTSNDSC-IUODEOHRSA-N 2 2 243.354 2.303 10 30 BEEELP CC(C)[N@H+](CCC/C(N)=[NH+]/O)Cc1ccccc1 ZINC000019477521 188349369 /nfs/dbraw/zinc/34/93/69/188349369.db2.gz KOYIRQZUDZXAOT-UHFFFAOYSA-N 2 2 249.358 2.424 10 30 BEEELP CC(C)[N@@H+](CCC/C(N)=[NH+]/O)Cc1ccccc1 ZINC000019477521 188349370 /nfs/dbraw/zinc/34/93/70/188349370.db2.gz KOYIRQZUDZXAOT-UHFFFAOYSA-N 2 2 249.358 2.424 10 30 BEEELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139519 355730630 /nfs/dbraw/zinc/73/06/30/355730630.db2.gz GSHJLICXKNGEQR-GFCCVEGCSA-N 2 2 223.364 2.000 10 30 BEEELP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139519 355730631 /nfs/dbraw/zinc/73/06/31/355730631.db2.gz GSHJLICXKNGEQR-GFCCVEGCSA-N 2 2 223.364 2.000 10 30 BEEELP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122276 /nfs/dbraw/zinc/12/22/76/134122276.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 2 2 247.386 2.096 10 30 BEEELP C[N@H+]1CCC[C@@H]2C[NH+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122277 /nfs/dbraw/zinc/12/22/77/134122277.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@@H]2C[N@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122278 /nfs/dbraw/zinc/12/22/78/134122278.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187513 134122279 /nfs/dbraw/zinc/12/22/79/134122279.db2.gz DVAYLGNZSJVHAW-KGLIPLIRSA-N 2 2 247.386 2.096 10 30 BEEELP C#CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132199383 358710840 /nfs/dbraw/zinc/71/08/40/358710840.db2.gz BRFICHKWKUMQDF-ZDUSSCGKSA-N 2 2 243.354 2.052 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054824026 358876139 /nfs/dbraw/zinc/87/61/39/358876139.db2.gz CINJQOJLKPJZCK-STQMWFEESA-N 2 2 223.364 2.000 10 30 BEEELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671885 359757018 /nfs/dbraw/zinc/75/70/18/359757018.db2.gz AQLOWLIASOOMMM-WFASDCNBSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671885 359757021 /nfs/dbraw/zinc/75/70/21/359757021.db2.gz AQLOWLIASOOMMM-WFASDCNBSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CC[N@@H+]1C ZINC000252134598 369999237 /nfs/dbraw/zinc/99/92/37/369999237.db2.gz MKMPJRFLRXITTR-XJFOESAGSA-N 2 2 235.375 2.141 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CC[N@H+]1C ZINC000252134598 369999240 /nfs/dbraw/zinc/99/92/40/369999240.db2.gz MKMPJRFLRXITTR-XJFOESAGSA-N 2 2 235.375 2.141 10 30 BEEELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671883 373589452 /nfs/dbraw/zinc/58/94/52/373589452.db2.gz AQLOWLIASOOMMM-SWLSCSKDSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000040671883 373589462 /nfs/dbraw/zinc/58/94/62/373589462.db2.gz AQLOWLIASOOMMM-SWLSCSKDSA-N 2 2 243.354 2.303 10 30 BEEELP Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000157410897 384436858 /nfs/dbraw/zinc/43/68/58/384436858.db2.gz NHNDHSXPDXKQGN-JTQLQIEISA-N 2 2 246.358 2.322 10 30 BEEELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C#N)cc1 ZINC000396648277 385723580 /nfs/dbraw/zinc/72/35/80/385723580.db2.gz LBPBXLSMQCXEBU-YWPYICTPSA-N 2 2 243.354 2.349 10 30 BEEELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036293 388704980 /nfs/dbraw/zinc/70/49/80/388704980.db2.gz SSCKGVQSOKTNKF-RDBSUJKOSA-N 2 2 235.375 2.143 10 30 BEEELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036293 388704983 /nfs/dbraw/zinc/70/49/83/388704983.db2.gz SSCKGVQSOKTNKF-RDBSUJKOSA-N 2 2 235.375 2.143 10 30 BEEELP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000061891097 398108164 /nfs/dbraw/zinc/10/81/64/398108164.db2.gz HIXSZBURWSHQLG-GXTWGEPZSA-N 2 2 235.375 2.141 10 30 BEEELP CC[NH2+][C@](C)(C#N)CCCn1c[nH+]c(C)c1C ZINC000051928059 170169468 /nfs/dbraw/zinc/16/94/68/170169468.db2.gz NKNPFIBFXPFKBS-ZDUSSCGKSA-N 2 2 234.347 2.172 10 30 BEEELP C=CCOc1ccccc1C[NH2+]CCC[NH+](C)C ZINC000034991082 358452009 /nfs/dbraw/zinc/45/20/09/358452009.db2.gz MQFMMFZWAADLHI-UHFFFAOYSA-N 2 2 248.370 2.293 10 30 BEEELP C=CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904512 347970033 /nfs/dbraw/zinc/97/00/33/347970033.db2.gz DTDVSPIWKNCVRR-HNNXBMFYSA-N 2 2 230.355 2.427 10 30 BEEELP C=CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904512 347970036 /nfs/dbraw/zinc/97/00/36/347970036.db2.gz DTDVSPIWKNCVRR-HNNXBMFYSA-N 2 2 230.355 2.427 10 30 BEEELP N#Cc1ccccc1[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616604971 350794213 /nfs/dbraw/zinc/79/42/13/350794213.db2.gz IAQCNIZTDFERKR-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccccc1[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616604971 350794215 /nfs/dbraw/zinc/79/42/15/350794215.db2.gz IAQCNIZTDFERKR-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000396648276 385724632 /nfs/dbraw/zinc/72/46/32/385724632.db2.gz LBPBXLSMQCXEBU-SLEUVZQESA-N 2 2 243.354 2.349 10 30 BEEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354619 388814772 /nfs/dbraw/zinc/81/47/72/388814772.db2.gz FBSXBURDDIZQET-TUVASFSCSA-N 2 2 249.402 2.387 10 30 BEEELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354619 388814774 /nfs/dbraw/zinc/81/47/74/388814774.db2.gz FBSXBURDDIZQET-TUVASFSCSA-N 2 2 249.402 2.387 10 30 BEEELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335771 170013510 /nfs/dbraw/zinc/01/35/10/170013510.db2.gz JBWPLKKOTYWYJT-SWLSCSKDSA-N 2 2 243.354 2.303 10 30 BEEELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328335771 170013511 /nfs/dbraw/zinc/01/35/11/170013511.db2.gz JBWPLKKOTYWYJT-SWLSCSKDSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607867 176078405 /nfs/dbraw/zinc/07/84/05/176078405.db2.gz ZXZSVHAIGOSCFL-NEPJUHHUSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607867 176078406 /nfs/dbraw/zinc/07/84/06/176078406.db2.gz ZXZSVHAIGOSCFL-NEPJUHHUSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000047934889 176194543 /nfs/dbraw/zinc/19/45/43/176194543.db2.gz UZTFKNPHQOZHCI-VNHYZAJKSA-N 2 2 249.402 2.341 10 30 BEEELP C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000047934889 176194545 /nfs/dbraw/zinc/19/45/45/176194545.db2.gz UZTFKNPHQOZHCI-VNHYZAJKSA-N 2 2 249.402 2.341 10 30 BEEELP CC[NH+](CC)CCC[NH2+]CC#Cc1ccccc1 ZINC000051814044 636025612 /nfs/dbraw/zinc/02/56/12/636025612.db2.gz AVPPYZIIJBQYFL-UHFFFAOYSA-N 2 2 244.382 2.360 10 30 BEEELP C=CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000230659120 343478382 /nfs/dbraw/zinc/47/83/82/343478382.db2.gz NNNRTYNYHVSUKN-OLZOCXBDSA-N 2 2 210.365 2.415 10 30 BEEELP C=CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000230659120 343478383 /nfs/dbraw/zinc/47/83/83/343478383.db2.gz NNNRTYNYHVSUKN-OLZOCXBDSA-N 2 2 210.365 2.415 10 30 BEEELP C#CC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000042859327 187354395 /nfs/dbraw/zinc/35/43/95/187354395.db2.gz PMMYONOQKVJSPL-HUUCEWRRSA-N 2 2 248.414 2.500 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157943087 344127880 /nfs/dbraw/zinc/12/78/80/344127880.db2.gz GHFIOECOCUJDQX-YJNKXOJESA-N 2 2 247.386 2.285 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157943087 344127882 /nfs/dbraw/zinc/12/78/82/344127882.db2.gz GHFIOECOCUJDQX-YJNKXOJESA-N 2 2 247.386 2.285 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000126778945 344183862 /nfs/dbraw/zinc/18/38/62/344183862.db2.gz NNNRTYNYHVSUKN-QWHCGFSZSA-N 2 2 210.365 2.415 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000126778945 344183863 /nfs/dbraw/zinc/18/38/63/344183863.db2.gz NNNRTYNYHVSUKN-QWHCGFSZSA-N 2 2 210.365 2.415 10 30 BEEELP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000395702699 344556261 /nfs/dbraw/zinc/55/62/61/344556261.db2.gz BQMYMHDSUHGPJA-OCCSQVGLSA-N 2 2 235.375 2.143 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CC[N@@H+]1C ZINC000158154605 344556291 /nfs/dbraw/zinc/55/62/91/344556291.db2.gz MKMPJRFLRXITTR-AAVRWANBSA-N 2 2 235.375 2.141 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CC[N@H+]1C ZINC000158154605 344556294 /nfs/dbraw/zinc/55/62/94/344556294.db2.gz MKMPJRFLRXITTR-AAVRWANBSA-N 2 2 235.375 2.141 10 30 BEEELP CC#CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000155751330 187296430 /nfs/dbraw/zinc/29/64/30/187296430.db2.gz IPDHSEDZIBWCDH-CQSZACIVSA-N 2 2 243.354 2.229 10 30 BEEELP CC#CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000155751330 187296432 /nfs/dbraw/zinc/29/64/32/187296432.db2.gz IPDHSEDZIBWCDH-CQSZACIVSA-N 2 2 243.354 2.229 10 30 BEEELP N#Cc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616601228 350781839 /nfs/dbraw/zinc/78/18/39/350781839.db2.gz MNQIRHCWOUXGTG-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616601228 350781841 /nfs/dbraw/zinc/78/18/41/350781841.db2.gz MNQIRHCWOUXGTG-CQSZACIVSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616630453 351102379 /nfs/dbraw/zinc/10/23/79/351102379.db2.gz YIBVNWVTFZTQQV-ZDUSSCGKSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616630453 351102381 /nfs/dbraw/zinc/10/23/81/351102381.db2.gz YIBVNWVTFZTQQV-ZDUSSCGKSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@@H]2CCCC[N@@H+](CC[NH3+])C2)c1 ZINC000616628281 351097665 /nfs/dbraw/zinc/09/76/65/351097665.db2.gz IQPRYCUJSJHOGZ-OAHLLOKOSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1cccc([C@@H]2CCCC[N@H+](CC[NH3+])C2)c1 ZINC000616628281 351097668 /nfs/dbraw/zinc/09/76/68/351097668.db2.gz IQPRYCUJSJHOGZ-OAHLLOKOSA-N 2 2 243.354 2.086 10 30 BEEELP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549109 135187947 /nfs/dbraw/zinc/18/79/47/135187947.db2.gz GZMZCMJNYMOFDR-WFASDCNBSA-N 2 2 243.354 2.117 10 30 BEEELP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549109 135187948 /nfs/dbraw/zinc/18/79/48/135187948.db2.gz GZMZCMJNYMOFDR-WFASDCNBSA-N 2 2 243.354 2.117 10 30 BEEELP C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000047934885 176219139 /nfs/dbraw/zinc/21/91/39/176219139.db2.gz UZTFKNPHQOZHCI-UMVBOHGHSA-N 2 2 249.402 2.341 10 30 BEEELP C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000047934885 176219140 /nfs/dbraw/zinc/21/91/40/176219140.db2.gz UZTFKNPHQOZHCI-UMVBOHGHSA-N 2 2 249.402 2.341 10 30 BEEELP CCC(C=O)(CC)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000051176031 168311864 /nfs/dbraw/zinc/31/18/64/168311864.db2.gz WOVMPCSOYSBCIR-UHFFFAOYSA-N 2 2 240.391 2.018 10 30 BEEELP CCC(C=O)(CC)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000051176031 168311867 /nfs/dbraw/zinc/31/18/67/168311867.db2.gz WOVMPCSOYSBCIR-UHFFFAOYSA-N 2 2 240.391 2.018 10 30 BEEELP Cc1cc(NC[C@H]2CCC[N@H+]2C)c(C#N)c(C)[nH+]1 ZINC000160542870 178170050 /nfs/dbraw/zinc/17/00/50/178170050.db2.gz GZYCIGCWRAPYEN-GFCCVEGCSA-N 2 2 244.342 2.076 10 30 BEEELP Cc1cc(NC[C@H]2CCC[N@@H+]2C)c(C#N)c(C)[nH+]1 ZINC000160542870 178170052 /nfs/dbraw/zinc/17/00/52/178170052.db2.gz GZYCIGCWRAPYEN-GFCCVEGCSA-N 2 2 244.342 2.076 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000379964050 538982487 /nfs/dbraw/zinc/98/24/87/538982487.db2.gz YAFZCNKYSIMYDA-FRRDWIJNSA-N 2 2 210.365 2.271 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000379964050 538982488 /nfs/dbraw/zinc/98/24/88/538982488.db2.gz YAFZCNKYSIMYDA-FRRDWIJNSA-N 2 2 210.365 2.271 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075047 343534473 /nfs/dbraw/zinc/53/44/73/343534473.db2.gz GHFIOECOCUJDQX-XGUBFFRZSA-N 2 2 247.386 2.285 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075047 343534476 /nfs/dbraw/zinc/53/44/76/343534476.db2.gz GHFIOECOCUJDQX-XGUBFFRZSA-N 2 2 247.386 2.285 10 30 BEEELP C=C(C)C[N@@H+](CC)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052423383 187358702 /nfs/dbraw/zinc/35/87/02/187358702.db2.gz YDPCMZWIPSEOEX-UHFFFAOYSA-N 2 2 249.358 2.325 10 30 BEEELP C=C(C)C[N@H+](CC)Cc1cc(C[NH2+]C2CC2)no1 ZINC000052423383 187358703 /nfs/dbraw/zinc/35/87/03/187358703.db2.gz YDPCMZWIPSEOEX-UHFFFAOYSA-N 2 2 249.358 2.325 10 30 BEEELP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000395702698 344555937 /nfs/dbraw/zinc/55/59/37/344555937.db2.gz BQMYMHDSUHGPJA-JSGCOSHPSA-N 2 2 235.375 2.143 10 30 BEEELP CC#CCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155557723 187296160 /nfs/dbraw/zinc/29/61/60/187296160.db2.gz TYKRZEJZLCZWFK-AWEZNQCLSA-N 2 2 245.370 2.496 10 30 BEEELP CC#CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155557723 187296161 /nfs/dbraw/zinc/29/61/61/187296161.db2.gz TYKRZEJZLCZWFK-AWEZNQCLSA-N 2 2 245.370 2.496 10 30 BEEELP N#Cc1cccc([C@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616614807 350839947 /nfs/dbraw/zinc/83/99/47/350839947.db2.gz MQIBOLBAZLXMOZ-CQSZACIVSA-N 2 2 229.327 2.044 10 30 BEEELP N#Cc1cccc([C@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616614807 350839953 /nfs/dbraw/zinc/83/99/53/350839953.db2.gz MQIBOLBAZLXMOZ-CQSZACIVSA-N 2 2 229.327 2.044 10 30 BEEELP C=C(C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645003 188251708 /nfs/dbraw/zinc/25/17/08/188251708.db2.gz HTFZDCVTBXHTRN-CYBMUJFWSA-N 2 2 231.343 2.392 10 30 BEEELP C=C(C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645003 188251710 /nfs/dbraw/zinc/25/17/10/188251710.db2.gz HTFZDCVTBXHTRN-CYBMUJFWSA-N 2 2 231.343 2.392 10 30 BEEELP CC(C)[N@H+](CCC#N)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042529964 188293975 /nfs/dbraw/zinc/29/39/75/188293975.db2.gz COEPQKUSUXVNMS-QWHCGFSZSA-N 2 2 223.364 2.270 10 30 BEEELP CC(C)[N@@H+](CCC#N)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042529964 188293977 /nfs/dbraw/zinc/29/39/77/188293977.db2.gz COEPQKUSUXVNMS-QWHCGFSZSA-N 2 2 223.364 2.270 10 30 BEEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000230659116 363317487 /nfs/dbraw/zinc/31/74/87/363317487.db2.gz NNNRTYNYHVSUKN-CHWSQXEVSA-N 2 2 210.365 2.415 10 30 BEEELP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000230659116 363317494 /nfs/dbraw/zinc/31/74/94/363317494.db2.gz NNNRTYNYHVSUKN-CHWSQXEVSA-N 2 2 210.365 2.415 10 30 BEEELP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139520 355730652 /nfs/dbraw/zinc/73/06/52/355730652.db2.gz GSHJLICXKNGEQR-LBPRGKRZSA-N 2 2 223.364 2.000 10 30 BEEELP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389139520 355730653 /nfs/dbraw/zinc/73/06/53/355730653.db2.gz GSHJLICXKNGEQR-LBPRGKRZSA-N 2 2 223.364 2.000 10 30 BEEELP N#CC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCC1 ZINC000333703761 134128352 /nfs/dbraw/zinc/12/83/52/134128352.db2.gz OPBFWTMJBJYTTA-UHFFFAOYSA-N 2 2 244.342 2.283 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054824023 358876274 /nfs/dbraw/zinc/87/62/74/358876274.db2.gz CINJQOJLKPJZCK-CHWSQXEVSA-N 2 2 223.364 2.000 10 30 BEEELP Cc1cc(NCC(C)(C)[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000156568118 371453390 /nfs/dbraw/zinc/45/33/90/371453390.db2.gz HHDJWPKRBZVRPL-UHFFFAOYSA-N 2 2 246.358 2.322 10 30 BEEELP C[N@H+](Cc1ccccc1C#N)[C@H]1CCC[NH2+]CC1 ZINC000226465983 371524399 /nfs/dbraw/zinc/52/43/99/371524399.db2.gz QQQONNCKOBJGIB-HNNXBMFYSA-N 2 2 243.354 2.132 10 30 BEEELP C[N@@H+](Cc1ccccc1C#N)[C@H]1CCC[NH2+]CC1 ZINC000226465983 371524402 /nfs/dbraw/zinc/52/44/02/371524402.db2.gz QQQONNCKOBJGIB-HNNXBMFYSA-N 2 2 243.354 2.132 10 30 BEEELP CC#CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000155949544 384783903 /nfs/dbraw/zinc/78/39/03/384783903.db2.gz QVZNABDINHATLJ-CQSZACIVSA-N 2 2 231.343 2.069 10 30 BEEELP CC#CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000155949544 384783910 /nfs/dbraw/zinc/78/39/10/384783910.db2.gz QVZNABDINHATLJ-CQSZACIVSA-N 2 2 231.343 2.069 10 30 BEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000105896891 384888984 /nfs/dbraw/zinc/88/89/84/384888984.db2.gz QWBPTNYTEHZMDX-CYBMUJFWSA-N 2 2 246.358 2.386 10 30 BEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000105896891 384888989 /nfs/dbraw/zinc/88/89/89/384888989.db2.gz QWBPTNYTEHZMDX-CYBMUJFWSA-N 2 2 246.358 2.386 10 30 BEEELP N#CCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515804 387923242 /nfs/dbraw/zinc/92/32/42/387923242.db2.gz XWGPZBZHGRMUBM-CYBMUJFWSA-N 2 2 244.342 2.119 10 30 BEEELP N#CCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515804 387923246 /nfs/dbraw/zinc/92/32/46/387923246.db2.gz XWGPZBZHGRMUBM-CYBMUJFWSA-N 2 2 244.342 2.119 10 30 BEEELP N#CCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515803 387923552 /nfs/dbraw/zinc/92/35/52/387923552.db2.gz XWGPZBZHGRMUBM-ZDUSSCGKSA-N 2 2 244.342 2.119 10 30 BEEELP N#CCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515803 387923554 /nfs/dbraw/zinc/92/35/54/387923554.db2.gz XWGPZBZHGRMUBM-ZDUSSCGKSA-N 2 2 244.342 2.119 10 30 BEEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354617 388814754 /nfs/dbraw/zinc/81/47/54/388814754.db2.gz FBSXBURDDIZQET-KBXIAJHMSA-N 2 2 249.402 2.387 10 30 BEEELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000253354617 388814757 /nfs/dbraw/zinc/81/47/57/388814757.db2.gz FBSXBURDDIZQET-KBXIAJHMSA-N 2 2 249.402 2.387 10 30 BEEELP C#CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672555 322828008 /nfs/dbraw/zinc/82/80/08/322828008.db2.gz LJAUCTNBNKITGM-GFCCVEGCSA-N 2 2 225.295 2.156 10 30 BEEELP CCNC(=[NH2+])Nc1ccc([NH+]2CCCCC2)cc1 ZINC000062997540 132388337 /nfs/dbraw/zinc/38/83/37/132388337.db2.gz DGVRZMVATOHFQD-UHFFFAOYSA-N 2 2 246.358 2.423 10 30 BEEELP C[C@@H]1CCC[C@H]([N@H+](C)CCCC/C(N)=[NH+]\O)C1 ZINC000049580296 176140707 /nfs/dbraw/zinc/14/07/07/176140707.db2.gz FUHMTBWFMYQPQQ-NEPJUHHUSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@@H]1CCC[C@H]([N@@H+](C)CCCC/C(N)=[NH+]\O)C1 ZINC000049580296 176140710 /nfs/dbraw/zinc/14/07/10/176140710.db2.gz FUHMTBWFMYQPQQ-NEPJUHHUSA-N 2 2 241.379 2.414 10 30 BEEELP N#CCCCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757134207 582510231 /nfs/dbraw/zinc/51/02/31/582510231.db2.gz WSMXFOMHKRNHTA-HNNXBMFYSA-N 2 2 247.386 2.240 10 30 BEEELP N#CCCCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757134207 582510232 /nfs/dbraw/zinc/51/02/32/582510232.db2.gz WSMXFOMHKRNHTA-HNNXBMFYSA-N 2 2 247.386 2.240 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000379964045 538982725 /nfs/dbraw/zinc/98/27/25/538982725.db2.gz YAFZCNKYSIMYDA-AGIUHOORSA-N 2 2 210.365 2.271 10 30 BEEELP C=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000379964045 538982726 /nfs/dbraw/zinc/98/27/26/538982726.db2.gz YAFZCNKYSIMYDA-AGIUHOORSA-N 2 2 210.365 2.271 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251075044 343534544 /nfs/dbraw/zinc/53/45/44/343534544.db2.gz GHFIOECOCUJDQX-AJNGGQMLSA-N 2 2 247.386 2.285 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251075044 343534545 /nfs/dbraw/zinc/53/45/45/343534545.db2.gz GHFIOECOCUJDQX-AJNGGQMLSA-N 2 2 247.386 2.285 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054824028 344457704 /nfs/dbraw/zinc/45/77/04/344457704.db2.gz KFVFKGHIRQHZMZ-KGLIPLIRSA-N 2 2 237.391 2.390 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CC[N@@H+]1C ZINC000252134596 369999487 /nfs/dbraw/zinc/99/94/87/369999487.db2.gz MKMPJRFLRXITTR-SYQHCUMBSA-N 2 2 235.375 2.141 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CC[N@H+]1C ZINC000252134596 369999489 /nfs/dbraw/zinc/99/94/89/369999489.db2.gz MKMPJRFLRXITTR-SYQHCUMBSA-N 2 2 235.375 2.141 10 30 BEEELP C=C(C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645008 387828057 /nfs/dbraw/zinc/82/80/57/387828057.db2.gz HTFZDCVTBXHTRN-ZDUSSCGKSA-N 2 2 231.343 2.392 10 30 BEEELP C=C(C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645008 387828063 /nfs/dbraw/zinc/82/80/63/387828063.db2.gz HTFZDCVTBXHTRN-ZDUSSCGKSA-N 2 2 231.343 2.392 10 30 BEEELP C=CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515948 388165871 /nfs/dbraw/zinc/16/58/71/388165871.db2.gz GGNDUPICOHFHTF-GFCCVEGCSA-N 2 2 217.316 2.001 10 30 BEEELP C=CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515948 388165874 /nfs/dbraw/zinc/16/58/74/388165874.db2.gz GGNDUPICOHFHTF-GFCCVEGCSA-N 2 2 217.316 2.001 10 30 BEEELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249036288 388704940 /nfs/dbraw/zinc/70/49/40/388704940.db2.gz SSCKGVQSOKTNKF-IHRRRGAJSA-N 2 2 235.375 2.143 10 30 BEEELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249036288 388704943 /nfs/dbraw/zinc/70/49/43/388704943.db2.gz SSCKGVQSOKTNKF-IHRRRGAJSA-N 2 2 235.375 2.143 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054824024 134772521 /nfs/dbraw/zinc/77/25/21/134772521.db2.gz CINJQOJLKPJZCK-OLZOCXBDSA-N 2 2 223.364 2.000 10 30 BEEELP C(#Cc1ccccc1)C[NH2+]CCC[NH+]1CCCC1 ZINC000062072651 1172733563 /nfs/dbraw/zinc/73/35/63/1172733563.db2.gz JSACBONPVXRYCH-UHFFFAOYSA-N 2 2 242.366 2.114 10 30 BEEELP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061891095 398107902 /nfs/dbraw/zinc/10/79/02/398107902.db2.gz HIXSZBURWSHQLG-TZMCWYRMSA-N 2 2 235.375 2.141 10 30 BEEELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336264825 173037993 /nfs/dbraw/zinc/03/79/93/173037993.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 2 2 247.386 2.098 10 30 BEEELP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336264825 173037996 /nfs/dbraw/zinc/03/79/96/173037996.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 2 2 247.386 2.098 10 30 BEEELP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(C#N)CCC3)C2)C1 ZINC000336264825 173037999 /nfs/dbraw/zinc/03/79/99/173037999.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 2 2 247.386 2.098 10 30 BEEELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(C#N)CCC3)C2)C1 ZINC000336264825 173038000 /nfs/dbraw/zinc/03/80/00/173038000.db2.gz POIMJJHQRMCKBP-OAHLLOKOSA-N 2 2 247.386 2.098 10 30 BEEELP Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)c(C#N)c[nH+]1 ZINC000398999704 398247844 /nfs/dbraw/zinc/24/78/44/398247844.db2.gz RMUBFKCFTLOQKD-ZDUSSCGKSA-N 2 2 246.358 2.071 10 30 BEEELP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000395702700 344555784 /nfs/dbraw/zinc/55/57/84/344555784.db2.gz BQMYMHDSUHGPJA-TZMCWYRMSA-N 2 2 235.375 2.143 10 30 BEEELP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000395702697 344556207 /nfs/dbraw/zinc/55/62/07/344556207.db2.gz BQMYMHDSUHGPJA-GXTWGEPZSA-N 2 2 235.375 2.143 10 30 BEEELP N#Cc1cccc([C@@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616616402 350854896 /nfs/dbraw/zinc/85/48/96/350854896.db2.gz MQIBOLBAZLXMOZ-AWEZNQCLSA-N 2 2 229.327 2.044 10 30 BEEELP N#Cc1cccc([C@@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616616402 350854900 /nfs/dbraw/zinc/85/49/00/350854900.db2.gz MQIBOLBAZLXMOZ-AWEZNQCLSA-N 2 2 229.327 2.044 10 30 BEEELP N/C(CCC[N@@H+]1CC[C@@H](c2ccccc2)C1)=[NH+]\O ZINC000050599430 181182684 /nfs/dbraw/zinc/18/26/84/181182684.db2.gz YTWOAAAJSRWRJV-CYBMUJFWSA-N 2 2 247.342 2.003 10 30 BEEELP N/C(CCC[N@H+]1CC[C@@H](c2ccccc2)C1)=[NH+]\O ZINC000050599430 181182685 /nfs/dbraw/zinc/18/26/85/181182685.db2.gz YTWOAAAJSRWRJV-CYBMUJFWSA-N 2 2 247.342 2.003 10 30 BEEELP CC#CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155557612 384734573 /nfs/dbraw/zinc/73/45/73/384734573.db2.gz TYKRZEJZLCZWFK-CQSZACIVSA-N 2 2 245.370 2.496 10 30 BEEELP CC#CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155557612 384734581 /nfs/dbraw/zinc/73/45/81/384734581.db2.gz TYKRZEJZLCZWFK-CQSZACIVSA-N 2 2 245.370 2.496 10 30 BEEELP CC#CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000155751457 384754433 /nfs/dbraw/zinc/75/44/33/384754433.db2.gz IPDHSEDZIBWCDH-AWEZNQCLSA-N 2 2 243.354 2.229 10 30 BEEELP CC#CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000155751457 384754437 /nfs/dbraw/zinc/75/44/37/384754437.db2.gz IPDHSEDZIBWCDH-AWEZNQCLSA-N 2 2 243.354 2.229 10 30 BEEELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036291 388704816 /nfs/dbraw/zinc/70/48/16/388704816.db2.gz SSCKGVQSOKTNKF-MCIONIFRSA-N 2 2 235.375 2.143 10 30 BEEELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036291 388704819 /nfs/dbraw/zinc/70/48/19/388704819.db2.gz SSCKGVQSOKTNKF-MCIONIFRSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121956 /nfs/dbraw/zinc/12/19/56/134121956.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 2 2 247.386 2.096 10 30 BEEELP C[N@H+]1CCC[C@H]2C[NH+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121957 /nfs/dbraw/zinc/12/19/57/134121957.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@H]2C[N@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121958 /nfs/dbraw/zinc/12/19/58/134121958.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C#N)CCC3)CC[C@@H]21 ZINC000336187512 134121959 /nfs/dbraw/zinc/12/19/59/134121959.db2.gz DVAYLGNZSJVHAW-KBPBESRZSA-N 2 2 247.386 2.096 10 30 BEEELP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000061891098 398108107 /nfs/dbraw/zinc/10/81/07/398108107.db2.gz HIXSZBURWSHQLG-JSGCOSHPSA-N 2 2 235.375 2.141 10 30 BEEELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000049557705 175670530 /nfs/dbraw/zinc/67/05/30/175670530.db2.gz WQLOUXIHZMEBAD-NSHDSACASA-N 2 2 249.333 2.127 10 30 BEEELP C[C@H]1CCCC[C@@H]1[N@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607868 177081326 /nfs/dbraw/zinc/08/13/26/177081326.db2.gz ZXZSVHAIGOSCFL-RYUDHWBXSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607868 177081328 /nfs/dbraw/zinc/08/13/28/177081328.db2.gz ZXZSVHAIGOSCFL-RYUDHWBXSA-N 2 2 241.379 2.414 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054824027 344457478 /nfs/dbraw/zinc/45/74/78/344457478.db2.gz KFVFKGHIRQHZMZ-ZIAGYGMSSA-N 2 2 237.391 2.390 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054824030 344457682 /nfs/dbraw/zinc/45/76/82/344457682.db2.gz KFVFKGHIRQHZMZ-KBPBESRZSA-N 2 2 237.391 2.390 10 30 BEEELP C=CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904511 347969784 /nfs/dbraw/zinc/96/97/84/347969784.db2.gz DTDVSPIWKNCVRR-OAHLLOKOSA-N 2 2 230.355 2.427 10 30 BEEELP C=CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904511 347969787 /nfs/dbraw/zinc/96/97/87/347969787.db2.gz DTDVSPIWKNCVRR-OAHLLOKOSA-N 2 2 230.355 2.427 10 30 BEEELP C#CCC[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306779395 351019198 /nfs/dbraw/zinc/01/91/98/351019198.db2.gz WBUYZKFKFKOLHK-AWEZNQCLSA-N 2 2 230.355 2.120 10 30 BEEELP C#CCC[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000306779395 351019201 /nfs/dbraw/zinc/01/92/01/351019201.db2.gz WBUYZKFKFKOLHK-AWEZNQCLSA-N 2 2 230.355 2.120 10 30 BEEELP C=CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285934 353741795 /nfs/dbraw/zinc/74/17/95/353741795.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285934 353741797 /nfs/dbraw/zinc/74/17/97/353741797.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285934 353741799 /nfs/dbraw/zinc/74/17/99/353741799.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285934 353741801 /nfs/dbraw/zinc/74/18/01/353741801.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 2 245.370 2.021 10 30 BEEELP Cc1cc(NCC[N@@H+](C)C(C)C)c(C#N)c(C)[nH+]1 ZINC000157428647 384448594 /nfs/dbraw/zinc/44/85/94/384448594.db2.gz JDNWFXWRQCAYNP-UHFFFAOYSA-N 2 2 246.358 2.322 10 30 BEEELP Cc1cc(NCC[N@H+](C)C(C)C)c(C#N)c(C)[nH+]1 ZINC000157428647 384448600 /nfs/dbraw/zinc/44/86/00/384448600.db2.gz JDNWFXWRQCAYNP-UHFFFAOYSA-N 2 2 246.358 2.322 10 30 BEEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000193018449 386808430 /nfs/dbraw/zinc/80/84/30/386808430.db2.gz FBSXBURDDIZQET-BARDWOONSA-N 2 2 249.402 2.387 10 30 BEEELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000193018449 386808441 /nfs/dbraw/zinc/80/84/41/386808441.db2.gz FBSXBURDDIZQET-BARDWOONSA-N 2 2 249.402 2.387 10 30 BEEELP C[C@H]1CCCC[C@H]1[N@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607870 177086794 /nfs/dbraw/zinc/08/67/94/177086794.db2.gz ZXZSVHAIGOSCFL-NWDGAFQWSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC/C(N)=[NH+]/O ZINC000042607870 177086795 /nfs/dbraw/zinc/08/67/95/177086795.db2.gz ZXZSVHAIGOSCFL-NWDGAFQWSA-N 2 2 241.379 2.414 10 30 BEEELP N#CCCCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757134218 586427267 /nfs/dbraw/zinc/42/72/67/586427267.db2.gz WSMXFOMHKRNHTA-OAHLLOKOSA-N 2 2 247.386 2.240 10 30 BEEELP N#CCCCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757134218 586427269 /nfs/dbraw/zinc/42/72/69/586427269.db2.gz WSMXFOMHKRNHTA-OAHLLOKOSA-N 2 2 247.386 2.240 10 30 BEEELP C=C(C)C[N@H+](CC)C[C@@H]([NH3+])Cc1ccccc1 ZINC000020074151 187371003 /nfs/dbraw/zinc/37/10/03/187371003.db2.gz PBOWFJSDBMOEOZ-HNNXBMFYSA-N 2 2 232.371 2.454 10 30 BEEELP C=C(C)C[N@@H+](CC)C[C@@H]([NH3+])Cc1ccccc1 ZINC000020074151 187371005 /nfs/dbraw/zinc/37/10/05/187371005.db2.gz PBOWFJSDBMOEOZ-HNNXBMFYSA-N 2 2 232.371 2.454 10 30 BEEELP N#Cc1ccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616600348 350779460 /nfs/dbraw/zinc/77/94/60/350779460.db2.gz HKMGBONUZCPNKE-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccc([C@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616600348 350779462 /nfs/dbraw/zinc/77/94/62/350779462.db2.gz HKMGBONUZCPNKE-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP C=CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285924 353741161 /nfs/dbraw/zinc/74/11/61/353741161.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285924 353741163 /nfs/dbraw/zinc/74/11/63/353741163.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285924 353741164 /nfs/dbraw/zinc/74/11/64/353741164.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 2 245.370 2.021 10 30 BEEELP C=CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285924 353741165 /nfs/dbraw/zinc/74/11/65/353741165.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 2 245.370 2.021 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054824025 358876449 /nfs/dbraw/zinc/87/64/49/358876449.db2.gz CINJQOJLKPJZCK-QWHCGFSZSA-N 2 2 223.364 2.000 10 30 BEEELP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702425 371543781 /nfs/dbraw/zinc/54/37/81/371543781.db2.gz NDBCNRLYFSRGOF-GFCCVEGCSA-N 2 2 223.364 2.000 10 30 BEEELP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000126702425 371543784 /nfs/dbraw/zinc/54/37/84/371543784.db2.gz NDBCNRLYFSRGOF-GFCCVEGCSA-N 2 2 223.364 2.000 10 30 BEEELP C#CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672540 384492932 /nfs/dbraw/zinc/49/29/32/384492932.db2.gz LJAUCTNBNKITGM-LBPRGKRZSA-N 2 2 225.295 2.156 10 30 BEEELP C#CC[NH2+][C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000037184910 166192171 /nfs/dbraw/zinc/19/21/71/166192171.db2.gz BDDPYNGHASADON-LLVKDONJSA-N 2 2 202.301 2.291 10 30 BEEELP CC1CCC([N@H+](C)CCCC/C(N)=[NH+]\O)CC1 ZINC000049580284 168157891 /nfs/dbraw/zinc/15/78/91/168157891.db2.gz MDSVMBFRTMRIPP-UHFFFAOYSA-N 2 2 241.379 2.414 10 30 BEEELP CC1CCC([N@@H+](C)CCCC/C(N)=[NH+]\O)CC1 ZINC000049580284 168157892 /nfs/dbraw/zinc/15/78/92/168157892.db2.gz MDSVMBFRTMRIPP-UHFFFAOYSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235660888 177163507 /nfs/dbraw/zinc/16/35/07/177163507.db2.gz GZMZCMJNYMOFDR-SWLSCSKDSA-N 2 2 243.354 2.117 10 30 BEEELP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235660888 177163509 /nfs/dbraw/zinc/16/35/09/177163509.db2.gz GZMZCMJNYMOFDR-SWLSCSKDSA-N 2 2 243.354 2.117 10 30 BEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCCC#N ZINC000178316914 346952389 /nfs/dbraw/zinc/95/23/89/346952389.db2.gz BNZOPYJIZSXFGB-CQSZACIVSA-N 2 2 246.358 2.350 10 30 BEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCCC#N ZINC000178316914 346952391 /nfs/dbraw/zinc/95/23/91/346952391.db2.gz BNZOPYJIZSXFGB-CQSZACIVSA-N 2 2 246.358 2.350 10 30 BEEELP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054824029 344457711 /nfs/dbraw/zinc/45/77/11/344457711.db2.gz KFVFKGHIRQHZMZ-UONOGXRCSA-N 2 2 237.391 2.390 10 30 BEEELP CCCC1CC[NH+](CCCC/C(N)=[NH+]/O)CC1 ZINC000050893869 168607685 /nfs/dbraw/zinc/60/76/85/168607685.db2.gz VQELWFZJHIZCGE-UHFFFAOYSA-N 2 2 241.379 2.415 10 30 BEEELP CC#CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000155949679 191081615 /nfs/dbraw/zinc/08/16/15/191081615.db2.gz QVZNABDINHATLJ-AWEZNQCLSA-N 2 2 231.343 2.069 10 30 BEEELP CC#CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000155949679 191081617 /nfs/dbraw/zinc/08/16/17/191081617.db2.gz QVZNABDINHATLJ-AWEZNQCLSA-N 2 2 231.343 2.069 10 30 BEEELP N#Cc1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000616625904 351087036 /nfs/dbraw/zinc/08/70/36/351087036.db2.gz XJMYZGAYUJZJMP-HNNXBMFYSA-N 2 2 243.354 2.434 10 30 BEEELP N#Cc1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000616625904 351087038 /nfs/dbraw/zinc/08/70/38/351087038.db2.gz XJMYZGAYUJZJMP-HNNXBMFYSA-N 2 2 243.354 2.434 10 30 BEEELP CC(C)[N@H+](CCC#N)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042529965 188120582 /nfs/dbraw/zinc/12/05/82/188120582.db2.gz COEPQKUSUXVNMS-STQMWFEESA-N 2 2 223.364 2.270 10 30 BEEELP CC(C)[N@@H+](CCC#N)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042529965 188120584 /nfs/dbraw/zinc/12/05/84/188120584.db2.gz COEPQKUSUXVNMS-STQMWFEESA-N 2 2 223.364 2.270 10 30 BEEELP C#CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042859333 188217122 /nfs/dbraw/zinc/21/71/22/188217122.db2.gz PMMYONOQKVJSPL-CABCVRRESA-N 2 2 248.414 2.500 10 30 BEEELP C=CC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000134806356 591950885 /nfs/dbraw/zinc/95/08/85/591950885.db2.gz VZVFVVZZTRXTOD-ZDUSSCGKSA-N 2 2 240.416 2.122 10 30 BEEELP C=CC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897416 136363590 /nfs/dbraw/zinc/36/35/90/136363590.db2.gz PHBPVKYYFGAXQC-LBPRGKRZSA-N 2 2 219.332 2.268 10 30 BEEELP C=CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897416 136363591 /nfs/dbraw/zinc/36/35/91/136363591.db2.gz PHBPVKYYFGAXQC-LBPRGKRZSA-N 2 2 219.332 2.268 10 30 BEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000178316895 346952050 /nfs/dbraw/zinc/95/20/50/346952050.db2.gz BNZOPYJIZSXFGB-AWEZNQCLSA-N 2 2 246.358 2.350 10 30 BEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCCC#N ZINC000178316895 346952051 /nfs/dbraw/zinc/95/20/51/346952051.db2.gz BNZOPYJIZSXFGB-AWEZNQCLSA-N 2 2 246.358 2.350 10 30 BEEELP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595695610 348306130 /nfs/dbraw/zinc/30/61/30/348306130.db2.gz WZUIZFFQEHNENI-BFHYXJOUSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595695610 348306134 /nfs/dbraw/zinc/30/61/34/348306134.db2.gz WZUIZFFQEHNENI-BFHYXJOUSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595695611 348306296 /nfs/dbraw/zinc/30/62/96/348306296.db2.gz WZUIZFFQEHNENI-MCIONIFRSA-N 2 2 235.375 2.143 10 30 BEEELP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595695611 348306298 /nfs/dbraw/zinc/30/62/98/348306298.db2.gz WZUIZFFQEHNENI-MCIONIFRSA-N 2 2 235.375 2.143 10 30 BEEELP N#Cc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616602504 350791911 /nfs/dbraw/zinc/79/19/11/350791911.db2.gz YIBVNWVTFZTQQV-CYBMUJFWSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616602504 350791914 /nfs/dbraw/zinc/79/19/14/350791914.db2.gz YIBVNWVTFZTQQV-CYBMUJFWSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615114 350845669 /nfs/dbraw/zinc/84/56/69/350845669.db2.gz QOVNHNMCVBLCSH-CQSZACIVSA-N 2 2 229.327 2.044 10 30 BEEELP N#Cc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615114 350845672 /nfs/dbraw/zinc/84/56/72/350845672.db2.gz QOVNHNMCVBLCSH-CQSZACIVSA-N 2 2 229.327 2.044 10 30 BEEELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCCC[C@H]1C#N ZINC000054828411 188127396 /nfs/dbraw/zinc/12/73/96/188127396.db2.gz BGHFQWMGCHXFTA-STQMWFEESA-N 2 2 246.358 2.025 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054827222 181058337 /nfs/dbraw/zinc/05/83/37/181058337.db2.gz CPSVARJBJWANJI-BYNSBNAKSA-N 2 2 247.386 2.285 10 30 BEEELP N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054827222 181058339 /nfs/dbraw/zinc/05/83/39/181058339.db2.gz CPSVARJBJWANJI-BYNSBNAKSA-N 2 2 247.386 2.285 10 30 BEEELP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054827103 369100880 /nfs/dbraw/zinc/10/08/80/369100880.db2.gz PLKMGOJFYAWLTD-JSGCOSHPSA-N 2 2 235.375 2.143 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CC[N@@H+]1C ZINC000252134594 369998992 /nfs/dbraw/zinc/99/89/92/369998992.db2.gz MKMPJRFLRXITTR-RQJABVFESA-N 2 2 235.375 2.141 10 30 BEEELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CC[N@H+]1C ZINC000252134594 369998995 /nfs/dbraw/zinc/99/89/95/369998995.db2.gz MKMPJRFLRXITTR-RQJABVFESA-N 2 2 235.375 2.141 10 30 BEEELP Cc1cc(N[C@H](C)CC[NH+](C)C)c(C#N)c(C)[nH+]1 ZINC000157411049 385168429 /nfs/dbraw/zinc/16/84/29/385168429.db2.gz NHNDHSXPDXKQGN-SNVBAGLBSA-N 2 2 246.358 2.322 10 30 BEEELP C=CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515949 388165539 /nfs/dbraw/zinc/16/55/39/388165539.db2.gz GGNDUPICOHFHTF-LBPRGKRZSA-N 2 2 217.316 2.001 10 30 BEEELP C=CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515949 388165541 /nfs/dbraw/zinc/16/55/41/388165541.db2.gz GGNDUPICOHFHTF-LBPRGKRZSA-N 2 2 217.316 2.001 10 30 BEEELP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187514 134122230 /nfs/dbraw/zinc/12/22/30/134122230.db2.gz DVAYLGNZSJVHAW-UONOGXRCSA-N 2 2 247.386 2.096 10 30 BEEELP C[N@H+]1CCC[C@H]2C[NH+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187514 134122231 /nfs/dbraw/zinc/12/22/31/134122231.db2.gz DVAYLGNZSJVHAW-UONOGXRCSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@H]2C[N@H+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187514 134122232 /nfs/dbraw/zinc/12/22/32/134122232.db2.gz DVAYLGNZSJVHAW-UONOGXRCSA-N 2 2 247.386 2.096 10 30 BEEELP C[NH+]1CCC[C@H]2C[N@@H+](CC3(C#N)CCC3)CC[C@H]21 ZINC000336187514 134122233 /nfs/dbraw/zinc/12/22/33/134122233.db2.gz DVAYLGNZSJVHAW-UONOGXRCSA-N 2 2 247.386 2.096 10 30 BEEELP C=C[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119368597 134226657 /nfs/dbraw/zinc/22/66/57/134226657.db2.gz CJKSRWVIWCOBEI-ZBFHGGJFSA-N 2 2 244.382 2.468 10 30 BEEELP C=C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119368597 134226658 /nfs/dbraw/zinc/22/66/58/134226658.db2.gz CJKSRWVIWCOBEI-ZBFHGGJFSA-N 2 2 244.382 2.468 10 30 BEEELP C=CC[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602104 166360487 /nfs/dbraw/zinc/36/04/87/166360487.db2.gz UOQAHSVSGRZAIT-YHWZYXNKSA-N 2 2 208.349 2.167 10 30 BEEELP C=CC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602104 166360489 /nfs/dbraw/zinc/36/04/89/166360489.db2.gz UOQAHSVSGRZAIT-YHWZYXNKSA-N 2 2 208.349 2.167 10 30 BEEELP C[C@H]1CCC[C@H]([N@H+](C)CCCC/C(N)=[NH+]\O)C1 ZINC000049580297 177134263 /nfs/dbraw/zinc/13/42/63/177134263.db2.gz FUHMTBWFMYQPQQ-RYUDHWBXSA-N 2 2 241.379 2.414 10 30 BEEELP C[C@H]1CCC[C@H]([N@@H+](C)CCCC/C(N)=[NH+]\O)C1 ZINC000049580297 177134265 /nfs/dbraw/zinc/13/42/65/177134265.db2.gz FUHMTBWFMYQPQQ-RYUDHWBXSA-N 2 2 241.379 2.414 10 30 BEEELP C#CCC[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306779396 343881037 /nfs/dbraw/zinc/88/10/37/343881037.db2.gz WBUYZKFKFKOLHK-CQSZACIVSA-N 2 2 230.355 2.120 10 30 BEEELP C#CCC[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000306779396 343881039 /nfs/dbraw/zinc/88/10/39/343881039.db2.gz WBUYZKFKFKOLHK-CQSZACIVSA-N 2 2 230.355 2.120 10 30 BEEELP CC1(/C(N)=[NH+]/O)CC[NH+](Cc2ccccc2)CC1 ZINC000226330224 351007864 /nfs/dbraw/zinc/00/78/64/351007864.db2.gz BCGQJGZKIDDAJY-UHFFFAOYSA-N 2 2 247.342 2.035 10 30 BEEELP C[NH+]=CNc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000027214957 188109939 /nfs/dbraw/zinc/10/99/39/188109939.db2.gz ZAEYSAWLARNQTE-UHFFFAOYSA-N 2 2 200.245 2.147 10 30 BEEELP C#CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000132199607 358710445 /nfs/dbraw/zinc/71/04/45/358710445.db2.gz BRFICHKWKUMQDF-CYBMUJFWSA-N 2 2 243.354 2.052 10 30 BEEELP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054827099 369100780 /nfs/dbraw/zinc/10/07/80/369100780.db2.gz PLKMGOJFYAWLTD-TZMCWYRMSA-N 2 2 235.375 2.143 10 30 BEEELP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054827101 369101225 /nfs/dbraw/zinc/10/12/25/369101225.db2.gz PLKMGOJFYAWLTD-OCCSQVGLSA-N 2 2 235.375 2.143 10 30 BEEELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000040673128 373592876 /nfs/dbraw/zinc/59/28/76/373592876.db2.gz CVSIARMOESSYAQ-DOMZBBRYSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000040673128 373592882 /nfs/dbraw/zinc/59/28/82/373592882.db2.gz CVSIARMOESSYAQ-DOMZBBRYSA-N 2 2 243.354 2.303 10 30 BEEELP CCC[NH2+][C@@H](C#N)CCn1cc[nH+]c1C(C)C ZINC000062439816 169273547 /nfs/dbraw/zinc/27/35/47/169273547.db2.gz NNIDMYVIFZCCMV-GFCCVEGCSA-N 2 2 234.347 2.288 10 30 BEEELP C=C(C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301736 387922002 /nfs/dbraw/zinc/92/20/02/387922002.db2.gz YRHQRNSOWDCTQU-ZDUSSCGKSA-N 2 2 219.332 2.232 10 30 BEEELP C=C(C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301736 387922003 /nfs/dbraw/zinc/92/20/03/387922003.db2.gz YRHQRNSOWDCTQU-ZDUSSCGKSA-N 2 2 219.332 2.232 10 30 BEEELP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000120511586 134229857 /nfs/dbraw/zinc/22/98/57/134229857.db2.gz AXXHAFUMJJVJNV-KBPBESRZSA-N 2 2 222.376 2.415 10 30 BEEELP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000120511586 134229858 /nfs/dbraw/zinc/22/98/58/134229858.db2.gz AXXHAFUMJJVJNV-KBPBESRZSA-N 2 2 222.376 2.415 10 30 BEEELP C=C[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000119368351 534512094 /nfs/dbraw/zinc/51/20/94/534512094.db2.gz CJKSRWVIWCOBEI-GDBMZVCRSA-N 2 2 244.382 2.468 10 30 BEEELP C=C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000119368351 534512102 /nfs/dbraw/zinc/51/21/02/534512102.db2.gz CJKSRWVIWCOBEI-GDBMZVCRSA-N 2 2 244.382 2.468 10 30 BEEELP C=CC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000134806335 591951221 /nfs/dbraw/zinc/95/12/21/591951221.db2.gz VZVFVVZZTRXTOD-CYBMUJFWSA-N 2 2 240.416 2.122 10 30 BEEELP CC[NH+](CC)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000157370334 631299215 /nfs/dbraw/zinc/29/92/15/631299215.db2.gz MBRQKWWMPFLQME-UHFFFAOYSA-N 2 2 246.358 2.324 10 30 BEEELP N#Cc1ccccc1[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616603766 350789804 /nfs/dbraw/zinc/78/98/04/350789804.db2.gz IAQCNIZTDFERKR-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP N#Cc1ccccc1[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616603766 350789808 /nfs/dbraw/zinc/78/98/08/350789808.db2.gz IAQCNIZTDFERKR-AWEZNQCLSA-N 2 2 243.354 2.086 10 30 BEEELP C=CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076609533 166341098 /nfs/dbraw/zinc/34/10/98/166341098.db2.gz RFLNIBJSMNRFQM-UHFFFAOYSA-N 2 2 218.344 2.250 10 30 BEEELP C=CC[N@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076609533 166341100 /nfs/dbraw/zinc/34/11/00/166341100.db2.gz RFLNIBJSMNRFQM-UHFFFAOYSA-N 2 2 218.344 2.250 10 30 BEEELP C/[NH+]=C1\CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584605276 358264474 /nfs/dbraw/zinc/26/44/74/358264474.db2.gz ICTYEVZKPMCCKA-YEQVNJDRSA-N 2 2 214.312 2.450 10 30 BEEELP C=CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000130747745 368140183 /nfs/dbraw/zinc/14/01/83/368140183.db2.gz SCSVYTFEJLPBRN-HIFRSBDPSA-N 2 2 230.355 2.283 10 30 BEEELP C=CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000130747745 368140189 /nfs/dbraw/zinc/14/01/89/368140189.db2.gz SCSVYTFEJLPBRN-HIFRSBDPSA-N 2 2 230.355 2.283 10 30 BEEELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000040673126 373592840 /nfs/dbraw/zinc/59/28/40/373592840.db2.gz CVSIARMOESSYAQ-IUODEOHRSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000040673126 373592848 /nfs/dbraw/zinc/59/28/48/373592848.db2.gz CVSIARMOESSYAQ-IUODEOHRSA-N 2 2 243.354 2.303 10 30 BEEELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000396648275 385724079 /nfs/dbraw/zinc/72/40/79/385724079.db2.gz LBPBXLSMQCXEBU-HUBLWGQQSA-N 2 2 243.354 2.349 10 30 BEEELP Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)c(C#N)c[nH+]1 ZINC000398999702 386504791 /nfs/dbraw/zinc/50/47/91/386504791.db2.gz RMUBFKCFTLOQKD-CYBMUJFWSA-N 2 2 246.358 2.071 10 30 BEEELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192717132 387525792 /nfs/dbraw/zinc/52/57/92/387525792.db2.gz SSCKGVQSOKTNKF-MJBXVCDLSA-N 2 2 235.375 2.143 10 30 BEEELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192717132 387525799 /nfs/dbraw/zinc/52/57/99/387525799.db2.gz SSCKGVQSOKTNKF-MJBXVCDLSA-N 2 2 235.375 2.143 10 30 BEEELP C=C(C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301754 387922962 /nfs/dbraw/zinc/92/29/62/387922962.db2.gz YRHQRNSOWDCTQU-CYBMUJFWSA-N 2 2 219.332 2.232 10 30 BEEELP C=C(C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301754 387922973 /nfs/dbraw/zinc/92/29/73/387922973.db2.gz YRHQRNSOWDCTQU-CYBMUJFWSA-N 2 2 219.332 2.232 10 30 BEEELP C=CC[N@@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076613630 166341162 /nfs/dbraw/zinc/34/11/62/166341162.db2.gz YECKIMXABHUJGO-UHFFFAOYSA-N 2 2 229.327 2.115 10 30 BEEELP C=CC[N@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076613630 166341165 /nfs/dbraw/zinc/34/11/65/166341165.db2.gz YECKIMXABHUJGO-UHFFFAOYSA-N 2 2 229.327 2.115 10 30 BEEELP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336264824 173062144 /nfs/dbraw/zinc/06/21/44/173062144.db2.gz POIMJJHQRMCKBP-HNNXBMFYSA-N 2 2 247.386 2.098 10 30 BEEELP C[N@H+]1CCC[C@]2(CC[NH+](CC3(C#N)CCC3)C2)C1 ZINC000336264824 173062146 /nfs/dbraw/zinc/06/21/46/173062146.db2.gz POIMJJHQRMCKBP-HNNXBMFYSA-N 2 2 247.386 2.098 10 30 BEEELP C[NH+]1CCC[C@]2(CC[N@H+](CC3(C#N)CCC3)C2)C1 ZINC000336264824 173062148 /nfs/dbraw/zinc/06/21/48/173062148.db2.gz POIMJJHQRMCKBP-HNNXBMFYSA-N 2 2 247.386 2.098 10 30 BEEELP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(C#N)CCC3)C2)C1 ZINC000336264824 173062151 /nfs/dbraw/zinc/06/21/51/173062151.db2.gz POIMJJHQRMCKBP-HNNXBMFYSA-N 2 2 247.386 2.098 10 30 BEEELP