smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000000007986 343606078 /nfs/dbraw/zinc/60/60/78/343606078.db2.gz MCWNRJVMXBUUPG-HNNXBMFYSA-N 1 1 228.339 3.146 10 30 BGEEMO CCC[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000001534950 169198142 /nfs/dbraw/zinc/19/81/42/169198142.db2.gz GQRIAOUUYRIMLH-HNNXBMFYSA-N 1 1 228.339 3.148 10 30 in-vivo BGEEMO CC(C)[N@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000003785165 411185992 /nfs/dbraw/zinc/18/59/92/411185992.db2.gz MCWNRJVMXBUUPG-OAHLLOKOSA-N 1 1 228.339 3.146 10 30 BGEEMO C=CC[N@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788566 368882949 /nfs/dbraw/zinc/88/29/49/368882949.db2.gz LQVKLIWEHOSMFM-GDBMZVCRSA-N 1 1 227.351 3.224 10 30 BGEEMO CCC[N@@H+](CC)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000003990453 169131152 /nfs/dbraw/zinc/13/11/52/169131152.db2.gz TZEGNEPVLMOQPG-CYBMUJFWSA-N 1 1 235.371 3.320 10 30 BGEEMO CC(C)(C)[NH+]=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000005114239 359654129 /nfs/dbraw/zinc/65/41/29/359654129.db2.gz KUEHILWIADUSSA-UHFFFAOYSA-N 1 1 242.326 3.315 10 30 BGEEMO C/N=C1\C[C@@H](C)[N@@H+](CCc2ccccc2)C[C@@H]1C ZINC000005355200 342762534 /nfs/dbraw/zinc/76/25/34/342762534.db2.gz WUVCXGVANHXTKZ-FZJVYVCZSA-N 1 1 244.382 3.030 10 30 BGEEMO C/N=C1\C[C@H](C)[N@@H+](CCc2ccccc2)C[C@@H]1C ZINC000005358120 384111782 /nfs/dbraw/zinc/11/17/82/384111782.db2.gz WUVCXGVANHXTKZ-QLXQBBHQSA-N 1 1 244.382 3.030 10 30 BGEEMO N#Cc1cccc([C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000012355935 388716648 /nfs/dbraw/zinc/71/66/48/388716648.db2.gz RWFSSGIYTQCWMB-MRXNPFEDSA-N 1 1 240.350 3.148 10 30 BGEEMO C=CC[N@H+](C)[C@@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583916 166324085 /nfs/dbraw/zinc/32/40/85/166324085.db2.gz RHQPASUQIGVBMR-OAHLLOKOSA-N 1 1 245.366 3.102 10 30 BGEEMO C=CC[N@H+](C)[C@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583918 166322796 /nfs/dbraw/zinc/32/27/96/166322796.db2.gz RHQPASUQIGVBMR-HNNXBMFYSA-N 1 1 245.366 3.102 10 30 BGEEMO CCC[N@H+]1CCC[C@@H](c2cccc(CC#N)c2)C1 ZINC000013738269 169195681 /nfs/dbraw/zinc/19/56/81/169195681.db2.gz RURTXDUFVIOALE-MRXNPFEDSA-N 1 1 242.366 3.342 10 30 BGEEMO C#Cc1cccc([C@@H]2CCC[N@H+](CCC)C2)c1 ZINC000013738270 188052078 /nfs/dbraw/zinc/05/20/78/188052078.db2.gz PGAXGWGBGVJKJG-MRXNPFEDSA-N 1 1 227.351 3.257 10 30 BGEEMO N#Cc1ccc([C@@H]2CCCCc3c[nH+]cn32)cc1 ZINC000013820319 181130405 /nfs/dbraw/zinc/13/04/05/181130405.db2.gz IVAZIKNYMMXRJK-HNNXBMFYSA-N 1 1 237.306 3.071 10 30 BGEEMO N#Cc1ccc([C@H]2CCCCc3c[nH+]cn32)cc1 ZINC000013820321 181130617 /nfs/dbraw/zinc/13/06/17/181130617.db2.gz IVAZIKNYMMXRJK-OAHLLOKOSA-N 1 1 237.306 3.071 10 30 BGEEMO CCC[N@@H+](CC)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000013973966 169131275 /nfs/dbraw/zinc/13/12/75/169131275.db2.gz TZEGNEPVLMOQPG-ZDUSSCGKSA-N 1 1 235.371 3.320 10 30 BGEEMO C[C@@H]([NH2+]CCC#N)c1ccc2ccccc2c1 ZINC000020199601 384596856 /nfs/dbraw/zinc/59/68/56/384596856.db2.gz CGOCHQKEZLPONW-GFCCVEGCSA-N 1 1 224.307 3.404 10 30 BGEEMO C[C@H]([NH2+]CCC#N)c1ccc2ccccc2c1 ZINC000020199603 384596813 /nfs/dbraw/zinc/59/68/13/384596813.db2.gz CGOCHQKEZLPONW-LBPRGKRZSA-N 1 1 224.307 3.404 10 30 BGEEMO CC(C)Cc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020199757 384596176 /nfs/dbraw/zinc/59/61/76/384596176.db2.gz GSIBBBAHNCEGIX-CYBMUJFWSA-N 1 1 230.355 3.449 10 30 BGEEMO CC(C)Cc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000020199759 535338143 /nfs/dbraw/zinc/33/81/43/535338143.db2.gz GSIBBBAHNCEGIX-ZDUSSCGKSA-N 1 1 230.355 3.449 10 30 BGEEMO CCCOc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020199832 366101877 /nfs/dbraw/zinc/10/18/77/366101877.db2.gz HARGESJBNZEFRS-GFCCVEGCSA-N 1 1 232.327 3.040 10 30 BGEEMO CCCOc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000020199834 366101132 /nfs/dbraw/zinc/10/11/32/366101132.db2.gz HARGESJBNZEFRS-LBPRGKRZSA-N 1 1 232.327 3.040 10 30 BGEEMO CC(C)c1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020199986 384595365 /nfs/dbraw/zinc/59/53/65/384595365.db2.gz NYLFQPJLGHNMAC-GFCCVEGCSA-N 1 1 216.328 3.374 10 30 BGEEMO CC(C)c1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000020199988 384596183 /nfs/dbraw/zinc/59/61/83/384596183.db2.gz NYLFQPJLGHNMAC-LBPRGKRZSA-N 1 1 216.328 3.374 10 30 BGEEMO C[C@@H]([NH2+]CCC#N)c1ccc(F)c(Cl)c1 ZINC000020200050 385423318 /nfs/dbraw/zinc/42/33/18/385423318.db2.gz FQIBERKIYGGACA-MRVPVSSYSA-N 1 1 226.682 3.043 10 30 BGEEMO C[C@H]([NH2+]CCC#N)c1ccc(F)c(Cl)c1 ZINC000020200052 385423348 /nfs/dbraw/zinc/42/33/48/385423348.db2.gz FQIBERKIYGGACA-QMMMGPOBSA-N 1 1 226.682 3.043 10 30 BGEEMO CC(C)COc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000020200115 384596253 /nfs/dbraw/zinc/59/62/53/384596253.db2.gz NEORUYFKPPSTSV-CYBMUJFWSA-N 1 1 246.354 3.286 10 30 BGEEMO CC(C)COc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000020200117 384595774 /nfs/dbraw/zinc/59/57/74/384595774.db2.gz NEORUYFKPPSTSV-ZDUSSCGKSA-N 1 1 246.354 3.286 10 30 BGEEMO N#Cc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000021949962 181130332 /nfs/dbraw/zinc/13/03/32/181130332.db2.gz JSTUYWGXODAHGO-INIZCTEOSA-N 1 1 248.285 3.353 10 30 BGEEMO N#Cc1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000021949964 181130507 /nfs/dbraw/zinc/13/05/07/181130507.db2.gz JSTUYWGXODAHGO-MRXNPFEDSA-N 1 1 248.285 3.353 10 30 BGEEMO N#Cc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026720417 181151375 /nfs/dbraw/zinc/15/13/75/181151375.db2.gz AUOQQUWSNUIRJR-UKRRQHHQSA-N 1 1 226.323 3.248 10 30 BGEEMO C=CC[N@H+]1CCC[C@H]2C[C@@H]1c1ccccc12 ZINC000027523373 166354474 /nfs/dbraw/zinc/35/44/74/166354474.db2.gz YJZNRSFQIRJKSX-SWLSCSKDSA-N 1 1 213.324 3.497 10 30 BGEEMO C=CCCCC/C=C1\C[N@H+]2CCC[C@H]2[C@@](C)(O)C1 ZINC000027547703 188060177 /nfs/dbraw/zinc/06/01/77/188060177.db2.gz KUUNYKSSMMOQCE-RPZAIAHZSA-N 1 1 249.398 3.278 10 30 BGEEMO C=CC[N@H+]1CCc2cccc3c2[C@@H](CCC3)C1 ZINC000027717798 166359279 /nfs/dbraw/zinc/35/92/79/166359279.db2.gz HGOHHVSAARYECT-HNNXBMFYSA-N 1 1 227.351 3.151 10 30 BGEEMO C=CC[N@H+]1CCc2cccc3c2[C@H](CCC3)C1 ZINC000027717829 166358521 /nfs/dbraw/zinc/35/85/21/166358521.db2.gz HGOHHVSAARYECT-OAHLLOKOSA-N 1 1 227.351 3.151 10 30 BGEEMO C=C[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000027888290 188234072 /nfs/dbraw/zinc/23/40/72/188234072.db2.gz SNKVNNXKZIUUHR-DLBZAZTESA-N 1 1 233.314 3.317 10 30 BGEEMO C=CC[N@H+]1[C@H](C)Cc2ccccc2[C@H]1C ZINC000028247348 166361998 /nfs/dbraw/zinc/36/19/98/166361998.db2.gz DAYJPDHSHGZODO-VXGBXAGGSA-N 1 1 201.313 3.180 10 30 BGEEMO C=CC[N@@H+]1[C@H](C)c2ccccc2C[C@@H]1C ZINC000028247357 166361522 /nfs/dbraw/zinc/36/15/22/166361522.db2.gz DAYJPDHSHGZODO-NWDGAFQWSA-N 1 1 201.313 3.180 10 30 BGEEMO C=CC[N@H+]1[C@H](C)Cc2ccccc2[C@@H]1C ZINC000028247364 166361808 /nfs/dbraw/zinc/36/18/08/166361808.db2.gz DAYJPDHSHGZODO-NEPJUHHUSA-N 1 1 201.313 3.180 10 30 BGEEMO C=CC[N@H+]1[C@@H](C)Cc2ccccc2[C@@H]1C ZINC000028247370 166361222 /nfs/dbraw/zinc/36/12/22/166361222.db2.gz DAYJPDHSHGZODO-RYUDHWBXSA-N 1 1 201.313 3.180 10 30 BGEEMO CCCSC(Nc1ccccc1)=[NH+]C ZINC000028344055 169335087 /nfs/dbraw/zinc/33/50/87/169335087.db2.gz CAKFJRUMJWPDSK-UHFFFAOYSA-N 1 1 208.330 3.037 10 30 BGEEMO CCC[N@H+]1CCC[C@H]2CC3=C(CCCC3=O)C[C@@H]21 ZINC000028568415 169201617 /nfs/dbraw/zinc/20/16/17/169201617.db2.gz QLIKRYHBUISCTR-ZFWWWQNUSA-N 1 1 247.382 3.320 10 30 BGEEMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](C)C#N ZINC000031945871 187256673 /nfs/dbraw/zinc/25/66/73/187256673.db2.gz PWYLMVAFYZYJBQ-ZDUSSCGKSA-N 1 1 216.328 3.057 10 30 BGEEMO CC(C)[N@H+](Cc1ccccc1)C[C@H](C)C#N ZINC000031945872 187256435 /nfs/dbraw/zinc/25/64/35/187256435.db2.gz PWYLMVAFYZYJBQ-CYBMUJFWSA-N 1 1 216.328 3.057 10 30 BGEEMO C=CC[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC000033496150 345800090 /nfs/dbraw/zinc/80/00/90/345800090.db2.gz BEXCQTCWQNYKBX-UHFFFAOYSA-N 1 1 205.345 3.073 10 30 BGEEMO C=CC[N@@H+]1C[C@H](C)[C@H](Nc2ccccc2)C[C@H]1C ZINC000034522476 345831227 /nfs/dbraw/zinc/83/12/27/345831227.db2.gz RBTRFNVMOGYJFF-SQWLQELKSA-N 1 1 244.382 3.383 10 30 BGEEMO N#CC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000034616024 181032700 /nfs/dbraw/zinc/03/27/00/181032700.db2.gz SRRYTQUNCUSJPQ-MQVJKMGUSA-N 1 1 240.350 3.343 10 30 BGEEMO C/N=C1\C[C@@H](C)[N@@H+](CCc2ccccc2)C[C@H]1C ZINC000034911636 187257655 /nfs/dbraw/zinc/25/76/55/187257655.db2.gz WUVCXGVANHXTKZ-BKJYESAMSA-N 1 1 244.382 3.030 10 30 BGEEMO C/N=C1\C[C@H](C)[N@@H+](CCc2ccccc2)C[C@H]1C ZINC000034911637 343279999 /nfs/dbraw/zinc/27/99/99/343279999.db2.gz WUVCXGVANHXTKZ-OVZRNVPMSA-N 1 1 244.382 3.030 10 30 BGEEMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccs1 ZINC000035141807 387554718 /nfs/dbraw/zinc/55/47/18/387554718.db2.gz RWLUHTSJKUTFNM-NSHDSACASA-N 1 1 242.347 3.471 10 30 BGEEMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccs1 ZINC000035141810 355852109 /nfs/dbraw/zinc/85/21/09/355852109.db2.gz RWLUHTSJKUTFNM-LLVKDONJSA-N 1 1 242.347 3.471 10 30 BGEEMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036787307 167367887 /nfs/dbraw/zinc/36/78/87/167367887.db2.gz OJQKVDIPSLXLDG-JHJVBQTASA-N 1 1 208.349 3.045 10 30 BGEEMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036787308 187249716 /nfs/dbraw/zinc/24/97/16/187249716.db2.gz OJQKVDIPSLXLDG-YNEHKIRRSA-N 1 1 208.349 3.045 10 30 BGEEMO CCC(CC)[N@@H+](C)CCOc1ccccc1C#N ZINC000036789052 168368826 /nfs/dbraw/zinc/36/88/26/168368826.db2.gz LNGJQKSOWKQLNT-UHFFFAOYSA-N 1 1 246.354 3.057 10 30 BGEEMO CCC(CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036789081 168369472 /nfs/dbraw/zinc/36/94/72/168369472.db2.gz HMNRGLHHKHMVLQ-DGCLKSJQSA-N 1 1 208.349 3.189 10 30 BGEEMO CCC(CC)[N@@H+](C)[C@H]1CCCC[C@@H]1C#N ZINC000036789082 168368766 /nfs/dbraw/zinc/36/87/66/168368766.db2.gz HMNRGLHHKHMVLQ-YPMHNXCESA-N 1 1 208.349 3.189 10 30 BGEEMO C#CC[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000036961645 166187274 /nfs/dbraw/zinc/18/72/74/166187274.db2.gz ZYICUWSRNALBCM-UHFFFAOYSA-N 1 1 235.286 3.105 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000037145955 348024111 /nfs/dbraw/zinc/02/41/11/348024111.db2.gz NISDYJPYZQQQFN-FVQBIDKESA-N 1 1 242.366 3.447 10 30 BGEEMO C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000037145957 348023853 /nfs/dbraw/zinc/02/38/53/348023853.db2.gz NISDYJPYZQQQFN-VNQPRFMTSA-N 1 1 242.366 3.447 10 30 BGEEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1C#N ZINC000037145963 348023578 /nfs/dbraw/zinc/02/35/78/348023578.db2.gz ICCMVMCEESTPCU-HUUCEWRRSA-N 1 1 228.339 3.201 10 30 BGEEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1C#N ZINC000037145964 348023803 /nfs/dbraw/zinc/02/38/03/348023803.db2.gz ICCMVMCEESTPCU-CABCVRRESA-N 1 1 228.339 3.201 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000037146880 348023776 /nfs/dbraw/zinc/02/37/76/348023776.db2.gz FSRXDSJNILJRPS-HUUCEWRRSA-N 1 1 228.339 3.201 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000037146881 348024048 /nfs/dbraw/zinc/02/40/48/348024048.db2.gz FSRXDSJNILJRPS-CABCVRRESA-N 1 1 228.339 3.201 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C2CCCC2)C1 ZINC000037147074 176219049 /nfs/dbraw/zinc/21/90/49/176219049.db2.gz HNFGLWBCQXHKEA-YRGRVCCFSA-N 1 1 220.360 3.189 10 30 BGEEMO C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)C2CCCC2)C1 ZINC000037147076 176194676 /nfs/dbraw/zinc/19/46/76/176194676.db2.gz HNFGLWBCQXHKEA-MBNYWOFBSA-N 1 1 220.360 3.189 10 30 BGEEMO CCC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1C#N ZINC000037147122 169049829 /nfs/dbraw/zinc/04/98/29/169049829.db2.gz AHVBQWORGPHACA-CHWSQXEVSA-N 1 1 208.349 3.189 10 30 BGEEMO CCC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1C#N ZINC000037147123 169049606 /nfs/dbraw/zinc/04/96/06/169049606.db2.gz AHVBQWORGPHACA-OLZOCXBDSA-N 1 1 208.349 3.189 10 30 BGEEMO CC[C@@H]1CC[C@H](C#N)[C@H](n2cc[nH+]c2C)C1 ZINC000037147422 171046931 /nfs/dbraw/zinc/04/69/31/171046931.db2.gz GYIRGLNZJCBJGW-JHJVBQTASA-N 1 1 217.316 3.083 10 30 BGEEMO CC[C@@H]1CC[C@@H](C#N)[C@H](n2cc[nH+]c2C)C1 ZINC000037147424 171027834 /nfs/dbraw/zinc/02/78/34/171027834.db2.gz GYIRGLNZJCBJGW-FRRDWIJNSA-N 1 1 217.316 3.083 10 30 BGEEMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000037173127 171275223 /nfs/dbraw/zinc/27/52/23/171275223.db2.gz HLWQQIFXTBYHGJ-YNEHKIRRSA-N 1 1 208.349 3.047 10 30 BGEEMO N#CC1([NH+]2CCCC2)CCCCCCC1 ZINC000037355519 181029974 /nfs/dbraw/zinc/02/99/74/181029974.db2.gz JBSQZYKXUUNCBT-UHFFFAOYSA-N 1 1 206.333 3.089 10 30 BGEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)CC2CC2)C1 ZINC000037925543 171045857 /nfs/dbraw/zinc/04/58/57/171045857.db2.gz PPXKMWAWUIBMER-MRVWCRGKSA-N 1 1 220.360 3.047 10 30 BGEEMO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)CC2CC2)C1 ZINC000037925545 171026264 /nfs/dbraw/zinc/02/62/64/171026264.db2.gz PPXKMWAWUIBMER-KWCYVHTRSA-N 1 1 220.360 3.047 10 30 BGEEMO CC[C@@](C#N)([NH2+]C1CCCCC1)C(C)C ZINC000037969181 171162404 /nfs/dbraw/zinc/16/24/04/171162404.db2.gz NXKCOSGFIQYHGZ-ZDUSSCGKSA-N 1 1 208.349 3.237 10 30 BGEEMO C[C@@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCCC1 ZINC000037969269 176083968 /nfs/dbraw/zinc/08/39/68/176083968.db2.gz DFLXQTKZKSRTLB-OCCSQVGLSA-N 1 1 220.360 3.381 10 30 BGEEMO C[C@H]1CCCC[C@@]1(C#N)[NH2+]C1CCCCC1 ZINC000037969270 177084203 /nfs/dbraw/zinc/08/42/03/177084203.db2.gz DFLXQTKZKSRTLB-JSGCOSHPSA-N 1 1 220.360 3.381 10 30 BGEEMO C[C@@H]1CCCC[C@]1(C#N)[NH2+]C1CCCCC1 ZINC000037969271 176090640 /nfs/dbraw/zinc/09/06/40/176090640.db2.gz DFLXQTKZKSRTLB-TZMCWYRMSA-N 1 1 220.360 3.381 10 30 BGEEMO C[C@H]1CCCC[C@]1(C#N)[NH2+]C1CCCCC1 ZINC000037969272 177090429 /nfs/dbraw/zinc/09/04/29/177090429.db2.gz DFLXQTKZKSRTLB-GXTWGEPZSA-N 1 1 220.360 3.381 10 30 BGEEMO C[C@H](C#N)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037976087 176553533 /nfs/dbraw/zinc/55/35/33/176553533.db2.gz INHCATSIDVKUBU-ZJUUUORDSA-N 1 1 222.719 3.150 10 30 BGEEMO N#C[C@@H]([C@H]1CC=CCC1)[NH+]1CCCCCC1 ZINC000038086271 181056962 /nfs/dbraw/zinc/05/69/62/181056962.db2.gz FEIJSHQDWJQOKV-KBPBESRZSA-N 1 1 218.344 3.111 10 30 BGEEMO N#C[C@H]([C@H]1CC=CCC1)[NH+]1CCCCCC1 ZINC000038086272 181066785 /nfs/dbraw/zinc/06/67/85/181066785.db2.gz FEIJSHQDWJQOKV-UONOGXRCSA-N 1 1 218.344 3.111 10 30 BGEEMO N#C[C@@H]([C@@H]1CC=CCC1)[NH+]1CCCCCC1 ZINC000038086273 181057353 /nfs/dbraw/zinc/05/73/53/181057353.db2.gz FEIJSHQDWJQOKV-KGLIPLIRSA-N 1 1 218.344 3.111 10 30 BGEEMO N#C[C@H]([C@@H]1CC=CCC1)[NH+]1CCCCCC1 ZINC000038086274 181066620 /nfs/dbraw/zinc/06/66/20/181066620.db2.gz FEIJSHQDWJQOKV-ZIAGYGMSSA-N 1 1 218.344 3.111 10 30 BGEEMO C=C(Br)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000038097763 384797119 /nfs/dbraw/zinc/79/71/19/384797119.db2.gz UYTIYSYTMXBCLV-SECBINFHSA-N 1 1 244.132 3.147 10 30 BGEEMO C=C(Br)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000038097764 347965859 /nfs/dbraw/zinc/96/58/59/347965859.db2.gz UYTIYSYTMXBCLV-VIFPVBQESA-N 1 1 244.132 3.147 10 30 BGEEMO O=CCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000038327582 368407755 /nfs/dbraw/zinc/40/77/55/368407755.db2.gz NLJLUZQQBGTECH-OAHLLOKOSA-N 1 1 231.339 3.020 10 30 BGEEMO O=CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000038327583 368407456 /nfs/dbraw/zinc/40/74/56/368407456.db2.gz NLJLUZQQBGTECH-HNNXBMFYSA-N 1 1 231.339 3.020 10 30 BGEEMO C=C[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000038673462 187317987 /nfs/dbraw/zinc/31/79/87/187317987.db2.gz PDUDEROCSCAUPO-CYBMUJFWSA-N 1 1 213.280 3.297 10 30 BGEEMO C=CC[N@@H+]1C[C@H](C)[C@@H](Nc2ccccc2)C[C@H]1C ZINC000039187808 350113311 /nfs/dbraw/zinc/11/33/11/350113311.db2.gz RBTRFNVMOGYJFF-LZWOXQAQSA-N 1 1 244.382 3.383 10 30 BGEEMO Cc1cccc(C)c1[NH+]=C1NC(=N)c2ccccc21 ZINC000040802660 179029507 /nfs/dbraw/zinc/02/95/07/179029507.db2.gz XJDSCCXMLKJRJL-UHFFFAOYSA-N 1 1 249.317 3.101 10 30 BGEEMO C[C@H](C#N)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000042207129 176553976 /nfs/dbraw/zinc/55/39/76/176553976.db2.gz FRYBNQWHUZZMBN-ZJUUUORDSA-N 1 1 222.719 3.150 10 30 BGEEMO C[C@@H]([NH2+]C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000042207134 176553936 /nfs/dbraw/zinc/55/39/36/176553936.db2.gz FRYBNQWHUZZMBN-NXEZZACHSA-N 1 1 222.719 3.150 10 30 BGEEMO N#CCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC000042468154 188151264 /nfs/dbraw/zinc/15/12/64/188151264.db2.gz NTUVOZABOZYKTP-UHFFFAOYSA-N 1 1 220.341 3.016 10 30 BGEEMO CCC(CC)C[N@@H+](CC)[C@@H](CC)CC#N ZINC000042487732 168349867 /nfs/dbraw/zinc/34/98/67/168349867.db2.gz IGMGNCYLTHCIIV-ZDUSSCGKSA-N 1 1 210.365 3.437 10 30 BGEEMO CCC(CC)C[N@@H+](CC)[C@H](CC)CC#N ZINC000042487733 168349567 /nfs/dbraw/zinc/34/95/67/168349567.db2.gz IGMGNCYLTHCIIV-CYBMUJFWSA-N 1 1 210.365 3.437 10 30 BGEEMO CCC[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1C#N ZINC000042490271 169137438 /nfs/dbraw/zinc/13/74/38/169137438.db2.gz WDWONFXWMTZZKT-ZIAGYGMSSA-N 1 1 220.360 3.191 10 30 BGEEMO CCC[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1C#N ZINC000042490272 169138740 /nfs/dbraw/zinc/13/87/40/169138740.db2.gz WDWONFXWMTZZKT-KGLIPLIRSA-N 1 1 220.360 3.191 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[N@@H+](Cc1cccs1)C1CC1 ZINC000042515810 181069236 /nfs/dbraw/zinc/06/92/36/181069236.db2.gz KEUKMAOPDLPTAG-BXUZGUMPSA-N 1 1 246.379 3.405 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[N@H+](Cc1cccs1)C1CC1 ZINC000042515810 181069234 /nfs/dbraw/zinc/06/92/34/181069234.db2.gz KEUKMAOPDLPTAG-BXUZGUMPSA-N 1 1 246.379 3.405 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[N@@H+](Cc1cccs1)C1CC1 ZINC000042515812 181069008 /nfs/dbraw/zinc/06/90/08/181069008.db2.gz KEUKMAOPDLPTAG-RISCZKNCSA-N 1 1 246.379 3.405 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[N@H+](Cc1cccs1)C1CC1 ZINC000042515812 181069006 /nfs/dbraw/zinc/06/90/06/181069006.db2.gz KEUKMAOPDLPTAG-RISCZKNCSA-N 1 1 246.379 3.405 10 30 BGEEMO CC(C)[N@H+](CCC#N)CCCc1ccccc1 ZINC000042530721 188294108 /nfs/dbraw/zinc/29/41/08/188294108.db2.gz SFIUAMBMNUJHBX-UHFFFAOYSA-N 1 1 230.355 3.243 10 30 BGEEMO CC(C)[N@@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042582934 188294043 /nfs/dbraw/zinc/29/40/43/188294043.db2.gz HIOHVAZORVTEIY-VHDGCEQUSA-N 1 1 234.387 3.435 10 30 BGEEMO CC(C)[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1C#N ZINC000042582975 188120522 /nfs/dbraw/zinc/12/05/22/188120522.db2.gz SYJPJGFCSPQBDO-KGLIPLIRSA-N 1 1 220.360 3.189 10 30 BGEEMO C[C@H](C#N)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042587682 176553921 /nfs/dbraw/zinc/55/39/21/176553921.db2.gz WSJCJLLPKBJZQM-SFYZADRCSA-N 1 1 228.748 3.212 10 30 BGEEMO Cc1cc(OCC#N)c2ccc(C)c(C)c2[nH+]1 ZINC000045928594 178207747 /nfs/dbraw/zinc/20/77/47/178207747.db2.gz JXFIWYIKVSCAAC-UHFFFAOYSA-N 1 1 226.279 3.062 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C#N)c(C)s1 ZINC000049507025 178226810 /nfs/dbraw/zinc/22/68/10/178226810.db2.gz XHQKKIVKKJXKDB-WCBMZHEXSA-N 1 1 222.357 3.175 10 30 BGEEMO Cc1cc([C@H](C)[NH2+]C[C@@H](C)C#N)c(C)s1 ZINC000049507027 178249281 /nfs/dbraw/zinc/24/92/81/178249281.db2.gz XHQKKIVKKJXKDB-WPRPVWTQSA-N 1 1 222.357 3.175 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+]C[C@H](C)C#N)c(C)s1 ZINC000049507029 178227393 /nfs/dbraw/zinc/22/73/93/178227393.db2.gz XHQKKIVKKJXKDB-PSASIEDQSA-N 1 1 222.357 3.175 10 30 BGEEMO Cc1cc([C@H](C)[NH2+]C[C@H](C)C#N)c(C)s1 ZINC000049507031 178250608 /nfs/dbraw/zinc/25/06/08/178250608.db2.gz XHQKKIVKKJXKDB-SCZZXKLOSA-N 1 1 222.357 3.175 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+][C@@H](C)CC#N)c(C)s1 ZINC000049507163 178231214 /nfs/dbraw/zinc/23/12/14/178231214.db2.gz KRXBYVIZZLJFDR-WCBMZHEXSA-N 1 1 222.357 3.318 10 30 BGEEMO Cc1cc([C@H](C)[NH2+][C@@H](C)CC#N)c(C)s1 ZINC000049507165 178251828 /nfs/dbraw/zinc/25/18/28/178251828.db2.gz KRXBYVIZZLJFDR-WPRPVWTQSA-N 1 1 222.357 3.318 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+][C@H](C)CC#N)c(C)s1 ZINC000049507168 178232570 /nfs/dbraw/zinc/23/25/70/178232570.db2.gz KRXBYVIZZLJFDR-PSASIEDQSA-N 1 1 222.357 3.318 10 30 BGEEMO Cc1cc([C@H](C)[NH2+][C@H](C)CC#N)c(C)s1 ZINC000049507170 178254778 /nfs/dbraw/zinc/25/47/78/178254778.db2.gz KRXBYVIZZLJFDR-SCZZXKLOSA-N 1 1 222.357 3.318 10 30 BGEEMO CCC[N@@H+](CCCCC#N)Cc1ccc(N)cc1 ZINC000049578665 169154008 /nfs/dbraw/zinc/15/40/08/169154008.db2.gz ZHNFRAOEKUZOLU-UHFFFAOYSA-N 1 1 245.370 3.175 10 30 BGEEMO CCC[N@@H+](CCCCC#N)Cc1ccccc1N ZINC000049578667 169154287 /nfs/dbraw/zinc/15/42/87/169154287.db2.gz LYKLOKUARGURFC-UHFFFAOYSA-N 1 1 245.370 3.175 10 30 BGEEMO CC(C)[N@@H+](CCCCC#N)Cc1ccc(N)cc1 ZINC000049578668 187270186 /nfs/dbraw/zinc/27/01/86/187270186.db2.gz OGCGHWINXDYPIC-UHFFFAOYSA-N 1 1 245.370 3.173 10 30 BGEEMO CC(C)[N@@H+](CCCCC#N)Cc1cccc(N)c1 ZINC000049578669 188298426 /nfs/dbraw/zinc/29/84/26/188298426.db2.gz RXJRIEJYDTWDGM-UHFFFAOYSA-N 1 1 245.370 3.173 10 30 BGEEMO CC(C)[N@@H+](CCCCC#N)Cc1ccccc1N ZINC000049578670 187270216 /nfs/dbraw/zinc/27/02/16/187270216.db2.gz DFBPDDZLTDGCDK-UHFFFAOYSA-N 1 1 245.370 3.173 10 30 BGEEMO C=CC[NH2+]CC(=O)c1cc(C(C)(C)C)ccc1C ZINC000049833848 166398362 /nfs/dbraw/zinc/39/83/62/166398362.db2.gz TUTNPEAZKCBKCC-UHFFFAOYSA-N 1 1 245.366 3.251 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050564782 177104457 /nfs/dbraw/zinc/10/44/57/177104457.db2.gz RMOWPULWRPDUKX-GZBLMMOJSA-N 1 1 234.387 3.435 10 30 BGEEMO C[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2C#N)[C@@H]1C ZINC000050564800 176103051 /nfs/dbraw/zinc/10/30/51/176103051.db2.gz FWSMFTWDUIMBQI-AAVRWANBSA-N 1 1 220.360 3.189 10 30 BGEEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000050564801 177104263 /nfs/dbraw/zinc/10/42/63/177104263.db2.gz FWSMFTWDUIMBQI-REWJHTLYSA-N 1 1 220.360 3.189 10 30 BGEEMO CC[N@@H+](CC1(C=O)CCCC1)C1CCCCC1 ZINC000051175079 169807615 /nfs/dbraw/zinc/80/76/15/169807615.db2.gz UWSMONZGIDGESJ-UHFFFAOYSA-N 1 1 237.387 3.400 10 30 BGEEMO C[C@@H]1C[C@H](C)C[N@H+](CC2(C=O)CCCCC2)C1 ZINC000051175129 177313777 /nfs/dbraw/zinc/31/37/77/177313777.db2.gz DQHRCZUDRVDSTH-OKILXGFUSA-N 1 1 237.387 3.114 10 30 BGEEMO CCC(C=O)(CC)C[N@@H+](C)Cc1ccccc1 ZINC000051175734 168311341 /nfs/dbraw/zinc/31/13/41/168311341.db2.gz DCJPAPSTQVDDNT-UHFFFAOYSA-N 1 1 233.355 3.124 10 30 BGEEMO CCC(C=O)(CC)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000051176154 168311236 /nfs/dbraw/zinc/31/12/36/168311236.db2.gz PEAWREIRMMFGKG-UHFFFAOYSA-N 1 1 247.382 3.432 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)C[C@@](C)(C=O)CC ZINC000051176300 169914729 /nfs/dbraw/zinc/91/47/29/169914729.db2.gz PHJSVMSRFJTDQI-HNNXBMFYSA-N 1 1 233.355 3.124 10 30 BGEEMO CCC[N@@H+](C[C@](C)(C=O)c1ccccc1)C1CC1 ZINC000051176631 169172753 /nfs/dbraw/zinc/17/27/53/169172753.db2.gz LOEGRLRTDHTNLW-MRXNPFEDSA-N 1 1 245.366 3.018 10 30 BGEEMO CC[N@@H+](CC1(C=O)CCCCC1)C1CCCC1 ZINC000051176862 169807753 /nfs/dbraw/zinc/80/77/53/169807753.db2.gz RRULRHRLNZEHCC-UHFFFAOYSA-N 1 1 237.387 3.400 10 30 BGEEMO CCC[C@@H](C)[N@@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000051177145 169364627 /nfs/dbraw/zinc/36/46/27/169364627.db2.gz VHVBPXCQVPVQIV-ZBFHGGJFSA-N 1 1 247.382 3.264 10 30 BGEEMO O=CC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000051177279 182849446 /nfs/dbraw/zinc/84/94/46/182849446.db2.gz IFFNYEMALYXWFJ-LSDHHAIUSA-N 1 1 249.398 3.258 10 30 BGEEMO C[C@@H]1CCC[N@@H+](CC2(C=O)CCCCC2)[C@@H]1C ZINC000051177420 176097180 /nfs/dbraw/zinc/09/71/80/176097180.db2.gz HYTSEOWFZUZIET-ZIAGYGMSSA-N 1 1 237.387 3.256 10 30 BGEEMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC1(C=O)CCCCC1 ZINC000051177422 177096839 /nfs/dbraw/zinc/09/68/39/177096839.db2.gz HYTSEOWFZUZIET-UONOGXRCSA-N 1 1 237.387 3.256 10 30 BGEEMO CC[C@@](C)(C=O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000051178329 171163924 /nfs/dbraw/zinc/16/39/24/171163924.db2.gz STUIDFJSJIGDQY-HUUCEWRRSA-N 1 1 237.387 3.256 10 30 BGEEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1(C=O)CCCC1 ZINC000051179176 176078907 /nfs/dbraw/zinc/07/89/07/176078907.db2.gz LYMVRVKDPOFIOP-KGLIPLIRSA-N 1 1 237.387 3.256 10 30 BGEEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1(C=O)CCCC1 ZINC000051179178 177081113 /nfs/dbraw/zinc/08/11/13/177081113.db2.gz LYMVRVKDPOFIOP-KBPBESRZSA-N 1 1 237.387 3.256 10 30 BGEEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1(C=O)CCCC1 ZINC000051179179 176086603 /nfs/dbraw/zinc/08/66/03/176086603.db2.gz LYMVRVKDPOFIOP-ZIAGYGMSSA-N 1 1 237.387 3.256 10 30 BGEEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC1(C=O)CCCC1 ZINC000051179181 177087109 /nfs/dbraw/zinc/08/71/09/177087109.db2.gz LYMVRVKDPOFIOP-UONOGXRCSA-N 1 1 237.387 3.256 10 30 BGEEMO CCC(C=O)(CC)C[N@@H+](C)Cc1ccccc1C ZINC000051179238 168310632 /nfs/dbraw/zinc/31/06/32/168310632.db2.gz OQQGWXBXCISEJB-UHFFFAOYSA-N 1 1 247.382 3.432 10 30 BGEEMO CCC(C=O)(CC)C[N@@H+](Cc1ccco1)C1CC1 ZINC000051204688 168311675 /nfs/dbraw/zinc/31/16/75/168311675.db2.gz PWKQJPHSPWXGIL-UHFFFAOYSA-N 1 1 249.354 3.249 10 30 BGEEMO CCC(C=O)(CC)C[N@@H+](C)Cc1cccc(C)c1 ZINC000051205129 168311538 /nfs/dbraw/zinc/31/15/38/168311538.db2.gz VPFVUUFWRDPJEC-UHFFFAOYSA-N 1 1 247.382 3.432 10 30 BGEEMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccccc1C#N ZINC000051731804 177165723 /nfs/dbraw/zinc/16/57/23/177165723.db2.gz ZVIZBNLHZXCTPO-QWHCGFSZSA-N 1 1 228.339 3.179 10 30 BGEEMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000051731817 177165973 /nfs/dbraw/zinc/16/59/73/177165973.db2.gz FQFWVFDDBHDQLG-QWHCGFSZSA-N 1 1 228.339 3.179 10 30 BGEEMO Cc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000051814227 358763350 /nfs/dbraw/zinc/76/33/50/358763350.db2.gz JCTGGGLPLYCTFB-CQSZACIVSA-N 1 1 239.318 3.290 10 30 BGEEMO Cc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000051814228 358762869 /nfs/dbraw/zinc/76/28/69/358762869.db2.gz JCTGGGLPLYCTFB-AWEZNQCLSA-N 1 1 239.318 3.290 10 30 BGEEMO Cc1[nH+]cn([C@@H]2CCCCC[C@@H]2C#N)c1C ZINC000051926969 180288798 /nfs/dbraw/zinc/28/87/98/180288798.db2.gz OIPWBEGDQCFUNC-CHWSQXEVSA-N 1 1 217.316 3.145 10 30 BGEEMO Cc1[nH+]cn([C@H]2CCCCC[C@@H]2C#N)c1C ZINC000051926970 180288604 /nfs/dbraw/zinc/28/86/04/180288604.db2.gz OIPWBEGDQCFUNC-OLZOCXBDSA-N 1 1 217.316 3.145 10 30 BGEEMO Cc1[nH+]cn([C@@H]2CCCCC[C@H]2C#N)c1C ZINC000051926971 180289252 /nfs/dbraw/zinc/28/92/52/180289252.db2.gz OIPWBEGDQCFUNC-QWHCGFSZSA-N 1 1 217.316 3.145 10 30 BGEEMO Cc1[nH+]cn([C@H]2CCCCC[C@H]2C#N)c1C ZINC000051926972 180289174 /nfs/dbraw/zinc/28/91/74/180289174.db2.gz OIPWBEGDQCFUNC-STQMWFEESA-N 1 1 217.316 3.145 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824525 358876200 /nfs/dbraw/zinc/87/62/00/358876200.db2.gz JAOCZZBDAMCFLT-DGCLKSJQSA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824526 358876176 /nfs/dbraw/zinc/87/61/76/358876176.db2.gz JAOCZZBDAMCFLT-YPMHNXCESA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824527 358876252 /nfs/dbraw/zinc/87/62/52/358876252.db2.gz JAOCZZBDAMCFLT-WCQYABFASA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000054824528 134772565 /nfs/dbraw/zinc/77/25/65/134772565.db2.gz JAOCZZBDAMCFLT-AAEUAGOBSA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824661 181067399 /nfs/dbraw/zinc/06/73/99/181067399.db2.gz DCRGYSSQGRJKJP-UKRRQHHQSA-N 1 1 246.329 3.388 10 30 BGEEMO N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824662 181067736 /nfs/dbraw/zinc/06/77/36/181067736.db2.gz DCRGYSSQGRJKJP-HIFRSBDPSA-N 1 1 246.329 3.388 10 30 BGEEMO N#C[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824663 181058248 /nfs/dbraw/zinc/05/82/48/181058248.db2.gz DCRGYSSQGRJKJP-DZGCQCFKSA-N 1 1 246.329 3.388 10 30 BGEEMO N#C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000054824664 181058587 /nfs/dbraw/zinc/05/85/87/181058587.db2.gz DCRGYSSQGRJKJP-ZFWWWQNUSA-N 1 1 246.329 3.388 10 30 BGEEMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826820 136372984 /nfs/dbraw/zinc/37/29/84/136372984.db2.gz KDBDKNOLTTYETR-ZKYQVNSYSA-N 1 1 232.302 3.169 10 30 BGEEMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826823 136373216 /nfs/dbraw/zinc/37/32/16/136373216.db2.gz KDBDKNOLTTYETR-SUHUHFCYSA-N 1 1 232.302 3.169 10 30 BGEEMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054826999 136372982 /nfs/dbraw/zinc/37/29/82/136372982.db2.gz KQXCMMMGCIWIHU-ZKYQVNSYSA-N 1 1 232.302 3.169 10 30 BGEEMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054827003 136373195 /nfs/dbraw/zinc/37/31/95/136373195.db2.gz KQXCMMMGCIWIHU-SUHUHFCYSA-N 1 1 232.302 3.169 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000054827928 178230706 /nfs/dbraw/zinc/23/07/06/178230706.db2.gz CGNBITCREQCGJR-MPKXVKKWSA-N 1 1 232.327 3.239 10 30 BGEEMO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000054827930 178253523 /nfs/dbraw/zinc/25/35/23/178253523.db2.gz CGNBITCREQCGJR-ZKYQVNSYSA-N 1 1 232.327 3.239 10 30 BGEEMO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000054827933 178232200 /nfs/dbraw/zinc/23/22/00/178232200.db2.gz CGNBITCREQCGJR-QKCSRTOESA-N 1 1 232.327 3.239 10 30 BGEEMO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000054827935 178258840 /nfs/dbraw/zinc/25/88/40/178258840.db2.gz CGNBITCREQCGJR-SUHUHFCYSA-N 1 1 232.327 3.239 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829974 136373201 /nfs/dbraw/zinc/37/32/01/136373201.db2.gz OOOKDFFLMBFAAY-DGCLKSJQSA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829977 136372934 /nfs/dbraw/zinc/37/29/34/136372934.db2.gz OOOKDFFLMBFAAY-YPMHNXCESA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829979 136373122 /nfs/dbraw/zinc/37/31/22/136373122.db2.gz OOOKDFFLMBFAAY-WCQYABFASA-N 1 1 234.730 3.122 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000054829982 136373167 /nfs/dbraw/zinc/37/31/67/136373167.db2.gz OOOKDFFLMBFAAY-AAEUAGOBSA-N 1 1 234.730 3.122 10 30 BGEEMO N#CC[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000055017485 181045116 /nfs/dbraw/zinc/04/51/16/181045116.db2.gz KEKVTVAVWUCKKS-OAHLLOKOSA-N 1 1 240.306 3.067 10 30 BGEEMO N#CC[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000055017493 181045798 /nfs/dbraw/zinc/04/57/98/181045798.db2.gz KEKVTVAVWUCKKS-HNNXBMFYSA-N 1 1 240.306 3.067 10 30 BGEEMO CC1(C)C[C@@H]1[NH2+][C@@H](CC#N)c1ccccc1 ZINC000055018812 187272004 /nfs/dbraw/zinc/27/20/04/187272004.db2.gz BHBWNRJGYQPOQB-STQMWFEESA-N 1 1 214.312 3.029 10 30 BGEEMO CC1CC[NH+]([C@@H](CC#N)c2ccccc2)CC1 ZINC000055019891 168185727 /nfs/dbraw/zinc/18/57/27/168185727.db2.gz VCBFDUSWDQTFOJ-HNNXBMFYSA-N 1 1 228.339 3.373 10 30 BGEEMO CC1CC[NH+]([C@H](CC#N)c2ccccc2)CC1 ZINC000055019893 168187093 /nfs/dbraw/zinc/18/70/93/168187093.db2.gz VCBFDUSWDQTFOJ-OAHLLOKOSA-N 1 1 228.339 3.373 10 30 BGEEMO C[C@@H]1CCC[N@H+]([C@@H](CC#N)c2ccccc2)C1 ZINC000055019916 176103159 /nfs/dbraw/zinc/10/31/59/176103159.db2.gz IJFVXENRDVCZGY-HIFRSBDPSA-N 1 1 228.339 3.373 10 30 BGEEMO C[C@H]1CCC[N@H+]([C@@H](CC#N)c2ccccc2)C1 ZINC000055019917 177104062 /nfs/dbraw/zinc/10/40/62/177104062.db2.gz IJFVXENRDVCZGY-ZFWWWQNUSA-N 1 1 228.339 3.373 10 30 BGEEMO C[C@@H]1CCC[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020240 176110806 /nfs/dbraw/zinc/11/08/06/176110806.db2.gz QPRBTMLQHNKFKN-OCCSQVGLSA-N 1 1 214.312 3.126 10 30 BGEEMO C[C@H]1CCC[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020242 177112311 /nfs/dbraw/zinc/11/23/11/177112311.db2.gz QPRBTMLQHNKFKN-JSGCOSHPSA-N 1 1 214.312 3.126 10 30 BGEEMO C[C@@H](C#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000057518297 132365783 /nfs/dbraw/zinc/36/57/83/132365783.db2.gz DEOITLLVHNJTEP-LBPRGKRZSA-N 1 1 229.327 3.001 10 30 BGEEMO C[C@H](C#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000057518299 132365957 /nfs/dbraw/zinc/36/59/57/132365957.db2.gz DEOITLLVHNJTEP-GFCCVEGCSA-N 1 1 229.327 3.001 10 30 BGEEMO N#CCCCNc1ccc([NH+]2CCCCC2)cc1 ZINC000058798401 132368449 /nfs/dbraw/zinc/36/84/49/132368449.db2.gz HXSABKXGTSUDFD-UHFFFAOYSA-N 1 1 243.354 3.393 10 30 BGEEMO CCC(CC)C[N@@H+](CC)Cc1cccnc1C#N ZINC000061664419 168351262 /nfs/dbraw/zinc/35/12/62/168351262.db2.gz FVCNSJSLLLNPJE-UHFFFAOYSA-N 1 1 245.370 3.211 10 30 BGEEMO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061891382 175293076 /nfs/dbraw/zinc/29/30/76/175293076.db2.gz AJQZEJGQTXSVSU-NJZAAPMLSA-N 1 1 244.338 3.038 10 30 BGEEMO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061891383 175288047 /nfs/dbraw/zinc/28/80/47/175288047.db2.gz AJQZEJGQTXSVSU-UXIGCNINSA-N 1 1 244.338 3.038 10 30 BGEEMO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061891384 175293593 /nfs/dbraw/zinc/29/35/93/175293593.db2.gz AJQZEJGQTXSVSU-LNSITVRQSA-N 1 1 244.338 3.038 10 30 BGEEMO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061891385 175288157 /nfs/dbraw/zinc/28/81/57/175288157.db2.gz AJQZEJGQTXSVSU-KYOSRNDESA-N 1 1 244.338 3.038 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000061891638 398107747 /nfs/dbraw/zinc/10/77/47/398107747.db2.gz GTTCFJROGRGOBX-TZMCWYRMSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000061891639 398107967 /nfs/dbraw/zinc/10/79/67/398107967.db2.gz GTTCFJROGRGOBX-OCCSQVGLSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000061891640 398108082 /nfs/dbraw/zinc/10/80/82/398108082.db2.gz GTTCFJROGRGOBX-GXTWGEPZSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000061891641 398108140 /nfs/dbraw/zinc/10/81/40/398108140.db2.gz GTTCFJROGRGOBX-JSGCOSHPSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000061891646 181069598 /nfs/dbraw/zinc/06/95/98/181069598.db2.gz NBAFAYPRKVPLOQ-PSASIEDQSA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000061891647 181068708 /nfs/dbraw/zinc/06/87/08/181068708.db2.gz NBAFAYPRKVPLOQ-SCZZXKLOSA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000061891648 181060941 /nfs/dbraw/zinc/06/09/41/181060941.db2.gz NBAFAYPRKVPLOQ-WCBMZHEXSA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000061891649 181060067 /nfs/dbraw/zinc/06/00/67/181060067.db2.gz NBAFAYPRKVPLOQ-WPRPVWTQSA-N 1 1 240.759 3.183 10 30 BGEEMO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891706 134804734 /nfs/dbraw/zinc/80/47/34/134804734.db2.gz ZJMCQKCLEAKJEP-TZMCWYRMSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891707 398107975 /nfs/dbraw/zinc/10/79/75/398107975.db2.gz ZJMCQKCLEAKJEP-OCCSQVGLSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891708 398107646 /nfs/dbraw/zinc/10/76/46/398107646.db2.gz ZJMCQKCLEAKJEP-GXTWGEPZSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891709 398108037 /nfs/dbraw/zinc/10/80/37/398108037.db2.gz ZJMCQKCLEAKJEP-JSGCOSHPSA-N 1 1 246.379 3.190 10 30 BGEEMO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000061892871 178032672 /nfs/dbraw/zinc/03/26/72/178032672.db2.gz QPWIHFVHBAUPNH-DGCLKSJQSA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000061892872 178040725 /nfs/dbraw/zinc/04/07/25/178040725.db2.gz QPWIHFVHBAUPNH-YPMHNXCESA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(C)s1 ZINC000061892873 178034210 /nfs/dbraw/zinc/03/42/10/178034210.db2.gz QPWIHFVHBAUPNH-WCQYABFASA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)c(C)s1 ZINC000061892874 178039728 /nfs/dbraw/zinc/03/97/28/178039728.db2.gz QPWIHFVHBAUPNH-AAEUAGOBSA-N 1 1 234.368 3.147 10 30 BGEEMO N#C[C@@H]([NH3+])CCn1c2ccccc2c2ccccc21 ZINC000062440250 181055686 /nfs/dbraw/zinc/05/56/86/181055686.db2.gz UPXTWWALHSOXQQ-LBPRGKRZSA-N 1 1 249.317 3.035 10 30 BGEEMO N#C[C@H]([NH3+])CCn1c2ccccc2c2ccccc21 ZINC000062440253 181064530 /nfs/dbraw/zinc/06/45/30/181064530.db2.gz UPXTWWALHSOXQQ-GFCCVEGCSA-N 1 1 249.317 3.035 10 30 BGEEMO N#CCC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000062619761 188223850 /nfs/dbraw/zinc/22/38/50/188223850.db2.gz VFLOTQJCJBZKSG-MQVJKMGUSA-N 1 1 240.350 3.343 10 30 BGEEMO [NH2+]=C(Nc1ccc(F)cc1F)c1ccccc1 ZINC000062989214 181182215 /nfs/dbraw/zinc/18/22/15/181182215.db2.gz KTQHZYYEXMZMLO-UHFFFAOYSA-N 1 1 232.233 3.002 10 30 BGEEMO CC[C@@H](C#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000062995861 535396542 /nfs/dbraw/zinc/39/65/42/535396542.db2.gz KXSBRJWCOHPCBB-ZDUSSCGKSA-N 1 1 243.354 3.391 10 30 BGEEMO CC[C@H](C#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000062995862 132388781 /nfs/dbraw/zinc/38/87/81/132388781.db2.gz KXSBRJWCOHPCBB-CYBMUJFWSA-N 1 1 243.354 3.391 10 30 BGEEMO C[C@@H](CC#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000062995952 132388567 /nfs/dbraw/zinc/38/85/67/132388567.db2.gz QPDBFRSXUJQEKM-ZDUSSCGKSA-N 1 1 243.354 3.391 10 30 BGEEMO C[C@H](CC#N)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000062995953 132388725 /nfs/dbraw/zinc/38/87/25/132388725.db2.gz QPDBFRSXUJQEKM-CYBMUJFWSA-N 1 1 243.354 3.391 10 30 BGEEMO CCCCCCCCCC[C@H]([NH3+])C(=O)OC ZINC000064437055 385820083 /nfs/dbraw/zinc/82/00/83/385820083.db2.gz RVTLMGSZWNZFCA-LBPRGKRZSA-N 1 1 229.364 3.018 10 30 BGEEMO CCCCCCCCCC[C@@H]([NH3+])C(=O)OC ZINC000064437057 385820374 /nfs/dbraw/zinc/82/03/74/385820374.db2.gz RVTLMGSZWNZFCA-GFCCVEGCSA-N 1 1 229.364 3.018 10 30 BGEEMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000067230582 370645838 /nfs/dbraw/zinc/64/58/38/370645838.db2.gz ASJHTSMDLMAEBM-OAHLLOKOSA-N 1 1 245.366 3.415 10 30 BGEEMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000067230583 370645624 /nfs/dbraw/zinc/64/56/24/370645624.db2.gz ASJHTSMDLMAEBM-HNNXBMFYSA-N 1 1 245.366 3.415 10 30 BGEEMO C#CCCNc1ccc([NH+]2CCCCC2)cc1 ZINC000070160791 533068460 /nfs/dbraw/zinc/06/84/60/533068460.db2.gz SDSUBWSMHPXJJC-UHFFFAOYSA-N 1 1 228.339 3.112 10 30 BGEEMO C[C@@H](CC#N)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000071203021 135019001 /nfs/dbraw/zinc/01/90/01/135019001.db2.gz FHNHCSWFKMKSRD-STQMWFEESA-N 1 1 222.376 3.437 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075060 353331181 /nfs/dbraw/zinc/33/11/81/353331181.db2.gz OPUDPSXKRYKXGG-CVEARBPZSA-N 1 1 245.366 3.151 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075064 353330808 /nfs/dbraw/zinc/33/08/08/353330808.db2.gz OPUDPSXKRYKXGG-HOTGVXAUSA-N 1 1 245.366 3.151 10 30 BGEEMO C=CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075489 353330814 /nfs/dbraw/zinc/33/08/14/353330814.db2.gz MFVZPDLGWJVVSV-CVEARBPZSA-N 1 1 245.366 3.151 10 30 BGEEMO C=CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075491 353330768 /nfs/dbraw/zinc/33/07/68/353330768.db2.gz MFVZPDLGWJVVSV-HOTGVXAUSA-N 1 1 245.366 3.151 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332788 384637915 /nfs/dbraw/zinc/63/79/15/384637915.db2.gz VLDLPWLODPVIMD-LDYMZIIASA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332789 384640518 /nfs/dbraw/zinc/64/05/18/384640518.db2.gz VLDLPWLODPVIMD-KCJUWKMLSA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332790 384640231 /nfs/dbraw/zinc/64/02/31/384640231.db2.gz VLDLPWLODPVIMD-GZMMTYOYSA-N 1 1 240.759 3.183 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000086332792 384640741 /nfs/dbraw/zinc/64/07/41/384640741.db2.gz VLDLPWLODPVIMD-KWQFWETISA-N 1 1 240.759 3.183 10 30 BGEEMO CC(C)C[N@@H+](CCC#N)C[C@@H]1Cc2ccccc21 ZINC000090976996 644609224 /nfs/dbraw/zinc/60/92/24/644609224.db2.gz YLRAJKFEOFCHQL-HNNXBMFYSA-N 1 1 242.366 3.198 10 30 BGEEMO CC(C)C[N@@H+](CCC#N)C[C@H]1Cc2ccccc21 ZINC000090976997 644608865 /nfs/dbraw/zinc/60/88/65/644608865.db2.gz YLRAJKFEOFCHQL-OAHLLOKOSA-N 1 1 242.366 3.198 10 30 BGEEMO N#C[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000091304600 181069976 /nfs/dbraw/zinc/06/99/76/181069976.db2.gz AZJDDEMTCSSXFD-HZPDHXFCSA-N 1 1 240.350 3.202 10 30 BGEEMO N#C[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000091304601 181069269 /nfs/dbraw/zinc/06/92/69/181069269.db2.gz AZJDDEMTCSSXFD-CVEARBPZSA-N 1 1 240.350 3.202 10 30 BGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335136 371156364 /nfs/dbraw/zinc/15/63/64/371156364.db2.gz OVFBJEUZNZYSFT-ZDUSSCGKSA-N 1 1 242.278 3.081 10 30 BGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335136 371156356 /nfs/dbraw/zinc/15/63/56/371156356.db2.gz OVFBJEUZNZYSFT-ZDUSSCGKSA-N 1 1 242.278 3.081 10 30 BGEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335137 371156168 /nfs/dbraw/zinc/15/61/68/371156168.db2.gz OVFBJEUZNZYSFT-CYBMUJFWSA-N 1 1 242.278 3.081 10 30 BGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335137 371156163 /nfs/dbraw/zinc/15/61/63/371156163.db2.gz OVFBJEUZNZYSFT-CYBMUJFWSA-N 1 1 242.278 3.081 10 30 BGEEMO SCC1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000095078996 188145639 /nfs/dbraw/zinc/14/56/39/188145639.db2.gz SHSJNUCRHVBQKH-UHFFFAOYSA-N 1 1 247.407 3.219 10 30 BGEEMO SCC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095079022 384354846 /nfs/dbraw/zinc/35/48/46/384354846.db2.gz VRXKAHREFJPANC-CQSZACIVSA-N 1 1 235.396 3.219 10 30 BGEEMO SCC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095079023 384356279 /nfs/dbraw/zinc/35/62/79/384356279.db2.gz VRXKAHREFJPANC-AWEZNQCLSA-N 1 1 235.396 3.219 10 30 BGEEMO CC(C)[N@H+]1CCC2(C1)CCC(CS)CC2 ZINC000095088227 384361296 /nfs/dbraw/zinc/36/12/96/384361296.db2.gz KWQRCQXYVWMBBB-UHFFFAOYSA-N 1 1 227.417 3.207 10 30 BGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1S ZINC000095090649 177265950 /nfs/dbraw/zinc/26/59/50/177265950.db2.gz BRPHQTWLZRAHAB-ONXXMXGDSA-N 1 1 235.396 3.073 10 30 BGEEMO C=CCSC1=[NH+]C(C)(C)C=C(C)N1CC ZINC000100263073 386174093 /nfs/dbraw/zinc/17/40/93/386174093.db2.gz POLCNNDZNBBISR-UHFFFAOYSA-N 1 1 224.373 3.280 10 30 BGEEMO CCCCCCC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000102942397 168657873 /nfs/dbraw/zinc/65/78/73/168657873.db2.gz KHRABZLSGWLUNO-CQSZACIVSA-N 1 1 243.391 3.278 10 30 BGEEMO CCCCCCC[N@@H+](CCC#N)C1CC1 ZINC000104084208 188161042 /nfs/dbraw/zinc/16/10/42/188161042.db2.gz AWAOREHMBCNAMH-UHFFFAOYSA-N 1 1 208.349 3.335 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+]2CCC[C@@H](C)CC2)C1 ZINC000104347531 176103172 /nfs/dbraw/zinc/10/31/72/176103172.db2.gz CYQLNOSBOUDZFP-KBUPBQIOSA-N 1 1 234.387 3.437 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000104353813 176218815 /nfs/dbraw/zinc/21/88/15/176218815.db2.gz LPVLFHWMKKJNDF-BPLDGKMQSA-N 1 1 234.387 3.437 10 30 BGEEMO C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000104353818 176194791 /nfs/dbraw/zinc/19/47/91/176194791.db2.gz LPVLFHWMKKJNDF-VHDGCEQUSA-N 1 1 234.387 3.437 10 30 BGEEMO CC[C@@H]1CC[C@H](C#N)[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406705 171046309 /nfs/dbraw/zinc/04/63/09/171046309.db2.gz PTXGKCSNTJKACD-VYDRJRHOSA-N 1 1 234.387 3.293 10 30 BGEEMO CCCCCCC[N@@H+](CCN)Cc1ccccc1 ZINC000104783353 520051695 /nfs/dbraw/zinc/05/16/95/520051695.db2.gz JNKHUKAQOSACEZ-UHFFFAOYSA-N 1 1 248.414 3.418 10 30 BGEEMO CCCCCCC[N@H+](CCN)Cc1ccccc1 ZINC000104783353 520051690 /nfs/dbraw/zinc/05/16/90/520051690.db2.gz JNKHUKAQOSACEZ-UHFFFAOYSA-N 1 1 248.414 3.418 10 30 BGEEMO CCCCCCC[N@H+]1CCC[C@@H]1CCCO ZINC000107205914 588341949 /nfs/dbraw/zinc/34/19/49/588341949.db2.gz QHZDAJHRUHTCJR-CQSZACIVSA-N 1 1 227.392 3.194 10 30 BGEEMO CCCCCCC[N@H+]1CCC[C@H]1CCCO ZINC000107205919 588342104 /nfs/dbraw/zinc/34/21/04/588342104.db2.gz QHZDAJHRUHTCJR-AWEZNQCLSA-N 1 1 227.392 3.194 10 30 BGEEMO C/[NH+]=C1\CC(SC)=C1c1ccccc1 ZINC000108815224 187461520 /nfs/dbraw/zinc/46/15/20/187461520.db2.gz KPTFNUNIGKLKHE-JLHYYAGUSA-N 1 1 203.310 3.235 10 30 BGEEMO C#CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000113272769 588828662 /nfs/dbraw/zinc/82/86/62/588828662.db2.gz VZMSUFGKURFIRR-NSHDSACASA-N 1 1 221.731 3.356 10 30 BGEEMO C#CCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000113272771 588828632 /nfs/dbraw/zinc/82/86/32/588828632.db2.gz VZMSUFGKURFIRR-LLVKDONJSA-N 1 1 221.731 3.356 10 30 BGEEMO N#CCCCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116287683 134217125 /nfs/dbraw/zinc/21/71/25/134217125.db2.gz GWRGQWNJDGMOTG-LBPRGKRZSA-N 1 1 218.300 3.110 10 30 BGEEMO N#CCCCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116287686 134216982 /nfs/dbraw/zinc/21/69/82/134216982.db2.gz GWRGQWNJDGMOTG-GFCCVEGCSA-N 1 1 218.300 3.110 10 30 BGEEMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404746 358451271 /nfs/dbraw/zinc/45/12/71/358451271.db2.gz XQEXVQYPGBNDNO-SNVBAGLBSA-N 1 1 211.692 3.169 10 30 BGEEMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404746 358451268 /nfs/dbraw/zinc/45/12/68/358451268.db2.gz XQEXVQYPGBNDNO-SNVBAGLBSA-N 1 1 211.692 3.169 10 30 BGEEMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404749 358451215 /nfs/dbraw/zinc/45/12/15/358451215.db2.gz XQEXVQYPGBNDNO-JTQLQIEISA-N 1 1 211.692 3.169 10 30 BGEEMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404749 358451213 /nfs/dbraw/zinc/45/12/13/358451213.db2.gz XQEXVQYPGBNDNO-JTQLQIEISA-N 1 1 211.692 3.169 10 30 BGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C)C1 ZINC000118397629 177273598 /nfs/dbraw/zinc/27/35/98/177273598.db2.gz UBZZWUNWPOMSIN-RYUDHWBXSA-N 1 1 246.379 3.057 10 30 BGEEMO CCCCCCCCC[N@H+]1CC[C@H](CCO)C1 ZINC000124324491 589976390 /nfs/dbraw/zinc/97/63/90/589976390.db2.gz NOTFDTVNXGGLFC-OAHLLOKOSA-N 1 1 241.419 3.441 10 30 BGEEMO CCCCCCCCC[N@H+]1CC[C@@H](CCO)C1 ZINC000124324775 589976595 /nfs/dbraw/zinc/97/65/95/589976595.db2.gz NOTFDTVNXGGLFC-HNNXBMFYSA-N 1 1 241.419 3.441 10 30 BGEEMO C=CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124613326 386657850 /nfs/dbraw/zinc/65/78/50/386657850.db2.gz SVLWEXSQWZVSAG-LBPRGKRZSA-N 1 1 205.301 3.301 10 30 BGEEMO C=CC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124613500 358520490 /nfs/dbraw/zinc/52/04/90/358520490.db2.gz SVLWEXSQWZVSAG-GFCCVEGCSA-N 1 1 205.301 3.301 10 30 BGEEMO CC#CC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124676217 358522699 /nfs/dbraw/zinc/52/26/99/358522699.db2.gz MQIHDBBRCMVGHP-CYBMUJFWSA-N 1 1 217.312 3.138 10 30 BGEEMO CC#CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124676427 358522739 /nfs/dbraw/zinc/52/27/39/358522739.db2.gz MQIHDBBRCMVGHP-ZDUSSCGKSA-N 1 1 217.312 3.138 10 30 BGEEMO Cc1ccc([C@@H]2CCCC[N@H+]2CCCC#N)o1 ZINC000124738041 345050498 /nfs/dbraw/zinc/05/04/98/345050498.db2.gz AHIHGWHPWGHDRH-ZDUSSCGKSA-N 1 1 232.327 3.419 10 30 BGEEMO Cc1ccc([C@H]2CCCC[N@H+]2CCCC#N)o1 ZINC000124738244 345050816 /nfs/dbraw/zinc/05/08/16/345050816.db2.gz AHIHGWHPWGHDRH-CYBMUJFWSA-N 1 1 232.327 3.419 10 30 BGEEMO C#CC[N@@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000124904630 590098205 /nfs/dbraw/zinc/09/82/05/590098205.db2.gz YZGRCVIDDWGBSZ-ZDUSSCGKSA-N 1 1 217.312 3.002 10 30 BGEEMO C#CC[N@@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124904774 590098292 /nfs/dbraw/zinc/09/82/92/590098292.db2.gz YZGRCVIDDWGBSZ-CYBMUJFWSA-N 1 1 217.312 3.002 10 30 BGEEMO C#CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127821329 385930267 /nfs/dbraw/zinc/93/02/67/385930267.db2.gz MLDDFUKUWNTRHB-GFCCVEGCSA-N 1 1 248.395 3.079 10 30 BGEEMO C#CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127821544 353276623 /nfs/dbraw/zinc/27/66/23/353276623.db2.gz MLDDFUKUWNTRHB-LBPRGKRZSA-N 1 1 248.395 3.079 10 30 BGEEMO C#C[C@H]([NH2+]CC)c1cccc(Cl)c1Cl ZINC000130230203 358967699 /nfs/dbraw/zinc/96/76/99/358967699.db2.gz YTTZSXAQSPTWTF-JTQLQIEISA-N 1 1 228.122 3.277 10 30 BGEEMO C#C[C@@H]([NH2+]CC)c1cccc(Cl)c1Cl ZINC000130230466 358967467 /nfs/dbraw/zinc/96/74/67/358967467.db2.gz YTTZSXAQSPTWTF-SNVBAGLBSA-N 1 1 228.122 3.277 10 30 BGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000130985151 358655456 /nfs/dbraw/zinc/65/54/56/358655456.db2.gz ISWPDQUARSQJIZ-BXUZGUMPSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000130985323 358655657 /nfs/dbraw/zinc/65/56/57/358655657.db2.gz ISWPDQUARSQJIZ-RISCZKNCSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000130985525 358655632 /nfs/dbraw/zinc/65/56/32/358655632.db2.gz ISWPDQUARSQJIZ-SMDDNHRTSA-N 1 1 240.306 3.215 10 30 BGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000130985726 358655616 /nfs/dbraw/zinc/65/56/16/358655616.db2.gz ISWPDQUARSQJIZ-FZMZJTMJSA-N 1 1 240.306 3.215 10 30 BGEEMO C=CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2[C@H](CC)C1 ZINC000141219221 397984259 /nfs/dbraw/zinc/98/42/59/397984259.db2.gz CYKLFLCMPFHCGP-LLVKDONJSA-N 1 1 246.310 3.090 10 30 BGEEMO C=CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2[C@@H](CC)C1 ZINC000141219422 345860151 /nfs/dbraw/zinc/86/01/51/345860151.db2.gz CYKLFLCMPFHCGP-NSHDSACASA-N 1 1 246.310 3.090 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@@H]1c1cccc(C#N)c1 ZINC000141362014 372932204 /nfs/dbraw/zinc/93/22/04/372932204.db2.gz NMWVWNGMMFJMAH-KRWDZBQOSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@H]1c1cccc(C#N)c1 ZINC000141362203 343093195 /nfs/dbraw/zinc/09/31/95/343093195.db2.gz NMWVWNGMMFJMAH-QGZVFWFLSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1C#N ZINC000141363268 372932472 /nfs/dbraw/zinc/93/24/72/372932472.db2.gz FIWUTBVXARLJTG-QGZVFWFLSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1C#N ZINC000141363268 372932465 /nfs/dbraw/zinc/93/24/65/372932465.db2.gz FIWUTBVXARLJTG-QGZVFWFLSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1C#N ZINC000141363447 343093337 /nfs/dbraw/zinc/09/33/37/343093337.db2.gz FIWUTBVXARLJTG-KRWDZBQOSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1C#N ZINC000141363447 343093336 /nfs/dbraw/zinc/09/33/36/343093336.db2.gz FIWUTBVXARLJTG-KRWDZBQOSA-N 1 1 248.329 3.136 10 30 BGEEMO C=CC[N@H+](C)CCCCOc1ccc(NC)cc1 ZINC000144142498 342702514 /nfs/dbraw/zinc/70/25/14/342702514.db2.gz BGOYKPUIJVMJQH-UHFFFAOYSA-N 1 1 248.370 3.005 10 30 BGEEMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cccc(F)c1 ZINC000147759627 136273622 /nfs/dbraw/zinc/27/36/22/136273622.db2.gz KQXCMMMGCIWIHU-VHRBIJSZSA-N 1 1 232.302 3.169 10 30 BGEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cccc(F)c1 ZINC000147759823 136273337 /nfs/dbraw/zinc/27/33/37/136273337.db2.gz KQXCMMMGCIWIHU-JKOKRWQUSA-N 1 1 232.302 3.169 10 30 BGEEMO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000148338517 384465098 /nfs/dbraw/zinc/46/50/98/384465098.db2.gz AJQZEJGQTXSVSU-CORIIIEPSA-N 1 1 244.338 3.038 10 30 BGEEMO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000148338730 384465956 /nfs/dbraw/zinc/46/59/56/384465956.db2.gz AJQZEJGQTXSVSU-WHOFXGATSA-N 1 1 244.338 3.038 10 30 BGEEMO CC#CCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000155332524 191080783 /nfs/dbraw/zinc/08/07/83/191080783.db2.gz QZFZDZHXGNEKHB-GFCCVEGCSA-N 1 1 234.368 3.084 10 30 BGEEMO CC#CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000155332524 191080780 /nfs/dbraw/zinc/08/07/80/191080780.db2.gz QZFZDZHXGNEKHB-GFCCVEGCSA-N 1 1 234.368 3.084 10 30 BGEEMO CC#CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000155332628 384712478 /nfs/dbraw/zinc/71/24/78/384712478.db2.gz QZFZDZHXGNEKHB-LBPRGKRZSA-N 1 1 234.368 3.084 10 30 BGEEMO CC#CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000155332628 384712471 /nfs/dbraw/zinc/71/24/71/384712471.db2.gz QZFZDZHXGNEKHB-LBPRGKRZSA-N 1 1 234.368 3.084 10 30 BGEEMO CC#CCC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000155332965 345076800 /nfs/dbraw/zinc/07/68/00/345076800.db2.gz ZYWRRTDCBOTVAH-ZDUSSCGKSA-N 1 1 248.395 3.044 10 30 BGEEMO CCCCCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000158415955 345331539 /nfs/dbraw/zinc/33/15/39/345331539.db2.gz LJJBLTOUOHZVOA-AWEZNQCLSA-N 1 1 249.402 3.180 10 30 BGEEMO CCCCCCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000158416111 345331686 /nfs/dbraw/zinc/33/16/86/345331686.db2.gz LJJBLTOUOHZVOA-CQSZACIVSA-N 1 1 249.402 3.180 10 30 BGEEMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159866954 345573843 /nfs/dbraw/zinc/57/38/43/345573843.db2.gz KDBDKNOLTTYETR-VHRBIJSZSA-N 1 1 232.302 3.169 10 30 BGEEMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159867087 345573675 /nfs/dbraw/zinc/57/36/75/345573675.db2.gz KDBDKNOLTTYETR-JKOKRWQUSA-N 1 1 232.302 3.169 10 30 BGEEMO CC#CC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000160581342 357090118 /nfs/dbraw/zinc/09/01/18/357090118.db2.gz XIPPRWXUVPHIQY-UHFFFAOYSA-N 1 1 228.122 3.106 10 30 BGEEMO C=C(Cl)CNc1cc[nH+]cc1Br ZINC000161127543 363106199 /nfs/dbraw/zinc/10/61/99/363106199.db2.gz SSLFJGLVKSZWAY-UHFFFAOYSA-N 1 1 247.523 3.009 10 30 BGEEMO CCCCCCCC[N@H+]1CC[C@H](CCO)C1 ZINC000161587198 632096087 /nfs/dbraw/zinc/09/60/87/632096087.db2.gz PLOSJHVKRJIMME-CQSZACIVSA-N 1 1 227.392 3.051 10 30 BGEEMO CCCCCCCC[N@H+]1CC[C@@H](CCO)C1 ZINC000161587339 632096492 /nfs/dbraw/zinc/09/64/92/632096492.db2.gz PLOSJHVKRJIMME-AWEZNQCLSA-N 1 1 227.392 3.051 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@@H]1c1ccc(C#N)cc1 ZINC000165560868 343557726 /nfs/dbraw/zinc/55/77/26/343557726.db2.gz CYBXQWHOUVLSEF-KRWDZBQOSA-N 1 1 248.329 3.136 10 30 BGEEMO C[N@H+]1CCc2ccccc2[C@H]1c1ccc(C#N)cc1 ZINC000165561000 343557511 /nfs/dbraw/zinc/55/75/11/343557511.db2.gz CYBXQWHOUVLSEF-QGZVFWFLSA-N 1 1 248.329 3.136 10 30 BGEEMO C[C@@H]1CC[C@H]([NH2+]CCC#N)c2ccccc21 ZINC000167396928 344078018 /nfs/dbraw/zinc/07/80/18/344078018.db2.gz DJYMSYVLTHXVEW-RISCZKNCSA-N 1 1 214.312 3.128 10 30 BGEEMO C[C@H]1CC[C@H]([NH2+]CCC#N)c2ccccc21 ZINC000167397031 364793212 /nfs/dbraw/zinc/79/32/12/364793212.db2.gz DJYMSYVLTHXVEW-FZMZJTMJSA-N 1 1 214.312 3.128 10 30 BGEEMO C[C@@H]1CC[C@@H]([NH2+]CCC#N)c2ccccc21 ZINC000167397140 346707769 /nfs/dbraw/zinc/70/77/69/346707769.db2.gz DJYMSYVLTHXVEW-BXUZGUMPSA-N 1 1 214.312 3.128 10 30 BGEEMO C[C@H]1CC[C@@H]([NH2+]CCC#N)c2ccccc21 ZINC000167397252 364793033 /nfs/dbraw/zinc/79/30/33/364793033.db2.gz DJYMSYVLTHXVEW-SMDDNHRTSA-N 1 1 214.312 3.128 10 30 BGEEMO N#CCCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000171037211 385464904 /nfs/dbraw/zinc/46/49/04/385464904.db2.gz BXALDPUDBDHTKO-LBPRGKRZSA-N 1 1 249.383 3.364 10 30 BGEEMO N#CCCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000171037215 385463427 /nfs/dbraw/zinc/46/34/27/385463427.db2.gz BXALDPUDBDHTKO-GFCCVEGCSA-N 1 1 249.383 3.364 10 30 BGEEMO C=C(C)C[N@H+](C)Cc1ccc2ccccc2n1 ZINC000181252131 134334491 /nfs/dbraw/zinc/33/44/91/134334491.db2.gz TZBRRMVVJKDPCK-UHFFFAOYSA-N 1 1 226.323 3.243 10 30 BGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)C1 ZINC000187675772 177274159 /nfs/dbraw/zinc/27/41/59/177274159.db2.gz SKGJWDPIHIOYEL-RYUDHWBXSA-N 1 1 246.379 3.057 10 30 BGEEMO C=CCCCCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000193325346 357882078 /nfs/dbraw/zinc/88/20/78/357882078.db2.gz ITJYKIBABFNDSW-UHFFFAOYSA-N 1 1 247.386 3.336 10 30 BGEEMO C=CCCCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000193333346 386546349 /nfs/dbraw/zinc/54/63/49/386546349.db2.gz ZJBTWBZJDAWFTL-HNNXBMFYSA-N 1 1 247.386 3.303 10 30 BGEEMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000193333358 386546637 /nfs/dbraw/zinc/54/66/37/386546637.db2.gz ZJBTWBZJDAWFTL-OAHLLOKOSA-N 1 1 247.386 3.303 10 30 BGEEMO C=CCCCCC[N@H+]1CCS[C@H](C)C1 ZINC000193333962 388700312 /nfs/dbraw/zinc/70/03/12/388700312.db2.gz KPOVUQHKQKMBMX-GFCCVEGCSA-N 1 1 213.390 3.170 10 30 BGEEMO C=CCCCCC[N@H+]1CCS[C@@H](C)C1 ZINC000193333970 388700933 /nfs/dbraw/zinc/70/09/33/388700933.db2.gz KPOVUQHKQKMBMX-LBPRGKRZSA-N 1 1 213.390 3.170 10 30 BGEEMO C=CC[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377417 387913149 /nfs/dbraw/zinc/91/31/49/387913149.db2.gz IGSBCZGRQBBTDI-LLVKDONJSA-N 1 1 236.384 3.071 10 30 BGEEMO C=CC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377421 387912892 /nfs/dbraw/zinc/91/28/92/387912892.db2.gz IGSBCZGRQBBTDI-NSHDSACASA-N 1 1 236.384 3.071 10 30 BGEEMO C=C(C)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440123 387916482 /nfs/dbraw/zinc/91/64/82/387916482.db2.gz GWDGPCBWGLXKER-LLVKDONJSA-N 1 1 222.357 3.246 10 30 BGEEMO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195440123 387916478 /nfs/dbraw/zinc/91/64/78/387916478.db2.gz GWDGPCBWGLXKER-LLVKDONJSA-N 1 1 222.357 3.246 10 30 BGEEMO C=C(C)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195440131 387915001 /nfs/dbraw/zinc/91/50/01/387915001.db2.gz GWDGPCBWGLXKER-NSHDSACASA-N 1 1 222.357 3.246 10 30 BGEEMO C=C(C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195440131 387914995 /nfs/dbraw/zinc/91/49/95/387914995.db2.gz GWDGPCBWGLXKER-NSHDSACASA-N 1 1 222.357 3.246 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195441195 387916714 /nfs/dbraw/zinc/91/67/14/387916714.db2.gz GRILBPJRDVBVMI-GFCCVEGCSA-N 1 1 236.384 3.207 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441202 387917082 /nfs/dbraw/zinc/91/70/82/387917082.db2.gz GRILBPJRDVBVMI-LBPRGKRZSA-N 1 1 236.384 3.207 10 30 BGEEMO C=CC[N@@H+]1CCC[C@](C)(c2cccc(OC)c2)C1 ZINC000196173302 347817317 /nfs/dbraw/zinc/81/73/17/347817317.db2.gz VKUGYFLBYVDJFD-INIZCTEOSA-N 1 1 245.366 3.235 10 30 BGEEMO C=CC[N@@H+]1CCC[C@@](C)(c2cccc(OC)c2)C1 ZINC000196173308 347817421 /nfs/dbraw/zinc/81/74/21/347817421.db2.gz VKUGYFLBYVDJFD-MRXNPFEDSA-N 1 1 245.366 3.235 10 30 BGEEMO C(=[NH+]/CCc1cccs1)\c1ccccc1 ZINC000200384414 347808244 /nfs/dbraw/zinc/80/82/44/347808244.db2.gz WMYISDCBMGJGMJ-SDNWHVSQSA-N 1 1 215.321 3.410 10 30 BGEEMO CCC(=[NH2+])Nc1c(F)cc(F)cc1Cl ZINC000215830065 371640079 /nfs/dbraw/zinc/64/00/79/371640079.db2.gz XMMWFOOGRBLSMI-UHFFFAOYSA-N 1 1 218.634 3.017 10 30 BGEEMO C[C@@H]1CC[C@@H](C#N)[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000222176211 350142767 /nfs/dbraw/zinc/14/27/67/350142767.db2.gz NISDYJPYZQQQFN-KBMXLJTQSA-N 1 1 242.366 3.447 10 30 BGEEMO C[C@@H]1CC[C@H](C#N)[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000222176322 350143075 /nfs/dbraw/zinc/14/30/75/350143075.db2.gz NISDYJPYZQQQFN-BMFZPTHFSA-N 1 1 242.366 3.447 10 30 BGEEMO C=CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccccc2)C[C@H]1C ZINC000225220161 368417416 /nfs/dbraw/zinc/41/74/16/368417416.db2.gz RBTRFNVMOGYJFF-FMKPAKJESA-N 1 1 244.382 3.383 10 30 BGEEMO CCCC/[NH+]=C/c1cccc2ncccc12 ZINC000225782649 368417677 /nfs/dbraw/zinc/41/76/77/368417677.db2.gz XBRPRQSUDGCKFS-RVDMUPIBSA-N 1 1 212.296 3.454 10 30 BGEEMO C[C@@H](CC#N)[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227210679 134376443 /nfs/dbraw/zinc/37/64/43/134376443.db2.gz FHNHCSWFKMKSRD-QWHCGFSZSA-N 1 1 222.376 3.437 10 30 BGEEMO C[C@H](CC#N)[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227210682 134376240 /nfs/dbraw/zinc/37/62/40/134376240.db2.gz FHNHCSWFKMKSRD-CHWSQXEVSA-N 1 1 222.376 3.437 10 30 BGEEMO C[C@@H]1CC[N@@H+](CC(C)(C)CS)[C@@H](C)C1 ZINC000227245931 371815419 /nfs/dbraw/zinc/81/54/19/371815419.db2.gz BWPQVUKUVNPRQP-MNOVXSKESA-N 1 1 215.406 3.063 10 30 BGEEMO C[C@H]1CC[N@@H+](CC(C)(C)CS)[C@@H](C)C1 ZINC000227245938 371815199 /nfs/dbraw/zinc/81/51/99/371815199.db2.gz BWPQVUKUVNPRQP-QWRGUYRKSA-N 1 1 215.406 3.063 10 30 BGEEMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]32)cc1 ZINC000229105792 181105084 /nfs/dbraw/zinc/10/50/84/181105084.db2.gz SIMDMVLJHBIOHH-HZPDHXFCSA-N 1 1 240.350 3.323 10 30 BGEEMO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000231901263 259328971 /nfs/dbraw/zinc/32/89/71/259328971.db2.gz FPBOAMGSLGMSRG-BXUZGUMPSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000231901264 259329012 /nfs/dbraw/zinc/32/90/12/259329012.db2.gz FPBOAMGSLGMSRG-RISCZKNCSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000231901269 388844122 /nfs/dbraw/zinc/84/41/22/388844122.db2.gz FPBOAMGSLGMSRG-SMDDNHRTSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000231901272 388844409 /nfs/dbraw/zinc/84/44/09/388844409.db2.gz FPBOAMGSLGMSRG-FZMZJTMJSA-N 1 1 248.757 3.430 10 30 BGEEMO C=CCCCCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000232577507 641306685 /nfs/dbraw/zinc/30/66/85/641306685.db2.gz LIVTWSUJVJBEQA-CQSZACIVSA-N 1 1 223.360 3.034 10 30 BGEEMO C=CCCCCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000232614749 641306638 /nfs/dbraw/zinc/30/66/38/641306638.db2.gz LIVTWSUJVJBEQA-AWEZNQCLSA-N 1 1 223.360 3.034 10 30 BGEEMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCS1 ZINC000235586513 357881149 /nfs/dbraw/zinc/88/11/49/357881149.db2.gz FBNIRXWGUAAWOD-LBPRGKRZSA-N 1 1 240.416 3.144 10 30 BGEEMO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000235855336 398117152 /nfs/dbraw/zinc/11/71/52/398117152.db2.gz IKUJIQQYBBGJAN-TZMCWYRMSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000235856074 262918906 /nfs/dbraw/zinc/91/89/06/262918906.db2.gz IKUJIQQYBBGJAN-GXTWGEPZSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000235860539 388375984 /nfs/dbraw/zinc/37/59/84/388375984.db2.gz IKUJIQQYBBGJAN-OCCSQVGLSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1Cl ZINC000235860873 388376205 /nfs/dbraw/zinc/37/62/05/388376205.db2.gz IKUJIQQYBBGJAN-JSGCOSHPSA-N 1 1 248.757 3.430 10 30 BGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C)C1 ZINC000246434083 177275361 /nfs/dbraw/zinc/27/53/61/177275361.db2.gz UBZZWUNWPOMSIN-NWDGAFQWSA-N 1 1 246.379 3.057 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247535607 359231248 /nfs/dbraw/zinc/23/12/48/359231248.db2.gz OPUDPSXKRYKXGG-HZPDHXFCSA-N 1 1 245.366 3.151 10 30 BGEEMO C=C(C)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247535614 359231446 /nfs/dbraw/zinc/23/14/46/359231446.db2.gz OPUDPSXKRYKXGG-JKSUJKDBSA-N 1 1 245.366 3.151 10 30 BGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)C1 ZINC000249394620 135037770 /nfs/dbraw/zinc/03/77/70/135037770.db2.gz SKGJWDPIHIOYEL-NWDGAFQWSA-N 1 1 246.379 3.057 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000249703525 362274925 /nfs/dbraw/zinc/27/49/25/362274925.db2.gz FSRXDSJNILJRPS-GJZGRUSLSA-N 1 1 228.339 3.201 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000249703527 362275122 /nfs/dbraw/zinc/27/51/22/362275122.db2.gz FSRXDSJNILJRPS-LSDHHAIUSA-N 1 1 228.339 3.201 10 30 BGEEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1C#N ZINC000250222892 362797254 /nfs/dbraw/zinc/79/72/54/362797254.db2.gz ICCMVMCEESTPCU-GJZGRUSLSA-N 1 1 228.339 3.201 10 30 BGEEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1C#N ZINC000250222894 362796819 /nfs/dbraw/zinc/79/68/19/362796819.db2.gz ICCMVMCEESTPCU-LSDHHAIUSA-N 1 1 228.339 3.201 10 30 BGEEMO C[C@@H]1CCC[N@@H+](CC(C)(C)CS)[C@H]1C ZINC000252134302 363135691 /nfs/dbraw/zinc/13/56/91/363135691.db2.gz LGQKOCPKVVKRGZ-MNOVXSKESA-N 1 1 215.406 3.063 10 30 BGEEMO C[C@H]1CCC[N@@H+](CC(C)(C)CS)[C@H]1C ZINC000252134304 363135555 /nfs/dbraw/zinc/13/55/55/363135555.db2.gz LGQKOCPKVVKRGZ-QWRGUYRKSA-N 1 1 215.406 3.063 10 30 BGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1S ZINC000253603186 345692203 /nfs/dbraw/zinc/69/22/03/345692203.db2.gz BRPHQTWLZRAHAB-IMRBUKKESA-N 1 1 235.396 3.073 10 30 BGEEMO CC[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000258644874 384935259 /nfs/dbraw/zinc/93/52/59/384935259.db2.gz MBBFOYOGENDRAO-UHFFFAOYSA-N 1 1 228.339 3.202 10 30 BGEEMO C[N@@H+](CC1CCCCC1)CC1(C#N)CCC1 ZINC000258811777 384939516 /nfs/dbraw/zinc/93/95/16/384939516.db2.gz BQJOSKCRTAMNIO-UHFFFAOYSA-N 1 1 220.360 3.192 10 30 BGEEMO CCC[N@@H+](Cc1ccccc1)[C@H](C)CC#N ZINC000263902957 135361817 /nfs/dbraw/zinc/36/18/17/135361817.db2.gz DNULCDOHXYGSPM-CYBMUJFWSA-N 1 1 216.328 3.201 10 30 BGEEMO CCC[N@@H+](Cc1ccccc1)[C@@H](C)CC#N ZINC000263902959 135361616 /nfs/dbraw/zinc/36/16/16/135361616.db2.gz DNULCDOHXYGSPM-ZDUSSCGKSA-N 1 1 216.328 3.201 10 30 BGEEMO C#CCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000271049490 166128531 /nfs/dbraw/zinc/12/85/31/166128531.db2.gz PGQFMSHWQLMYPC-GFCCVEGCSA-N 1 1 234.368 3.084 10 30 BGEEMO C#CCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000271049492 166128412 /nfs/dbraw/zinc/12/84/12/166128412.db2.gz PGQFMSHWQLMYPC-LBPRGKRZSA-N 1 1 234.368 3.084 10 30 BGEEMO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000293948590 388393921 /nfs/dbraw/zinc/39/39/21/388393921.db2.gz OUYMYDIOYMLVFX-UHFFFAOYSA-N 1 1 237.318 3.223 10 30 BGEEMO C=C(Br)C[N@H+]1CC[C@H]2CCCC[C@H]21 ZINC000306404863 359792441 /nfs/dbraw/zinc/79/24/41/359792441.db2.gz AAZUWAJIVZYZMD-GHMZBOCLSA-N 1 1 244.176 3.160 10 30 BGEEMO C#CC[N@H+](C)[C@H](C)c1ccc(Cl)s1 ZINC000306490405 360201349 /nfs/dbraw/zinc/20/13/49/360201349.db2.gz VCLZLMBZMZFMLR-MRVPVSSYSA-N 1 1 213.733 3.028 10 30 BGEEMO C#CC[N@@H+](C)[C@H](C)c1ccc(Cl)s1 ZINC000306490405 360201343 /nfs/dbraw/zinc/20/13/43/360201343.db2.gz VCLZLMBZMZFMLR-MRVPVSSYSA-N 1 1 213.733 3.028 10 30 BGEEMO C#CC[N@H+](C)[C@@H](C)c1ccc(Cl)s1 ZINC000306490406 360201457 /nfs/dbraw/zinc/20/14/57/360201457.db2.gz VCLZLMBZMZFMLR-QMMMGPOBSA-N 1 1 213.733 3.028 10 30 BGEEMO C#CC[N@@H+](C)[C@@H](C)c1ccc(Cl)s1 ZINC000306490406 360201454 /nfs/dbraw/zinc/20/14/54/360201454.db2.gz VCLZLMBZMZFMLR-QMMMGPOBSA-N 1 1 213.733 3.028 10 30 BGEEMO CC[C@@H](C)[N@@H+](Cc1ccccc1)C(C)(C)C=O ZINC000306536931 360401899 /nfs/dbraw/zinc/40/18/99/360401899.db2.gz IEAKHPQQTYVTTO-CYBMUJFWSA-N 1 1 233.355 3.265 10 30 BGEEMO CC[C@H](C)[N@@H+](Cc1ccccc1)C(C)(C)C=O ZINC000306536932 360402271 /nfs/dbraw/zinc/40/22/71/360402271.db2.gz IEAKHPQQTYVTTO-ZDUSSCGKSA-N 1 1 233.355 3.265 10 30 BGEEMO C=C(Br)C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000307060466 351457988 /nfs/dbraw/zinc/45/79/88/351457988.db2.gz DHPTZJLPKNZENI-WPRPVWTQSA-N 1 1 232.165 3.015 10 30 BGEEMO C=C(Br)C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000307233868 351700725 /nfs/dbraw/zinc/70/07/25/351700725.db2.gz DHPTZJLPKNZENI-SCZZXKLOSA-N 1 1 232.165 3.015 10 30 BGEEMO N#C[C@@H](C[NH2+]Cc1ccccc1)C1CCCC1 ZINC000307492577 386686735 /nfs/dbraw/zinc/68/67/35/386686735.db2.gz HEVPFOLWHYIRAP-HNNXBMFYSA-N 1 1 228.339 3.106 10 30 BGEEMO N#C[C@H](C[NH2+]Cc1ccccc1)C1CCCC1 ZINC000307492579 386685786 /nfs/dbraw/zinc/68/57/86/386685786.db2.gz HEVPFOLWHYIRAP-OAHLLOKOSA-N 1 1 228.339 3.106 10 30 BGEEMO C=C(Br)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000307642949 643559604 /nfs/dbraw/zinc/55/96/04/643559604.db2.gz KYAKGVRAMRTPSV-JTQLQIEISA-N 1 1 244.176 3.160 10 30 BGEEMO C=C(Br)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000307642950 643559715 /nfs/dbraw/zinc/55/97/15/643559715.db2.gz KYAKGVRAMRTPSV-SNVBAGLBSA-N 1 1 244.176 3.160 10 30 BGEEMO C#CCCCNc1cccc2cc[nH+]cc21 ZINC000309587380 633959219 /nfs/dbraw/zinc/95/92/19/633959219.db2.gz WLIAJMHUVLJAMS-UHFFFAOYSA-N 1 1 210.280 3.060 10 30 BGEEMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2CCC[C@H]21 ZINC000336664582 350425869 /nfs/dbraw/zinc/42/58/69/350425869.db2.gz FXWUIRZGSYBJBZ-CHWSQXEVSA-N 1 1 220.360 3.191 10 30 BGEEMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000336664586 350425888 /nfs/dbraw/zinc/42/58/88/350425888.db2.gz FXWUIRZGSYBJBZ-OLZOCXBDSA-N 1 1 220.360 3.191 10 30 BGEEMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000336664589 350425760 /nfs/dbraw/zinc/42/57/60/350425760.db2.gz FXWUIRZGSYBJBZ-QWHCGFSZSA-N 1 1 220.360 3.191 10 30 BGEEMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336664592 350425474 /nfs/dbraw/zinc/42/54/74/350425474.db2.gz FXWUIRZGSYBJBZ-STQMWFEESA-N 1 1 220.360 3.191 10 30 BGEEMO Cc1nc([C@@H](C)[NH2+]CCC(C)(C)C#N)cs1 ZINC000336744249 352682277 /nfs/dbraw/zinc/68/22/77/352682277.db2.gz PYSYJZPTVOCLPF-SECBINFHSA-N 1 1 237.372 3.042 10 30 BGEEMO Cc1nc([C@H](C)[NH2+]CCC(C)(C)C#N)cs1 ZINC000336744250 352682422 /nfs/dbraw/zinc/68/24/22/352682422.db2.gz PYSYJZPTVOCLPF-VIFPVBQESA-N 1 1 237.372 3.042 10 30 BGEEMO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000381126552 344478247 /nfs/dbraw/zinc/47/82/47/344478247.db2.gz GESJCMMHXYYIPM-CHWSQXEVSA-N 1 1 234.368 3.229 10 30 BGEEMO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000381126554 344478163 /nfs/dbraw/zinc/47/81/63/344478163.db2.gz GESJCMMHXYYIPM-OLZOCXBDSA-N 1 1 234.368 3.229 10 30 BGEEMO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000381126564 344478384 /nfs/dbraw/zinc/47/83/84/344478384.db2.gz GESJCMMHXYYIPM-QWHCGFSZSA-N 1 1 234.368 3.229 10 30 BGEEMO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000381126567 344478265 /nfs/dbraw/zinc/47/82/65/344478265.db2.gz GESJCMMHXYYIPM-STQMWFEESA-N 1 1 234.368 3.229 10 30 BGEEMO CC(C)[N@@H+](CCC#N)CC1CCC(C)CC1 ZINC000381370369 344498810 /nfs/dbraw/zinc/49/88/10/344498810.db2.gz HGZZBDLSXHZMSG-UHFFFAOYSA-N 1 1 222.376 3.437 10 30 BGEEMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCCCC1(F)F ZINC000381479699 367416645 /nfs/dbraw/zinc/41/66/45/367416645.db2.gz AEBMLSAUDQNIRF-NEPJUHHUSA-N 1 1 244.329 3.293 10 30 BGEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCCCC1(F)F ZINC000381479700 367416924 /nfs/dbraw/zinc/41/69/24/367416924.db2.gz AEBMLSAUDQNIRF-NWDGAFQWSA-N 1 1 244.329 3.293 10 30 BGEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCCCC1(F)F ZINC000381479712 367416189 /nfs/dbraw/zinc/41/61/89/367416189.db2.gz AEBMLSAUDQNIRF-RYUDHWBXSA-N 1 1 244.329 3.293 10 30 BGEEMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCCC1(F)F ZINC000381479716 367417062 /nfs/dbraw/zinc/41/70/62/367417062.db2.gz AEBMLSAUDQNIRF-VXGBXAGGSA-N 1 1 244.329 3.293 10 30 BGEEMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000381681475 367446440 /nfs/dbraw/zinc/44/64/40/367446440.db2.gz MGDOJGQBQWNUOY-GHMZBOCLSA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@H](CC#N)[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000381681475 367446432 /nfs/dbraw/zinc/44/64/32/367446432.db2.gz MGDOJGQBQWNUOY-GHMZBOCLSA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381681478 355961745 /nfs/dbraw/zinc/96/17/45/355961745.db2.gz MGDOJGQBQWNUOY-MNOVXSKESA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381681478 355961743 /nfs/dbraw/zinc/96/17/43/355961743.db2.gz MGDOJGQBQWNUOY-MNOVXSKESA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381681481 367446013 /nfs/dbraw/zinc/44/60/13/367446013.db2.gz MGDOJGQBQWNUOY-QWRGUYRKSA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000381681481 367446007 /nfs/dbraw/zinc/44/60/07/367446007.db2.gz MGDOJGQBQWNUOY-QWRGUYRKSA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000381681482 367445884 /nfs/dbraw/zinc/44/58/84/367445884.db2.gz MGDOJGQBQWNUOY-WDEREUQCSA-N 1 1 230.302 3.046 10 30 BGEEMO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000381681482 367445880 /nfs/dbraw/zinc/44/58/80/367445880.db2.gz MGDOJGQBQWNUOY-WDEREUQCSA-N 1 1 230.302 3.046 10 30 BGEEMO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000395213172 323221710 /nfs/dbraw/zinc/22/17/10/323221710.db2.gz QOQNXGJQSAAPOK-GXTWGEPZSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000395213180 323221652 /nfs/dbraw/zinc/22/16/52/323221652.db2.gz QOQNXGJQSAAPOK-JSGCOSHPSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000395213182 323221602 /nfs/dbraw/zinc/22/16/02/323221602.db2.gz QOQNXGJQSAAPOK-OCCSQVGLSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000395213184 323221639 /nfs/dbraw/zinc/22/16/39/323221639.db2.gz QOQNXGJQSAAPOK-TZMCWYRMSA-N 1 1 248.757 3.430 10 30 BGEEMO Cc1scc(C[NH2+][C@H]2CCC[C@H]2C#N)c1C ZINC000399816284 357063595 /nfs/dbraw/zinc/06/35/95/357063595.db2.gz QHHYSYLBBHNMFC-AAEUAGOBSA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1scc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000399816288 357063759 /nfs/dbraw/zinc/06/37/59/357063759.db2.gz QHHYSYLBBHNMFC-DGCLKSJQSA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1scc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1C ZINC000399816293 357063564 /nfs/dbraw/zinc/06/35/64/357063564.db2.gz QHHYSYLBBHNMFC-WCQYABFASA-N 1 1 234.368 3.147 10 30 BGEEMO Cc1scc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1C ZINC000399816300 357063848 /nfs/dbraw/zinc/06/38/48/357063848.db2.gz QHHYSYLBBHNMFC-YPMHNXCESA-N 1 1 234.368 3.147 10 30 BGEEMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000439431639 387029377 /nfs/dbraw/zinc/02/93/77/387029377.db2.gz REOCIOVHETZTEL-GXTWGEPZSA-N 1 1 246.741 3.196 10 30 BGEEMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000439431640 387029765 /nfs/dbraw/zinc/02/97/65/387029765.db2.gz REOCIOVHETZTEL-JSGCOSHPSA-N 1 1 246.741 3.196 10 30 BGEEMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000439431641 387030973 /nfs/dbraw/zinc/03/09/73/387030973.db2.gz REOCIOVHETZTEL-OCCSQVGLSA-N 1 1 246.741 3.196 10 30 BGEEMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000439431642 387030099 /nfs/dbraw/zinc/03/00/99/387030099.db2.gz REOCIOVHETZTEL-TZMCWYRMSA-N 1 1 246.741 3.196 10 30 BGEEMO CC(C)(C)[C@@]1(C=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000536948626 387160821 /nfs/dbraw/zinc/16/08/21/387160821.db2.gz COXVEWWSGNCYLY-INIZCTEOSA-N 1 1 245.366 3.124 10 30 BGEEMO CC(C)(C)[C@]1(C=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000536948632 387161151 /nfs/dbraw/zinc/16/11/51/387161151.db2.gz COXVEWWSGNCYLY-MRXNPFEDSA-N 1 1 245.366 3.124 10 30 BGEEMO C=CC[N@@H+](Cc1cccc(N)c1)CC(C)(C)C ZINC000584595121 358252394 /nfs/dbraw/zinc/25/23/94/358252394.db2.gz AZWIRLMZXIJVJL-UHFFFAOYSA-N 1 1 232.371 3.303 10 30 BGEEMO CC1(C)CC[NH+](C2(C#N)CCCCC2)CC1 ZINC000584600624 358256982 /nfs/dbraw/zinc/25/69/82/358256982.db2.gz RAGBOIQTFBOLTO-UHFFFAOYSA-N 1 1 220.360 3.335 10 30 BGEEMO C=CC/[NH+]=C(\C)c1ccc(Br)cc1 ZINC000584607499 358267805 /nfs/dbraw/zinc/26/78/05/358267805.db2.gz YJNHFDZBBJLNFH-UKTHLTGXSA-N 1 1 238.128 3.444 10 30 BGEEMO C=CC[N@H+]1CCC[C@H](Nc2ccccc2)CC1 ZINC000584617032 358281540 /nfs/dbraw/zinc/28/15/40/358281540.db2.gz MYUXWAIGEOFHDQ-HNNXBMFYSA-N 1 1 230.355 3.139 10 30 BGEEMO C=CC[N@H+]1CCC[C@@H](Nc2ccccc2)CC1 ZINC000584617034 358281412 /nfs/dbraw/zinc/28/14/12/358281412.db2.gz MYUXWAIGEOFHDQ-OAHLLOKOSA-N 1 1 230.355 3.139 10 30 BGEEMO N#C[C@]1(c2ccccc2)CC[N@H+]2CCCC[C@@H]2C1 ZINC000584625834 358294876 /nfs/dbraw/zinc/29/48/76/358294876.db2.gz VZJDBGYUJBEGKA-CVEARBPZSA-N 1 1 240.350 3.096 10 30 BGEEMO N#C[C@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000584625836 358294809 /nfs/dbraw/zinc/29/48/09/358294809.db2.gz VZJDBGYUJBEGKA-HOTGVXAUSA-N 1 1 240.350 3.096 10 30 BGEEMO N#C[C@@]1(c2ccccc2)CC[N@H+]2CCCC[C@@H]2C1 ZINC000584625838 358294737 /nfs/dbraw/zinc/29/47/37/358294737.db2.gz VZJDBGYUJBEGKA-HZPDHXFCSA-N 1 1 240.350 3.096 10 30 BGEEMO N#C[C@@]1(c2ccccc2)CC[N@H+]2CCCC[C@H]2C1 ZINC000584625839 358294900 /nfs/dbraw/zinc/29/49/00/358294900.db2.gz VZJDBGYUJBEGKA-JKSUJKDBSA-N 1 1 240.350 3.096 10 30 BGEEMO CC[N@H+]1CC[C@@H]([C@](C#N)(CC)c2ccccc2)C1 ZINC000584633727 358317828 /nfs/dbraw/zinc/31/78/28/358317828.db2.gz JVOLYCHDCOMLDF-CVEARBPZSA-N 1 1 242.366 3.200 10 30 BGEEMO CC[N@H+]1CC[C@H]([C@](C#N)(CC)c2ccccc2)C1 ZINC000584633728 358317392 /nfs/dbraw/zinc/31/73/92/358317392.db2.gz JVOLYCHDCOMLDF-HOTGVXAUSA-N 1 1 242.366 3.200 10 30 BGEEMO CC[N@H+]1CC[C@@H]([C@@](C#N)(CC)c2ccccc2)C1 ZINC000584633729 358317247 /nfs/dbraw/zinc/31/72/47/358317247.db2.gz JVOLYCHDCOMLDF-HZPDHXFCSA-N 1 1 242.366 3.200 10 30 BGEEMO CC[N@H+]1CC[C@H]([C@@](C#N)(CC)c2ccccc2)C1 ZINC000584633730 358317940 /nfs/dbraw/zinc/31/79/40/358317940.db2.gz JVOLYCHDCOMLDF-JKSUJKDBSA-N 1 1 242.366 3.200 10 30 BGEEMO CC(C)[N@H+]1CC[C@@H]([C@@](C)(C#N)c2ccccc2)C1 ZINC000584633779 358317270 /nfs/dbraw/zinc/31/72/70/358317270.db2.gz MJHYVEBSMCXFCE-CVEARBPZSA-N 1 1 242.366 3.198 10 30 BGEEMO CC(C)[N@H+]1CC[C@H]([C@@](C)(C#N)c2ccccc2)C1 ZINC000584633780 358317915 /nfs/dbraw/zinc/31/79/15/358317915.db2.gz MJHYVEBSMCXFCE-HOTGVXAUSA-N 1 1 242.366 3.198 10 30 BGEEMO CC(C)[N@H+]1CC[C@@H]([C@](C)(C#N)c2ccccc2)C1 ZINC000584633781 358317368 /nfs/dbraw/zinc/31/73/68/358317368.db2.gz MJHYVEBSMCXFCE-HZPDHXFCSA-N 1 1 242.366 3.198 10 30 BGEEMO CC(C)[N@H+]1CC[C@H]([C@](C)(C#N)c2ccccc2)C1 ZINC000584633782 358317775 /nfs/dbraw/zinc/31/77/75/358317775.db2.gz MJHYVEBSMCXFCE-JKSUJKDBSA-N 1 1 242.366 3.198 10 30 BGEEMO CC(C)[N@H+]1CC[C@@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633860 358317932 /nfs/dbraw/zinc/31/79/32/358317932.db2.gz QLDZOVJOGPYXRX-CABCVRRESA-N 1 1 228.339 3.024 10 30 BGEEMO CC(C)[N@H+]1CC[C@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633861 358317953 /nfs/dbraw/zinc/31/79/53/358317953.db2.gz QLDZOVJOGPYXRX-GJZGRUSLSA-N 1 1 228.339 3.024 10 30 BGEEMO CC(C)[N@H+]1CC[C@@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633862 358317597 /nfs/dbraw/zinc/31/75/97/358317597.db2.gz QLDZOVJOGPYXRX-HUUCEWRRSA-N 1 1 228.339 3.024 10 30 BGEEMO CC(C)[N@H+]1CC[C@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633863 358317340 /nfs/dbraw/zinc/31/73/40/358317340.db2.gz QLDZOVJOGPYXRX-LSDHHAIUSA-N 1 1 228.339 3.024 10 30 BGEEMO C#CC[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000584643631 358328526 /nfs/dbraw/zinc/32/85/26/358328526.db2.gz DGTDNPXGTROJEM-UHFFFAOYSA-N 1 1 247.647 3.082 10 30 BGEEMO C=CC[N@@H+]1CC[C@](CCC)(c2cccc(O)c2)C1 ZINC000584650191 490177916 /nfs/dbraw/zinc/17/79/16/490177916.db2.gz NOFCIIQEKAJQTJ-INIZCTEOSA-N 1 1 245.366 3.322 10 30 BGEEMO C=CC[N@@H+]1CC[C@@](CCC)(c2cccc(O)c2)C1 ZINC000584650192 490177808 /nfs/dbraw/zinc/17/78/08/490177808.db2.gz NOFCIIQEKAJQTJ-MRXNPFEDSA-N 1 1 245.366 3.322 10 30 BGEEMO C=C(C)[C@@H]1C[N@@H+](C)CC[C@H]1c1ccccc1 ZINC000584651527 358306166 /nfs/dbraw/zinc/30/61/66/358306166.db2.gz LBYGNNRWBRXZEO-GJZGRUSLSA-N 1 1 215.340 3.298 10 30 BGEEMO C/[NH+]=C(/SC)c1c(C)cc(C)cc1C ZINC000584657884 490178863 /nfs/dbraw/zinc/17/88/63/490178863.db2.gz SCEAAMGSRGQWGM-OUKQBFOZSA-N 1 1 207.342 3.351 10 30 BGEEMO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@@H+]1C1CCCCC1 ZINC000584883545 343086741 /nfs/dbraw/zinc/08/67/41/343086741.db2.gz SCXXLHMDEJXXDJ-CLLJXQQHSA-N 1 1 223.360 3.007 10 30 BGEEMO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@@H+]1CCC(C)(C)C ZINC000584883562 343086675 /nfs/dbraw/zinc/08/66/75/343086675.db2.gz UHELNLHYBNLPJC-CLLJXQQHSA-N 1 1 225.376 3.111 10 30 BGEEMO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@@H+]1CC1CCCCC1 ZINC000584883565 343086626 /nfs/dbraw/zinc/08/66/26/343086626.db2.gz UINDSNMLTIABCD-AGGWBTHJSA-N 1 1 237.387 3.255 10 30 BGEEMO CSc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000595482314 487866899 /nfs/dbraw/zinc/86/68/99/487866899.db2.gz NBJNYTZNUCSLOW-GXTWGEPZSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000595482315 487866608 /nfs/dbraw/zinc/86/66/08/487866608.db2.gz NBJNYTZNUCSLOW-JSGCOSHPSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000595482316 487866826 /nfs/dbraw/zinc/86/68/26/487866826.db2.gz NBJNYTZNUCSLOW-OCCSQVGLSA-N 1 1 246.379 3.190 10 30 BGEEMO CSc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000595482317 487866575 /nfs/dbraw/zinc/86/65/75/487866575.db2.gz NBJNYTZNUCSLOW-TZMCWYRMSA-N 1 1 246.379 3.190 10 30 BGEEMO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000595840807 348374979 /nfs/dbraw/zinc/37/49/79/348374979.db2.gz FWGHWIDFDRHXKI-NEPJUHHUSA-N 1 1 242.313 3.047 10 30 BGEEMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000595840808 348375170 /nfs/dbraw/zinc/37/51/70/348375170.db2.gz FWGHWIDFDRHXKI-NWDGAFQWSA-N 1 1 242.313 3.047 10 30 BGEEMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000595840809 348375369 /nfs/dbraw/zinc/37/53/69/348375369.db2.gz FWGHWIDFDRHXKI-RYUDHWBXSA-N 1 1 242.313 3.047 10 30 BGEEMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000595840810 348375309 /nfs/dbraw/zinc/37/53/09/348375309.db2.gz FWGHWIDFDRHXKI-VXGBXAGGSA-N 1 1 242.313 3.047 10 30 BGEEMO CC[N@H+]1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616601393 350782648 /nfs/dbraw/zinc/78/26/48/350782648.db2.gz BVQDPOZAENXJEY-HNNXBMFYSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616602669 350788305 /nfs/dbraw/zinc/78/83/05/350788305.db2.gz RVMDFJJCJHOROP-AWEZNQCLSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616602777 350787983 /nfs/dbraw/zinc/78/79/83/350787983.db2.gz OKQSNUDQCZSPPX-HNNXBMFYSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616603503 350790230 /nfs/dbraw/zinc/79/02/30/350790230.db2.gz VGMKTDKMRODLPW-AWEZNQCLSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616604220 350792861 /nfs/dbraw/zinc/79/28/61/350792861.db2.gz BVQDPOZAENXJEY-OAHLLOKOSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616605476 350795088 /nfs/dbraw/zinc/79/50/88/350795088.db2.gz LLDJKQXNSSPCAU-OAHLLOKOSA-N 1 1 228.339 3.495 10 30 BGEEMO CC(C)[N@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616606199 350796545 /nfs/dbraw/zinc/79/65/45/350796545.db2.gz BLAJTGIFDZUFNL-AWEZNQCLSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)[N@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616606321 350797289 /nfs/dbraw/zinc/79/72/89/350797289.db2.gz BLAJTGIFDZUFNL-CQSZACIVSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616606373 350797221 /nfs/dbraw/zinc/79/72/21/350797221.db2.gz DNVXGRCZHBPBCQ-CQSZACIVSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607024 350798989 /nfs/dbraw/zinc/79/89/89/350798989.db2.gz OZXWCCLCJDHARM-CQSZACIVSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616607065 350799071 /nfs/dbraw/zinc/79/90/71/350799071.db2.gz DNVXGRCZHBPBCQ-AWEZNQCLSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616607377 350800979 /nfs/dbraw/zinc/80/09/79/350800979.db2.gz OZXWCCLCJDHARM-AWEZNQCLSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616607515 350800885 /nfs/dbraw/zinc/80/08/85/350800885.db2.gz UMANZIPBQSGKPK-CQSZACIVSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607596 350800888 /nfs/dbraw/zinc/80/08/88/350800888.db2.gz VOIDEYMYYWPWQY-CQSZACIVSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616607879 350801978 /nfs/dbraw/zinc/80/19/78/350801978.db2.gz ZOGPIYFPWQBWOH-CQSZACIVSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)[N@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616607964 350802318 /nfs/dbraw/zinc/80/23/18/350802318.db2.gz ZOGPIYFPWQBWOH-AWEZNQCLSA-N 1 1 214.312 3.104 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616608419 350804621 /nfs/dbraw/zinc/80/46/21/350804621.db2.gz UMANZIPBQSGKPK-AWEZNQCLSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)(C)[N@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616608446 350804602 /nfs/dbraw/zinc/80/46/02/350804602.db2.gz VOIDEYMYYWPWQY-AWEZNQCLSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000616609841 350807713 /nfs/dbraw/zinc/80/77/13/350807713.db2.gz AUOGBJGJEUJXDJ-AWEZNQCLSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616612933 349606170 /nfs/dbraw/zinc/60/61/70/349606170.db2.gz BLKIPWOJYCUVAB-AWEZNQCLSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616613770 350067249 /nfs/dbraw/zinc/06/72/49/350067249.db2.gz QAUFQRBEZBJENG-AWEZNQCLSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@H](c2ccccc2C#N)C1 ZINC000616613848 350067877 /nfs/dbraw/zinc/06/78/77/350067877.db2.gz SFBBVKGSFZUSPB-ZDUSSCGKSA-N 1 1 228.339 3.146 10 30 BGEEMO CC[N@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616613921 350815267 /nfs/dbraw/zinc/81/52/67/350815267.db2.gz DZWUJFHWNDXWEA-CQSZACIVSA-N 1 1 214.312 3.105 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616614071 350820322 /nfs/dbraw/zinc/82/03/22/350820322.db2.gz BLKIPWOJYCUVAB-CQSZACIVSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616614181 350830285 /nfs/dbraw/zinc/83/02/85/350830285.db2.gz KHWREPNKBZQXKB-OAHLLOKOSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616614577 350835459 /nfs/dbraw/zinc/83/54/59/350835459.db2.gz QAUFQRBEZBJENG-CQSZACIVSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)(C)[N@H+]1CC[C@@H](c2ccccc2C#N)C1 ZINC000616614618 350836091 /nfs/dbraw/zinc/83/60/91/350836091.db2.gz SFBBVKGSFZUSPB-CYBMUJFWSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616614836 398172430 /nfs/dbraw/zinc/17/24/30/398172430.db2.gz WULDNOSRQWVIBR-OAHLLOKOSA-N 1 1 228.339 3.494 10 30 BGEEMO CC[N@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000616615168 350845292 /nfs/dbraw/zinc/84/52/92/350845292.db2.gz DZWUJFHWNDXWEA-AWEZNQCLSA-N 1 1 214.312 3.105 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616615400 350846957 /nfs/dbraw/zinc/84/69/57/350846957.db2.gz IQWXDKLUFJMVSI-HNNXBMFYSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616615429 350846892 /nfs/dbraw/zinc/84/68/92/350846892.db2.gz KHWREPNKBZQXKB-HNNXBMFYSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000616615875 369102837 /nfs/dbraw/zinc/10/28/37/369102837.db2.gz WULDNOSRQWVIBR-HNNXBMFYSA-N 1 1 228.339 3.494 10 30 BGEEMO CC(C)[N@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616616951 350858326 /nfs/dbraw/zinc/85/83/26/350858326.db2.gz AUOGBJGJEUJXDJ-CQSZACIVSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616617043 350859412 /nfs/dbraw/zinc/85/94/12/350859412.db2.gz GRPDGWCSKWSAAK-OAHLLOKOSA-N 1 1 228.339 3.146 10 30 BGEEMO CC(C)[N@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616617722 350873260 /nfs/dbraw/zinc/87/32/60/350873260.db2.gz GRPDGWCSKWSAAK-HNNXBMFYSA-N 1 1 228.339 3.146 10 30 BGEEMO CC[N@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616620236 350938557 /nfs/dbraw/zinc/93/85/57/350938557.db2.gz DKGRWRXZZUVHDM-HNNXBMFYSA-N 1 1 228.339 3.495 10 30 BGEEMO CC[N@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616621209 350989222 /nfs/dbraw/zinc/98/92/22/350989222.db2.gz LLDJKQXNSSPCAU-HNNXBMFYSA-N 1 1 228.339 3.495 10 30 BGEEMO C[N@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616621714 385806802 /nfs/dbraw/zinc/80/68/02/385806802.db2.gz OFGTZKDADRCYGZ-AWEZNQCLSA-N 1 1 214.312 3.105 10 30 BGEEMO C[N@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616621852 351083778 /nfs/dbraw/zinc/08/37/78/351083778.db2.gz PNKVNKUXRLYLNM-AWEZNQCLSA-N 1 1 214.312 3.105 10 30 BGEEMO C[N@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616622139 398206720 /nfs/dbraw/zinc/20/67/20/398206720.db2.gz UZFLQBPKLICZCE-AWEZNQCLSA-N 1 1 214.312 3.105 10 30 BGEEMO CC[N@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616622443 343524536 /nfs/dbraw/zinc/52/45/36/343524536.db2.gz YRGAQEUSZNRMGX-HNNXBMFYSA-N 1 1 228.339 3.495 10 30 BGEEMO CC[N@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616622536 351086833 /nfs/dbraw/zinc/08/68/33/351086833.db2.gz DKGRWRXZZUVHDM-OAHLLOKOSA-N 1 1 228.339 3.495 10 30 BGEEMO C[N@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616623582 351089541 /nfs/dbraw/zinc/08/95/41/351089541.db2.gz OFGTZKDADRCYGZ-CQSZACIVSA-N 1 1 214.312 3.105 10 30 BGEEMO C[N@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616623639 351089480 /nfs/dbraw/zinc/08/94/80/351089480.db2.gz PNKVNKUXRLYLNM-CQSZACIVSA-N 1 1 214.312 3.105 10 30 BGEEMO C[N@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616624033 351090859 /nfs/dbraw/zinc/09/08/59/351090859.db2.gz UZFLQBPKLICZCE-CQSZACIVSA-N 1 1 214.312 3.105 10 30 BGEEMO CC[N@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616624336 351091774 /nfs/dbraw/zinc/09/17/74/351091774.db2.gz YRGAQEUSZNRMGX-OAHLLOKOSA-N 1 1 228.339 3.495 10 30 BGEEMO CC(C)[N@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616625262 351093942 /nfs/dbraw/zinc/09/39/42/351093942.db2.gz IQWXDKLUFJMVSI-OAHLLOKOSA-N 1 1 228.339 3.494 10 30 BGEEMO CC[N@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626013 351086640 /nfs/dbraw/zinc/08/66/40/351086640.db2.gz OVMFRXWBUQHYIJ-CQSZACIVSA-N 1 1 214.312 3.105 10 30 BGEEMO CC[N@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616626758 351106857 /nfs/dbraw/zinc/10/68/57/351106857.db2.gz DTLBPTLDOAQOCJ-CQSZACIVSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616626900 351107252 /nfs/dbraw/zinc/10/72/52/351107252.db2.gz DTLBPTLDOAQOCJ-AWEZNQCLSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616627358 351094765 /nfs/dbraw/zinc/09/47/65/351094765.db2.gz KCIQLIACBVFETG-CYBMUJFWSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616627649 351095737 /nfs/dbraw/zinc/09/57/37/351095737.db2.gz KCIQLIACBVFETG-ZDUSSCGKSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616629117 351100183 /nfs/dbraw/zinc/10/01/83/351100183.db2.gz RVMDFJJCJHOROP-CQSZACIVSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616654836 351191184 /nfs/dbraw/zinc/19/11/84/351191184.db2.gz OKQSNUDQCZSPPX-OAHLLOKOSA-N 1 1 228.339 3.148 10 30 BGEEMO CC[N@H+]1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616656284 343531893 /nfs/dbraw/zinc/53/18/93/343531893.db2.gz VGMKTDKMRODLPW-CQSZACIVSA-N 1 1 228.339 3.148 10 30 BGEEMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000667946058 541433614 /nfs/dbraw/zinc/43/36/14/541433614.db2.gz JAOGMUGAHJYYRR-CYBMUJFWSA-N 1 1 215.340 3.399 10 30 BGEEMO C=CCc1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000667946059 541433667 /nfs/dbraw/zinc/43/36/67/541433667.db2.gz JAOGMUGAHJYYRR-ZDUSSCGKSA-N 1 1 215.340 3.399 10 30 BGEEMO CC(C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000675075259 538509219 /nfs/dbraw/zinc/50/92/19/538509219.db2.gz JNLWURZUNPSRJI-UHFFFAOYSA-N 1 1 208.349 3.191 10 30 BGEEMO CCCCCCCCCn1c[nH+]c(N)c1 ZINC000685964292 538911122 /nfs/dbraw/zinc/91/11/22/538911122.db2.gz LOWNNVOFXLGBLB-UHFFFAOYSA-N 1 1 209.337 3.216 10 30 BGEEMO C=CC(C)(C)CC[NH2+]Cc1cccc(F)c1O ZINC000701906573 712031951 /nfs/dbraw/zinc/03/19/51/712031951.db2.gz UHELQXXUEKWFHA-UHFFFAOYSA-N 1 1 237.318 3.223 10 30 BGEEMO C=CCCC(C)(C)[NH2+]Cc1cccc(F)c1O ZINC000717909302 712733221 /nfs/dbraw/zinc/73/32/21/712733221.db2.gz PRPWDYOMWNFTLJ-UHFFFAOYSA-N 1 1 237.318 3.366 10 30 BGEEMO C#CCC[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000757155944 582539850 /nfs/dbraw/zinc/53/98/50/582539850.db2.gz FWOUCQFWZBJWTC-UHFFFAOYSA-N 1 1 221.731 3.104 10 30 BGEEMO