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 343606076 /nfs/dbraw/zinc/60/60/76/343606076.db2.gz MCWNRJVMXBUUPG-HNNXBMFYSA-N 1 0 228.339 3.146 10 30 BGEERO CCC[N@@H+]1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000001534950 169198139 /nfs/dbraw/zinc/19/81/39/169198139.db2.gz GQRIAOUUYRIMLH-HNNXBMFYSA-N 1 0 228.339 3.148 10 30 in-vivo BGEERO C[C@@H](c1ccccc1)[N+](=O)Cc1ccccc1 ZINC000001630048 176019401 /nfs/dbraw/zinc/01/94/01/176019401.db2.gz VCCUQQXPEXRXEK-WIOAZZGGSA-N 1 0 225.291 3.377 10 30 BGEERO C[C@H](c1ccccc1)[N+](=O)Cc1ccccc1 ZINC000001630050 177037660 /nfs/dbraw/zinc/03/76/60/177037660.db2.gz VCCUQQXPEXRXEK-OPCAMPFDSA-N 1 0 225.291 3.377 10 30 BGEERO C=C(C)C(=O)OCC[NH+](CCCC)CCCC ZINC000001841263 187712841 /nfs/dbraw/zinc/71/28/41/187712841.db2.gz UATUCIKYJLUTBD-UHFFFAOYSA-N 1 0 241.375 3.008 10 30 BGEERO C=CC[N+](CC)(CC)C/C=C(\C)Cl ZINC000003172719 187274032 /nfs/dbraw/zinc/27/40/32/187274032.db2.gz QDZVCUWQUCWVSE-DHZHZOJOSA-N 1 0 202.749 3.172 10 30 BGEERO CC[C@@](C#N)(C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000003623395 171161936 /nfs/dbraw/zinc/16/19/36/171161936.db2.gz CNKVQTMWLAZAPL-HIFRSBDPSA-N 1 0 230.355 3.198 10 30 in-man BGEERO CC[C@@](C#N)(C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000003623398 171162644 /nfs/dbraw/zinc/16/26/44/171162644.db2.gz CNKVQTMWLAZAPL-ZFWWWQNUSA-N 1 0 230.355 3.198 10 30 in-man BGEERO C=CCC(C[NH3+])(CC=C)c1ccccc1 ZINC000003635688 372037155 /nfs/dbraw/zinc/03/71/55/372037155.db2.gz NNVARZNTBOJMPZ-UHFFFAOYSA-N 1 0 201.313 3.035 10 30 BGEERO CC(C)C(C#N)(CCC[NH+](C)C)C(C)C ZINC000003635885 368876185 /nfs/dbraw/zinc/87/61/85/368876185.db2.gz CIKHVDILYPUSTI-UHFFFAOYSA-N 1 0 210.365 3.150 10 30 BGEERO CC(C)[C@](C#N)(CCC[NH+](C)C)c1ccccc1 ZINC000003638009 368876139 /nfs/dbraw/zinc/87/61/39/368876139.db2.gz INCZXTDTLFGHGG-MRXNPFEDSA-N 1 0 244.382 3.446 10 30 BGEERO CC(C)[C@@](C#N)(CCC[NH+](C)C)c1ccccc1 ZINC000003638011 368876216 /nfs/dbraw/zinc/87/62/16/368876216.db2.gz INCZXTDTLFGHGG-INIZCTEOSA-N 1 0 244.382 3.446 10 30 BGEERO CC[C@H](C)[C@@](C#N)(CC[NH+](C)C)c1ccccc1 ZINC000003639186 171381959 /nfs/dbraw/zinc/38/19/59/171381959.db2.gz MVCMGQACMGHRSM-HOCLYGCPSA-N 1 0 244.382 3.446 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000003785165 411185986 /nfs/dbraw/zinc/18/59/86/411185986.db2.gz MCWNRJVMXBUUPG-OAHLLOKOSA-N 1 0 228.339 3.146 10 30 BGEERO C=CC[N@@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000003788566 368882946 /nfs/dbraw/zinc/88/29/46/368882946.db2.gz LQVKLIWEHOSMFM-GDBMZVCRSA-N 1 0 227.351 3.224 10 30 BGEERO CCC[N@H+](CC)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000003990453 169131151 /nfs/dbraw/zinc/13/11/51/169131151.db2.gz TZEGNEPVLMOQPG-CYBMUJFWSA-N 1 0 235.371 3.320 10 30 BGEERO C=CC[NH2+]CCOc1cc(C)c(Cl)c(C)c1 ZINC000004568355 166399198 /nfs/dbraw/zinc/39/91/98/166399198.db2.gz VMIZVXKFRCEKMK-UHFFFAOYSA-N 1 0 239.746 3.111 10 30 BGEERO CC(C)[C@@H](C#Cc1ccccc1)[NH+]1CCCC1 ZINC000005284825 167339924 /nfs/dbraw/zinc/33/99/24/167339924.db2.gz VGCXYVNJEFARHB-MRXNPFEDSA-N 1 0 227.351 3.159 10 30 BGEERO CC[N+]12CCC(CC1)/C(=N/c1ccccc1)C2 ZINC000005317990 342761897 /nfs/dbraw/zinc/76/18/97/342761897.db2.gz MEDSCKGRTUJXNP-FOCLMDBBSA-N 1 0 229.347 3.019 10 30 BGEERO C/N=C1\C[C@@H](C)[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000005355200 342762533 /nfs/dbraw/zinc/76/25/33/342762533.db2.gz WUVCXGVANHXTKZ-FZJVYVCZSA-N 1 0 244.382 3.030 10 30 BGEERO C/N=C1\C[C@H](C)[N@H+](CCc2ccccc2)C[C@@H]1C ZINC000005358120 384111758 /nfs/dbraw/zinc/11/17/58/384111758.db2.gz WUVCXGVANHXTKZ-QLXQBBHQSA-N 1 0 244.382 3.030 10 30 BGEERO CC[N+](CC)(CC)[C@@H](C#N)c1ccccc1 ZINC000005688382 717101019 /nfs/dbraw/zinc/10/10/19/717101019.db2.gz WPKWKRDNRZTHOJ-AWEZNQCLSA-N 1 0 217.336 3.128 10 30 BGEERO CC[N+](CC)(CC)[C@H](C#N)c1ccccc1 ZINC000005688383 717101154 /nfs/dbraw/zinc/10/11/54/717101154.db2.gz WPKWKRDNRZTHOJ-CQSZACIVSA-N 1 0 217.336 3.128 10 30 BGEERO CCCCSC#C[N+](CC)(CC)CC ZINC000005707914 717100886 /nfs/dbraw/zinc/10/08/86/717100886.db2.gz HAVSJZGCNDPCTN-UHFFFAOYSA-N 1 0 214.398 3.315 10 30 BGEERO Cc1ccc(NC(=[NH2+])c2ccncc2)cc1Cl ZINC000005781827 178360078 /nfs/dbraw/zinc/36/00/78/178360078.db2.gz NUNHPHHBQUMIGL-UHFFFAOYSA-N 1 0 245.713 3.080 10 30 BGEERO [NH2+]=C(Nc1ccccc1)c1ccnc2ccccc21 ZINC000005848596 181182414 /nfs/dbraw/zinc/18/24/14/181182414.db2.gz FLJSNQYENZAZGJ-UHFFFAOYSA-N 1 0 247.301 3.272 10 30 BGEERO C#CC1=CC[C@H]([NH+](CCC)CCC)CC1 ZINC000006398231 166114177 /nfs/dbraw/zinc/11/41/77/166114177.db2.gz IOUKEEFTYOZOKJ-AWEZNQCLSA-N 1 0 205.345 3.221 10 30 in-vivo BGEERO C#CC1=CC[C@@H]([NH+](CCC)CCC)CC1 ZINC000006398232 166113467 /nfs/dbraw/zinc/11/34/67/166113467.db2.gz IOUKEEFTYOZOKJ-CQSZACIVSA-N 1 0 205.345 3.221 10 30 in-vivo BGEERO C=CCC[NH2+][C@@H](CC=C)c1ccccc1 ZINC000006780734 166267076 /nfs/dbraw/zinc/26/70/76/166267076.db2.gz KTQWZOJXCPVZTB-AWEZNQCLSA-N 1 0 201.313 3.470 10 30 BGEERO C=CCC[NH2+][C@H](CC=C)c1ccccc1 ZINC000006780736 166267414 /nfs/dbraw/zinc/26/74/14/166267414.db2.gz KTQWZOJXCPVZTB-CQSZACIVSA-N 1 0 201.313 3.470 10 30 BGEERO CN1CCC/C1=[NH+]/c1ccc(Cl)cc1 ZINC000006792607 173001739 /nfs/dbraw/zinc/00/17/39/173001739.db2.gz DVYHNJRIOLVUBO-QBFSEMIESA-N 1 0 208.692 3.096 10 30 BGEERO N#Cc1cccc([C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000012355935 388716645 /nfs/dbraw/zinc/71/66/45/388716645.db2.gz RWFSSGIYTQCWMB-MRXNPFEDSA-N 1 0 240.350 3.148 10 30 BGEERO C=C(c1ccc(O)cc1)[C@H](C)[NH+](CC)CC ZINC000013521800 188342936 /nfs/dbraw/zinc/34/29/36/188342936.db2.gz FVXFVCKNARDYRF-LBPRGKRZSA-N 1 0 219.328 3.136 10 30 BGEERO C=C(c1ccc(O)cc1)[C@@H](C)[NH+](CC)CC ZINC000013521804 187307556 /nfs/dbraw/zinc/30/75/56/187307556.db2.gz FVXFVCKNARDYRF-GFCCVEGCSA-N 1 0 219.328 3.136 10 30 BGEERO C=CC[N@@H+](C)[C@@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583916 166324081 /nfs/dbraw/zinc/32/40/81/166324081.db2.gz RHQPASUQIGVBMR-OAHLLOKOSA-N 1 0 245.366 3.102 10 30 BGEERO C=CC[N@@H+](C)[C@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583918 166322792 /nfs/dbraw/zinc/32/27/92/166322792.db2.gz RHQPASUQIGVBMR-HNNXBMFYSA-N 1 0 245.366 3.102 10 30 BGEERO C=CC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000013682199 188268837 /nfs/dbraw/zinc/26/88/37/188268837.db2.gz JREHJCKVQXOMFL-OAHLLOKOSA-N 1 0 243.350 3.218 10 30 BGEERO CCC[N@@H+]1CCC[C@@H](c2cccc(CC#N)c2)C1 ZINC000013738269 169195679 /nfs/dbraw/zinc/19/56/79/169195679.db2.gz RURTXDUFVIOALE-MRXNPFEDSA-N 1 0 242.366 3.342 10 30 BGEERO C#Cc1cccc([C@@H]2CCC[N@@H+](CCC)C2)c1 ZINC000013738270 188052077 /nfs/dbraw/zinc/05/20/77/188052077.db2.gz PGAXGWGBGVJKJG-MRXNPFEDSA-N 1 0 227.351 3.257 10 30 BGEERO C=CCc1ccccc1OCCC[NH2+]C(C)C ZINC000013743789 188225548 /nfs/dbraw/zinc/22/55/48/188225548.db2.gz DFULLGARRYNIBF-UHFFFAOYSA-N 1 0 233.355 3.182 10 30 BGEERO CCSC(=N)Nc1ccccc1Cl ZINC000013762658 384372986 /nfs/dbraw/zinc/37/29/86/384372986.db2.gz NYQYZAGLRCILFP-UHFFFAOYSA-N 1 0 214.721 3.039 10 30 BGEERO C[C@H](Cc1ccccc1)[NH2+]CC#Cc1ccccc1 ZINC000013820952 397848519 /nfs/dbraw/zinc/84/85/19/397848519.db2.gz CAEQOBRRUWRLKL-MRXNPFEDSA-N 1 0 249.357 3.259 10 30 BGEERO CC(C)C[NH+]=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000013822057 343105068 /nfs/dbraw/zinc/10/50/68/343105068.db2.gz OZIARCYVVSUGCW-UHFFFAOYSA-N 1 0 242.326 3.173 10 30 BGEERO C=C1c2ccccc2[C@]2([NH2+]C)CCCC[C@H]12 ZINC000013825990 187650794 /nfs/dbraw/zinc/65/07/94/187650794.db2.gz VAPYIMZSPDSVMS-HIFRSBDPSA-N 1 0 213.324 3.318 10 30 BGEERO C=CC[NH2+][C@@H]1CCc2ccccc2[C@H]1CC=C ZINC000013826016 384876446 /nfs/dbraw/zinc/87/64/46/384876446.db2.gz JONSUOPOTLJXPM-HZPDHXFCSA-N 1 0 227.351 3.437 10 30 BGEERO CCC[N@H+](CC)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000013973966 169131272 /nfs/dbraw/zinc/13/12/72/169131272.db2.gz TZEGNEPVLMOQPG-ZDUSSCGKSA-N 1 0 235.371 3.320 10 30 BGEERO C[NH+]=C(C)NC(=C(Cl)Cl)c1ccccc1 ZINC000015022490 172957125 /nfs/dbraw/zinc/95/71/25/172957125.db2.gz YQZQICXZRYXFCQ-UHFFFAOYSA-N 1 0 243.137 3.428 10 30 BGEERO C=C(C)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019502423 188414278 /nfs/dbraw/zinc/41/42/78/188414278.db2.gz ALWBGGPQIKEQEE-UHFFFAOYSA-N 1 0 229.323 3.018 10 30 BGEERO C([C@@H]1CO1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000019803613 187418049 /nfs/dbraw/zinc/41/80/49/187418049.db2.gz RNNCMOKRBXICBN-OAHLLOKOSA-N 1 0 237.387 3.353 10 30 BGEERO N#CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000019804689 181039606 /nfs/dbraw/zinc/03/96/06/181039606.db2.gz MSIJCNSLSOPTDK-UHFFFAOYSA-N 1 0 220.360 3.477 10 30 BGEERO C=CCN(CC=C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000019871886 166337668 /nfs/dbraw/zinc/33/76/68/166337668.db2.gz LQXPZWJXLBGRRW-LLVKDONJSA-N 1 0 234.318 3.024 10 30 BGEERO C=CCN(CC=C)c1ccc([C@H](C)[NH3+])cc1F ZINC000019871888 166336798 /nfs/dbraw/zinc/33/67/98/166336798.db2.gz LQXPZWJXLBGRRW-NSHDSACASA-N 1 0 234.318 3.024 10 30 BGEERO C=CCN(CC=C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019871890 166337664 /nfs/dbraw/zinc/33/76/64/166337664.db2.gz TXRCNGYZEAMKHM-LLVKDONJSA-N 1 0 234.318 3.024 10 30 BGEERO C=CCN(CC=C)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000019871892 166336823 /nfs/dbraw/zinc/33/68/23/166336823.db2.gz TXRCNGYZEAMKHM-NSHDSACASA-N 1 0 234.318 3.024 10 30 BGEERO C=CCN(CC=C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000019871898 166338343 /nfs/dbraw/zinc/33/83/43/166338343.db2.gz YUKKYCZWUILZGK-LLVKDONJSA-N 1 0 234.318 3.024 10 30 BGEERO C=CCN(CC=C)c1cccc(F)c1[C@H](C)[NH3+] ZINC000019871900 166340130 /nfs/dbraw/zinc/34/01/30/166340130.db2.gz YUKKYCZWUILZGK-NSHDSACASA-N 1 0 234.318 3.024 10 30 BGEERO C=C(C)CN(CC)c1ccc([C@@H](C)[NH3+])cc1F ZINC000019872753 187370814 /nfs/dbraw/zinc/37/08/14/187370814.db2.gz ICRMZDZTXQXNPN-LLVKDONJSA-N 1 0 236.334 3.248 10 30 BGEERO C=C(C)CN(CC)c1ccc([C@H](C)[NH3+])cc1F ZINC000019872755 188058852 /nfs/dbraw/zinc/05/88/52/188058852.db2.gz ICRMZDZTXQXNPN-NSHDSACASA-N 1 0 236.334 3.248 10 30 BGEERO C=C(C)CN(CC)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019872757 187205985 /nfs/dbraw/zinc/20/59/85/187205985.db2.gz OUWYKGWLTPKEMI-LLVKDONJSA-N 1 0 236.334 3.248 10 30 BGEERO C=C(C)CN(CC)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000019872759 188232464 /nfs/dbraw/zinc/23/24/64/188232464.db2.gz OUWYKGWLTPKEMI-NSHDSACASA-N 1 0 236.334 3.248 10 30 BGEERO C=C(C)CN(CC)c1ccc([C@H](C)[NH3+])cc1 ZINC000019872763 188232147 /nfs/dbraw/zinc/23/21/47/188232147.db2.gz SZOUGDAQWXEGMI-LBPRGKRZSA-N 1 0 218.344 3.109 10 30 BGEERO C=C(C)CN(CC)c1cccc(F)c1[C@H](C)[NH3+] ZINC000019872767 187205832 /nfs/dbraw/zinc/20/58/32/187205832.db2.gz CGGBOUDHILBICL-NSHDSACASA-N 1 0 236.334 3.248 10 30 BGEERO C=C(C)CN(CC)c1ccccc1[C@@H](C)[NH3+] ZINC000019872769 187766790 /nfs/dbraw/zinc/76/67/90/187766790.db2.gz JEMMJTSPBKJVLS-GFCCVEGCSA-N 1 0 218.344 3.109 10 30 BGEERO C[C@H]([NH3+])c1ccccc1Oc1cccc(C#N)c1 ZINC000019873178 176778864 /nfs/dbraw/zinc/77/88/64/176778864.db2.gz VLUHTQCTGYUIKQ-NSHDSACASA-N 1 0 238.290 3.370 10 30 BGEERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2C#N)cc1 ZINC000019873414 175817817 /nfs/dbraw/zinc/81/78/17/175817817.db2.gz ZUSDJFMDYGVHIX-LLVKDONJSA-N 1 0 238.290 3.370 10 30 BGEERO C[C@H]([NH3+])c1ccc(Oc2ccccc2C#N)cc1 ZINC000019873415 176776787 /nfs/dbraw/zinc/77/67/87/176776787.db2.gz ZUSDJFMDYGVHIX-NSHDSACASA-N 1 0 238.290 3.370 10 30 BGEERO C[C@@H]([NH3+])c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000019873692 175817863 /nfs/dbraw/zinc/81/78/63/175817863.db2.gz VYVWTLFLRAZBFM-LLVKDONJSA-N 1 0 238.290 3.370 10 30 BGEERO C#CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000019875361 385153087 /nfs/dbraw/zinc/15/30/87/385153087.db2.gz HNNWBTQBFGYBPE-UHFFFAOYSA-N 1 0 221.303 3.076 10 30 BGEERO C#CC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000019875371 166188184 /nfs/dbraw/zinc/18/81/84/166188184.db2.gz OZXIKMYLSQMLQV-UHFFFAOYSA-N 1 0 207.361 3.204 10 30 BGEERO C#CC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000019875416 187370778 /nfs/dbraw/zinc/37/07/78/187370778.db2.gz YVCZMIQTFYJIIM-UHFFFAOYSA-N 1 0 245.269 3.021 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019875481 166192957 /nfs/dbraw/zinc/19/29/57/166192957.db2.gz YOJRHPQRCUWOAQ-GFCCVEGCSA-N 1 0 209.292 3.124 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019875482 166190711 /nfs/dbraw/zinc/19/07/11/166190711.db2.gz YOJRHPQRCUWOAQ-LBPRGKRZSA-N 1 0 209.292 3.124 10 30 BGEERO C#CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000019875528 166188012 /nfs/dbraw/zinc/18/80/12/166188012.db2.gz PPHXJTMTMZOVOC-UHFFFAOYSA-N 1 0 249.357 3.063 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019875537 166192438 /nfs/dbraw/zinc/19/24/38/166192438.db2.gz PSDPKGMQGIRTOW-GFCCVEGCSA-N 1 0 215.340 3.268 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019875538 166190081 /nfs/dbraw/zinc/19/00/81/166190081.db2.gz PSDPKGMQGIRTOW-LBPRGKRZSA-N 1 0 215.340 3.268 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000019875561 166192083 /nfs/dbraw/zinc/19/20/83/166192083.db2.gz PULBSKTWSIRYMI-CYBMUJFWSA-N 1 0 215.340 3.169 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000019875562 166191343 /nfs/dbraw/zinc/19/13/43/166191343.db2.gz PULBSKTWSIRYMI-ZDUSSCGKSA-N 1 0 215.340 3.169 10 30 BGEERO C#CC[NH2+][C@H](C)c1oc2ccccc2c1CC ZINC000019875608 166192888 /nfs/dbraw/zinc/19/28/88/166192888.db2.gz QCBSWLUSPVMTRJ-LLVKDONJSA-N 1 0 227.307 3.279 10 30 BGEERO C#CC[NH2+][C@@H](C)c1oc2ccccc2c1CC ZINC000019875609 166191442 /nfs/dbraw/zinc/19/14/42/166191442.db2.gz QCBSWLUSPVMTRJ-NSHDSACASA-N 1 0 227.307 3.279 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019875682 166192627 /nfs/dbraw/zinc/19/26/27/166192627.db2.gz UUXGPARLURALQP-GFCCVEGCSA-N 1 0 201.313 3.094 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019875683 166191397 /nfs/dbraw/zinc/19/13/97/166191397.db2.gz UUXGPARLURALQP-LBPRGKRZSA-N 1 0 201.313 3.094 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019875694 166192019 /nfs/dbraw/zinc/19/20/19/166192019.db2.gz SCWMWXLJEKGRQV-MRVPVSSYSA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019875695 166191008 /nfs/dbraw/zinc/19/10/08/166191008.db2.gz SCWMWXLJEKGRQV-QMMMGPOBSA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019875699 166192939 /nfs/dbraw/zinc/19/29/39/166192939.db2.gz ORARHWPMDJKUTL-GFCCVEGCSA-N 1 0 239.318 3.132 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019875700 166191266 /nfs/dbraw/zinc/19/12/66/166191266.db2.gz ORARHWPMDJKUTL-LBPRGKRZSA-N 1 0 239.318 3.132 10 30 BGEERO C=CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000019875746 166396878 /nfs/dbraw/zinc/39/68/78/166396878.db2.gz PGCRTKCOXQBWLN-UHFFFAOYSA-N 1 0 215.340 3.488 10 30 BGEERO C=CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019875788 386784007 /nfs/dbraw/zinc/78/40/07/386784007.db2.gz SRPOXYJOTYKMNI-SECBINFHSA-N 1 0 240.144 3.286 10 30 BGEERO C=CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019875789 166406750 /nfs/dbraw/zinc/40/67/50/166406750.db2.gz SRPOXYJOTYKMNI-VIFPVBQESA-N 1 0 240.144 3.286 10 30 BGEERO C=CC[NH2+][C@H](C)c1ccccc1Br ZINC000019875841 188058845 /nfs/dbraw/zinc/05/88/45/188058845.db2.gz FMSTZLVBVSRXKN-SECBINFHSA-N 1 0 240.144 3.286 10 30 BGEERO C=CC[NH2+][C@@H](C)c1ccccc1Br ZINC000019875842 386785535 /nfs/dbraw/zinc/78/55/35/386785535.db2.gz FMSTZLVBVSRXKN-VIFPVBQESA-N 1 0 240.144 3.286 10 30 in-man BGEERO C=CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019875886 188111151 /nfs/dbraw/zinc/11/11/51/188111151.db2.gz MMJXDLPNEJZDSJ-SHIHICALSA-N 1 0 219.372 3.367 10 30 BGEERO C=CC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019875887 166403552 /nfs/dbraw/zinc/40/35/52/166403552.db2.gz MMJXDLPNEJZDSJ-DYQPHDICSA-N 1 0 219.372 3.367 10 30 BGEERO C=CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019876041 398012626 /nfs/dbraw/zinc/01/26/26/398012626.db2.gz DZRDNEBLGVTQCO-SECBINFHSA-N 1 0 245.244 3.422 10 30 BGEERO C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCC[C@@H]1C ZINC000019963206 177123118 /nfs/dbraw/zinc/12/31/18/177123118.db2.gz YEIUATBHFLPJSI-WOSRLPQWSA-N 1 0 242.366 3.473 10 30 BGEERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000019963208 177137610 /nfs/dbraw/zinc/13/76/10/177137610.db2.gz YEIUATBHFLPJSI-ZENOOKHLSA-N 1 0 242.366 3.473 10 30 BGEERO C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCC[C@@H]1C ZINC000019963274 177123073 /nfs/dbraw/zinc/12/30/73/177123073.db2.gz KKHSAJODFCQYBG-WOSRLPQWSA-N 1 0 242.366 3.473 10 30 BGEERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000019963276 177137352 /nfs/dbraw/zinc/13/73/52/177137352.db2.gz KKHSAJODFCQYBG-ZENOOKHLSA-N 1 0 242.366 3.473 10 30 BGEERO CC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000020050147 168164281 /nfs/dbraw/zinc/16/42/81/168164281.db2.gz DHLQFKIKZWJCDU-UHFFFAOYSA-N 1 0 228.339 3.227 10 30 BGEERO C=CC[NH+](CC=C)Cc1ccc(Cl)c(N)c1 ZINC000020071314 166334607 /nfs/dbraw/zinc/33/46/07/166334607.db2.gz GXJGGNWTPCYORO-UHFFFAOYSA-N 1 0 236.746 3.096 10 30 BGEERO C=CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078324 188005048 /nfs/dbraw/zinc/00/50/48/188005048.db2.gz RBOOPMOWZJAORT-MRVPVSSYSA-N 1 0 213.683 3.316 10 30 BGEERO C=CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078326 385411045 /nfs/dbraw/zinc/41/10/45/385411045.db2.gz RBOOPMOWZJAORT-QMMMGPOBSA-N 1 0 213.683 3.316 10 30 BGEERO C#CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084694 590071967 /nfs/dbraw/zinc/07/19/67/590071967.db2.gz XXERFFVVXJKYHD-CYBMUJFWSA-N 1 0 231.339 3.005 10 30 BGEERO C#CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020084696 590072391 /nfs/dbraw/zinc/07/23/91/590072391.db2.gz XXERFFVVXJKYHD-ZDUSSCGKSA-N 1 0 231.339 3.005 10 30 BGEERO C[C@@H](NCCC#N)c1ccc(F)c(Cl)c1 ZINC000020200050 385423312 /nfs/dbraw/zinc/42/33/12/385423312.db2.gz FQIBERKIYGGACA-MRVPVSSYSA-N 1 0 226.682 3.043 10 30 BGEERO C[C@H](NCCC#N)c1ccc(F)c(Cl)c1 ZINC000020200052 385423345 /nfs/dbraw/zinc/42/33/45/385423345.db2.gz FQIBERKIYGGACA-QMMMGPOBSA-N 1 0 226.682 3.043 10 30 BGEERO COc1ccc(/C=[NH+]/C(C)(C)C)c(C)c1 ZINC000021987704 175049339 /nfs/dbraw/zinc/04/93/39/175049339.db2.gz SEUJBDFNLMKBSG-NTEUORMPSA-N 1 0 205.301 3.221 10 30 BGEERO N#Cc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026720417 181151370 /nfs/dbraw/zinc/15/13/70/181151370.db2.gz AUOQQUWSNUIRJR-UKRRQHHQSA-N 1 0 226.323 3.248 10 30 BGEERO C=CC[N@@H+]1CCC[C@H]2C[C@@H]1c1ccccc12 ZINC000027523373 166354469 /nfs/dbraw/zinc/35/44/69/166354469.db2.gz YJZNRSFQIRJKSX-SWLSCSKDSA-N 1 0 213.324 3.497 10 30 BGEERO C=CCCCC/C=C1\C[N@@H+]2CCC[C@H]2[C@@](C)(O)C1 ZINC000027547703 188060174 /nfs/dbraw/zinc/06/01/74/188060174.db2.gz KUUNYKSSMMOQCE-RPZAIAHZSA-N 1 0 249.398 3.278 10 30 BGEERO C=CC[N@@H+]1CCc2cccc3c2[C@@H](CCC3)C1 ZINC000027717798 166359273 /nfs/dbraw/zinc/35/92/73/166359273.db2.gz HGOHHVSAARYECT-HNNXBMFYSA-N 1 0 227.351 3.151 10 30 BGEERO C=CC[N@@H+]1CCc2cccc3c2[C@H](CCC3)C1 ZINC000027717829 166358517 /nfs/dbraw/zinc/35/85/17/166358517.db2.gz HGOHHVSAARYECT-OAHLLOKOSA-N 1 0 227.351 3.151 10 30 BGEERO C=C1c2ccccc2[C@@]2([NH2+]C)CCCC[C@H]12 ZINC000027737056 188179986 /nfs/dbraw/zinc/17/99/86/188179986.db2.gz VAPYIMZSPDSVMS-UKRRQHHQSA-N 1 0 213.324 3.318 10 30 BGEERO C=C1c2ccccc2[C@]2([NH2+]C)CCCC[C@@H]12 ZINC000027737062 188180070 /nfs/dbraw/zinc/18/00/70/188180070.db2.gz VAPYIMZSPDSVMS-ZFWWWQNUSA-N 1 0 213.324 3.318 10 30 BGEERO C=C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000027888290 188234071 /nfs/dbraw/zinc/23/40/71/188234071.db2.gz SNKVNNXKZIUUHR-DLBZAZTESA-N 1 0 233.314 3.317 10 30 BGEERO C=CC[N@@H+]1[C@H](C)Cc2ccccc2[C@H]1C ZINC000028247348 166361993 /nfs/dbraw/zinc/36/19/93/166361993.db2.gz DAYJPDHSHGZODO-VXGBXAGGSA-N 1 0 201.313 3.180 10 30 BGEERO C=CC[N@H+]1[C@H](C)c2ccccc2C[C@@H]1C ZINC000028247357 166361518 /nfs/dbraw/zinc/36/15/18/166361518.db2.gz DAYJPDHSHGZODO-NWDGAFQWSA-N 1 0 201.313 3.180 10 30 BGEERO C=CC[N@@H+]1[C@H](C)Cc2ccccc2[C@@H]1C ZINC000028247364 166361805 /nfs/dbraw/zinc/36/18/05/166361805.db2.gz DAYJPDHSHGZODO-NEPJUHHUSA-N 1 0 201.313 3.180 10 30 BGEERO C=CC[N@@H+]1[C@@H](C)Cc2ccccc2[C@@H]1C ZINC000028247370 166361218 /nfs/dbraw/zinc/36/12/18/166361218.db2.gz DAYJPDHSHGZODO-RYUDHWBXSA-N 1 0 201.313 3.180 10 30 BGEERO CCC[N@@H+]1CCC[C@H]2CC3=C(CCCC3=O)C[C@@H]21 ZINC000028568415 169201614 /nfs/dbraw/zinc/20/16/14/169201614.db2.gz QLIKRYHBUISCTR-ZFWWWQNUSA-N 1 0 247.382 3.320 10 30 BGEERO CN/C(Cc1ccc2ccccc2c1Cl)=[NH+]\C ZINC000029412210 344600545 /nfs/dbraw/zinc/60/05/45/344600545.db2.gz UZCSJKBXTKGAQF-UHFFFAOYSA-N 1 0 246.741 3.283 10 30 BGEERO CN/C(Cc1ccc(-c2ccccc2)cc1)=[NH+]\C ZINC000029415284 344601877 /nfs/dbraw/zinc/60/18/77/344601877.db2.gz PKPKYCNODAORIQ-UHFFFAOYSA-N 1 0 238.334 3.144 10 30 BGEERO CCN/C(Cc1ccc2ccccc2c1)=[NH+]\CC ZINC000029463389 383967701 /nfs/dbraw/zinc/96/77/01/383967701.db2.gz FTMBEWKZWGSHDQ-UHFFFAOYSA-N 1 0 240.350 3.410 10 30 BGEERO CC(C)NC(=[NH2+])Cc1ccc2ccccc2c1 ZINC000029467343 344655731 /nfs/dbraw/zinc/65/57/31/344655731.db2.gz AJALTUVBLCITMW-UHFFFAOYSA-N 1 0 226.323 3.148 10 30 BGEERO C[C@](C#N)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000031622806 385089540 /nfs/dbraw/zinc/08/95/40/385089540.db2.gz BHQDNXUEOQZESE-MRXNPFEDSA-N 1 0 242.366 3.344 10 30 BGEERO C[C@@](C#N)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000031622809 176508234 /nfs/dbraw/zinc/50/82/34/176508234.db2.gz BHQDNXUEOQZESE-INIZCTEOSA-N 1 0 242.366 3.344 10 30 BGEERO C[NH+](C)CC[C@@H](C#N)c1ccc2ccccc2c1 ZINC000031623137 345590936 /nfs/dbraw/zinc/59/09/36/345590936.db2.gz QEDVOUKKGFBBBD-INIZCTEOSA-N 1 0 238.334 3.399 10 30 BGEERO C[NH+](C)CC[C@H](C#N)c1ccc2ccccc2c1 ZINC000031623138 345591246 /nfs/dbraw/zinc/59/12/46/345591246.db2.gz QEDVOUKKGFBBBD-MRXNPFEDSA-N 1 0 238.334 3.399 10 30 BGEERO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](C)C#N ZINC000031945871 187256672 /nfs/dbraw/zinc/25/66/72/187256672.db2.gz PWYLMVAFYZYJBQ-ZDUSSCGKSA-N 1 0 216.328 3.057 10 30 BGEERO CC(C)[N@@H+](Cc1ccccc1)C[C@H](C)C#N ZINC000031945872 187256434 /nfs/dbraw/zinc/25/64/34/187256434.db2.gz PWYLMVAFYZYJBQ-CYBMUJFWSA-N 1 0 216.328 3.057 10 30 BGEERO COc1ccc(/C=[NH+]/Cc2ccccc2)cc1 ZINC000032163538 175049137 /nfs/dbraw/zinc/04/91/37/175049137.db2.gz JVVLETNWSMVHLM-FOWTUZBSSA-N 1 0 225.291 3.314 10 30 BGEERO CCCCC/[NH+]=C/c1ccc(OC)cc1 ZINC000032163545 345734174 /nfs/dbraw/zinc/73/41/74/345734174.db2.gz ZSDWIMPRCWPYGZ-SDNWHVSQSA-N 1 0 205.301 3.304 10 30 BGEERO CC[N+](/C=C\C(=O)c1ccccc1)(CC)CC ZINC000033373985 344391385 /nfs/dbraw/zinc/39/13/85/344391385.db2.gz UNNNNEQEEUNECI-SEYXRHQNSA-N 1 0 232.347 3.260 10 30 BGEERO C=CC[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC000033496150 345800081 /nfs/dbraw/zinc/80/00/81/345800081.db2.gz BEXCQTCWQNYKBX-UHFFFAOYSA-N 1 0 205.345 3.073 10 30 BGEERO Clc1ccc(NC2=[NH+]CCC2)c(Cl)c1 ZINC000033755324 344931826 /nfs/dbraw/zinc/93/18/26/344931826.db2.gz HMFNCVBHZDSLKZ-UHFFFAOYSA-N 1 0 229.110 3.407 10 30 BGEERO CC[C@@H](C[N+](C)(C)C)C(=O)/C=C\c1ccccc1 ZINC000033888276 717123453 /nfs/dbraw/zinc/12/34/53/717123453.db2.gz QGZDQMFYZMOAEG-SSCKCOOKSA-N 1 0 246.374 3.001 10 30 BGEERO CC[C@H](C[N+](C)(C)C)C(=O)/C=C\c1ccccc1 ZINC000033888277 717123626 /nfs/dbraw/zinc/12/36/26/717123626.db2.gz QGZDQMFYZMOAEG-QYMJWVLRSA-N 1 0 246.374 3.001 10 30 BGEERO CCCCO/C=C/C#CC[N+](CC)(CC)CC ZINC000033984655 717123959 /nfs/dbraw/zinc/12/39/59/717123959.db2.gz YXQDZFVCWFEUIV-NTCAYCPXSA-N 1 0 238.395 3.197 10 30 BGEERO C=C[C@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000034061547 187286764 /nfs/dbraw/zinc/28/67/64/187286764.db2.gz VWZZWYPAUHOFME-CQSZACIVSA-N 1 0 203.329 3.377 10 30 BGEERO C=C[C@@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000034061548 187208238 /nfs/dbraw/zinc/20/82/38/187208238.db2.gz VWZZWYPAUHOFME-AWEZNQCLSA-N 1 0 203.329 3.377 10 30 BGEERO C=CC[NH+](CC=C)[C@@H](COC)c1ccccc1 ZINC000034485392 345835591 /nfs/dbraw/zinc/83/55/91/345835591.db2.gz HCIFBIUEEOBQJP-HNNXBMFYSA-N 1 0 231.339 3.048 10 30 BGEERO C=CC[N@H+]1C[C@H](C)[C@H](Nc2ccccc2)C[C@H]1C ZINC000034522476 345831222 /nfs/dbraw/zinc/83/12/22/345831222.db2.gz RBTRFNVMOGYJFF-SQWLQELKSA-N 1 0 244.382 3.383 10 30 BGEERO N#Cc1ccc(C2CC(C[NH+]3CCCC3)C2)cc1 ZINC000034567290 345832192 /nfs/dbraw/zinc/83/21/92/345832192.db2.gz BMLSWAXURMXWRS-UHFFFAOYSA-N 1 0 240.350 3.148 10 30 BGEERO N#CC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000034616024 181032696 /nfs/dbraw/zinc/03/26/96/181032696.db2.gz SRRYTQUNCUSJPQ-MQVJKMGUSA-N 1 0 240.350 3.343 10 30 BGEERO C=CCN(CC=C)c1ccccc1[C@H](C)[NH2+]C ZINC000034836964 166339070 /nfs/dbraw/zinc/33/90/70/166339070.db2.gz NFGASZWLRMPNLX-ZDUSSCGKSA-N 1 0 230.355 3.145 10 30 BGEERO C=CCN(CC=C)c1ccccc1[C@@H](C)[NH2+]C ZINC000034836966 166339831 /nfs/dbraw/zinc/33/98/31/166339831.db2.gz NFGASZWLRMPNLX-CYBMUJFWSA-N 1 0 230.355 3.145 10 30 BGEERO C=CCN(CC=C)c1cccc(F)c1[C@H](C)[NH2+]C ZINC000034836983 166339620 /nfs/dbraw/zinc/33/96/20/166339620.db2.gz QRGMSGWKIDHURH-LBPRGKRZSA-N 1 0 248.345 3.285 10 30 BGEERO C=CCN(CC=C)c1cccc(F)c1[C@@H](C)[NH2+]C ZINC000034836987 166336766 /nfs/dbraw/zinc/33/67/66/166336766.db2.gz QRGMSGWKIDHURH-GFCCVEGCSA-N 1 0 248.345 3.285 10 30 BGEERO C=CCN(CC=C)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000034837004 166338247 /nfs/dbraw/zinc/33/82/47/166338247.db2.gz NJELUEDLDVTOBT-ZDUSSCGKSA-N 1 0 230.355 3.145 10 30 BGEERO C=CCN(CC=C)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034837008 166337644 /nfs/dbraw/zinc/33/76/44/166337644.db2.gz NJELUEDLDVTOBT-CYBMUJFWSA-N 1 0 230.355 3.145 10 30 BGEERO C=C(C)CN(CC)c1ccccc1[C@@H](C)[NH2+]C ZINC000034840578 187546557 /nfs/dbraw/zinc/54/65/57/187546557.db2.gz WBTVPBJUFFHYCI-CYBMUJFWSA-N 1 0 232.371 3.369 10 30 BGEERO C/N=C1\C[C@@H](C)[N@H+](CCc2ccccc2)C[C@H]1C ZINC000034911636 187257653 /nfs/dbraw/zinc/25/76/53/187257653.db2.gz WUVCXGVANHXTKZ-BKJYESAMSA-N 1 0 244.382 3.030 10 30 BGEERO C/N=C1\C[C@H](C)[N@H+](CCc2ccccc2)C[C@H]1C ZINC000034911637 343279995 /nfs/dbraw/zinc/27/99/95/343279995.db2.gz WUVCXGVANHXTKZ-OVZRNVPMSA-N 1 0 244.382 3.030 10 30 BGEERO CC(C)c1ccc(C[NH+]2CCC(=NO)CC2)cc1 ZINC000034957512 351362977 /nfs/dbraw/zinc/36/29/77/351362977.db2.gz GSCCGIANZPICHG-UHFFFAOYSA-N 1 0 246.354 3.236 10 30 BGEERO N#CCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000034990829 181044077 /nfs/dbraw/zinc/04/40/77/181044077.db2.gz BGHCLESSJYDMKO-UHFFFAOYSA-N 1 0 244.338 3.011 10 30 BGEERO C=CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035285598 384403006 /nfs/dbraw/zinc/40/30/06/384403006.db2.gz ZRVVIKWFLKGXJV-ZETCQYMHSA-N 1 0 201.722 3.238 10 30 BGEERO C=CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035285599 342885540 /nfs/dbraw/zinc/88/55/40/342885540.db2.gz ZRVVIKWFLKGXJV-SSDOTTSWSA-N 1 0 201.722 3.238 10 30 BGEERO CC[C@@H]1CSC(Nc2ccc3c(c2)CCC3)=N1 ZINC000035294778 171114418 /nfs/dbraw/zinc/11/44/18/171114418.db2.gz ZNTNHPOLTDWXII-GFCCVEGCSA-N 1 0 246.379 3.278 10 30 BGEERO C[C@H](C#N)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000036667843 176553550 /nfs/dbraw/zinc/55/35/50/176553550.db2.gz JNRLJBFKZUOBLF-SUEGBPSZSA-N 1 0 246.398 3.341 10 30 BGEERO CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036787307 167367885 /nfs/dbraw/zinc/36/78/85/167367885.db2.gz OJQKVDIPSLXLDG-JHJVBQTASA-N 1 0 208.349 3.045 10 30 BGEERO CC(C)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036787308 187249714 /nfs/dbraw/zinc/24/97/14/187249714.db2.gz OJQKVDIPSLXLDG-YNEHKIRRSA-N 1 0 208.349 3.045 10 30 BGEERO CCC(CC)[N@H+](C)CCOc1ccccc1C#N ZINC000036789052 168368823 /nfs/dbraw/zinc/36/88/23/168368823.db2.gz LNGJQKSOWKQLNT-UHFFFAOYSA-N 1 0 246.354 3.057 10 30 BGEERO CCC(CC)[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000036789081 168369470 /nfs/dbraw/zinc/36/94/70/168369470.db2.gz HMNRGLHHKHMVLQ-DGCLKSJQSA-N 1 0 208.349 3.189 10 30 BGEERO CCC(CC)[N@H+](C)[C@H]1CCCC[C@@H]1C#N ZINC000036789082 168368762 /nfs/dbraw/zinc/36/87/62/168368762.db2.gz HMNRGLHHKHMVLQ-YPMHNXCESA-N 1 0 208.349 3.189 10 30 BGEERO CC(C)N[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 ZINC000036924642 167137376 /nfs/dbraw/zinc/13/73/76/167137376.db2.gz ICPFIGFZJNNHAO-YPMHNXCESA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)N[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 ZINC000036924643 167136015 /nfs/dbraw/zinc/13/60/15/167136015.db2.gz ICPFIGFZJNNHAO-AAEUAGOBSA-N 1 0 208.349 3.093 10 30 BGEERO N#Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000036962802 181145272 /nfs/dbraw/zinc/14/52/72/181145272.db2.gz JJFWPWGOOCMAEJ-UHFFFAOYSA-N 1 0 228.339 3.371 10 30 BGEERO CC1CC[NH+]([C@@H]2CCCCC[C@@H]2C#N)CC1 ZINC000037145561 168186721 /nfs/dbraw/zinc/18/67/21/168186721.db2.gz RQCGQSWHOASMMF-ZIAGYGMSSA-N 1 0 220.360 3.191 10 30 BGEERO CC1CC[NH+]([C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000037145562 168187596 /nfs/dbraw/zinc/18/75/96/168187596.db2.gz RQCGQSWHOASMMF-KGLIPLIRSA-N 1 0 220.360 3.191 10 30 BGEERO CC1CC[NH+]([C@@H]2CCCCC[C@H]2C#N)CC1 ZINC000037145563 168185876 /nfs/dbraw/zinc/18/58/76/168185876.db2.gz RQCGQSWHOASMMF-UONOGXRCSA-N 1 0 220.360 3.191 10 30 BGEERO CC1CC[NH+]([C@H]2CCCCC[C@H]2C#N)CC1 ZINC000037145564 168188033 /nfs/dbraw/zinc/18/80/33/168188033.db2.gz RQCGQSWHOASMMF-KBPBESRZSA-N 1 0 220.360 3.191 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([NH+]2CCCCCC2)C1 ZINC000037145817 176218847 /nfs/dbraw/zinc/21/88/47/176218847.db2.gz DTKOKWCBTVFVHF-MGPQQGTHSA-N 1 0 220.360 3.191 10 30 BGEERO C[C@@H]1CC[C@@H](C#N)[C@H]([NH+]2CCCCCC2)C1 ZINC000037145819 176194282 /nfs/dbraw/zinc/19/42/82/176194282.db2.gz DTKOKWCBTVFVHF-HZSPNIEDSA-N 1 0 220.360 3.191 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000037145955 348024110 /nfs/dbraw/zinc/02/41/10/348024110.db2.gz NISDYJPYZQQQFN-FVQBIDKESA-N 1 0 242.366 3.447 10 30 BGEERO C[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000037145957 348023849 /nfs/dbraw/zinc/02/38/49/348023849.db2.gz NISDYJPYZQQQFN-VNQPRFMTSA-N 1 0 242.366 3.447 10 30 BGEERO C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1C#N ZINC000037145963 348023571 /nfs/dbraw/zinc/02/35/71/348023571.db2.gz ICCMVMCEESTPCU-HUUCEWRRSA-N 1 0 228.339 3.201 10 30 BGEERO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1C#N ZINC000037145964 348023797 /nfs/dbraw/zinc/02/37/97/348023797.db2.gz ICCMVMCEESTPCU-CABCVRRESA-N 1 0 228.339 3.201 10 30 BGEERO CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000037146880 348023771 /nfs/dbraw/zinc/02/37/71/348023771.db2.gz FSRXDSJNILJRPS-HUUCEWRRSA-N 1 0 228.339 3.201 10 30 BGEERO CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000037146881 348024044 /nfs/dbraw/zinc/02/40/44/348024044.db2.gz FSRXDSJNILJRPS-CABCVRRESA-N 1 0 228.339 3.201 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C2CCCC2)C1 ZINC000037147074 176219047 /nfs/dbraw/zinc/21/90/47/176219047.db2.gz HNFGLWBCQXHKEA-YRGRVCCFSA-N 1 0 220.360 3.189 10 30 BGEERO C[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)C2CCCC2)C1 ZINC000037147076 176194675 /nfs/dbraw/zinc/19/46/75/176194675.db2.gz HNFGLWBCQXHKEA-MBNYWOFBSA-N 1 0 220.360 3.189 10 30 BGEERO CCC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1C#N ZINC000037147122 169049827 /nfs/dbraw/zinc/04/98/27/169049827.db2.gz AHVBQWORGPHACA-CHWSQXEVSA-N 1 0 208.349 3.189 10 30 BGEERO CCC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1C#N ZINC000037147123 169049603 /nfs/dbraw/zinc/04/96/03/169049603.db2.gz AHVBQWORGPHACA-OLZOCXBDSA-N 1 0 208.349 3.189 10 30 BGEERO CC[C@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C#N ZINC000037173127 171275221 /nfs/dbraw/zinc/27/52/21/171275221.db2.gz HLWQQIFXTBYHGJ-YNEHKIRRSA-N 1 0 208.349 3.047 10 30 BGEERO N#Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC000037249781 181144998 /nfs/dbraw/zinc/14/49/98/181144998.db2.gz KATLWYZBPYMXGC-UHFFFAOYSA-N 1 0 228.339 3.228 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000037255619 176144701 /nfs/dbraw/zinc/14/47/01/176144701.db2.gz ACBLYGOSZRBDSH-DOMZBBRYSA-N 1 0 228.339 3.227 10 30 BGEERO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000037255621 177137105 /nfs/dbraw/zinc/13/71/05/177137105.db2.gz ACBLYGOSZRBDSH-WFASDCNBSA-N 1 0 228.339 3.227 10 30 BGEERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000037255623 176123681 /nfs/dbraw/zinc/12/36/81/176123681.db2.gz ACBLYGOSZRBDSH-IUODEOHRSA-N 1 0 228.339 3.227 10 30 BGEERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000037255625 177123074 /nfs/dbraw/zinc/12/30/74/177123074.db2.gz ACBLYGOSZRBDSH-SWLSCSKDSA-N 1 0 228.339 3.227 10 30 BGEERO N#CCOc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000037509854 181044117 /nfs/dbraw/zinc/04/41/17/181044117.db2.gz PEJOGFGMSOFZRX-UHFFFAOYSA-N 1 0 244.338 3.011 10 30 BGEERO C=C(Br)C[NH2+][C@@H](C)c1cccs1 ZINC000037681353 712737890 /nfs/dbraw/zinc/73/78/90/712737890.db2.gz FOLXNSYQDNZATP-QMMMGPOBSA-N 1 0 246.173 3.307 10 30 BGEERO C=C(Br)C[NH2+][C@H](C)c1cccs1 ZINC000037681355 712737945 /nfs/dbraw/zinc/73/79/45/712737945.db2.gz FOLXNSYQDNZATP-MRVPVSSYSA-N 1 0 246.173 3.307 10 30 BGEERO C=C(Cl)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000037710549 187292825 /nfs/dbraw/zinc/29/28/25/187292825.db2.gz WCHOYRVUPDYIIT-SNVBAGLBSA-N 1 0 225.719 3.146 10 30 BGEERO C#CCCOc1ccc(C)cc1[C@H](C)[NH2+]CCC ZINC000037710973 166150528 /nfs/dbraw/zinc/15/05/28/166150528.db2.gz HHELGHKJIIHCRJ-AWEZNQCLSA-N 1 0 245.366 3.458 10 30 BGEERO C#CCCOc1ccc(C)cc1[C@@H](C)[NH2+]CCC ZINC000037710974 166149903 /nfs/dbraw/zinc/14/99/03/166149903.db2.gz HHELGHKJIIHCRJ-CQSZACIVSA-N 1 0 245.366 3.458 10 30 BGEERO N#Cc1ccccc1C[NH2+]CCC1CCCC1 ZINC000037741341 181144849 /nfs/dbraw/zinc/14/48/49/181144849.db2.gz BXPCYBBRKGEOSA-UHFFFAOYSA-N 1 0 228.339 3.228 10 30 BGEERO N#Cc1ccc(F)c(C[NH2+]CCC2CCCC2)c1 ZINC000037741343 181113154 /nfs/dbraw/zinc/11/31/54/181113154.db2.gz PIEWPQQTQUEBQD-UHFFFAOYSA-N 1 0 246.329 3.367 10 30 BGEERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000037748244 177113541 /nfs/dbraw/zinc/11/35/41/177113541.db2.gz FSVWTZDSKCSPQP-OCZCAGDBSA-N 1 0 242.366 3.473 10 30 BGEERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000037748522 177113861 /nfs/dbraw/zinc/11/38/61/177113861.db2.gz ITGKXDGTTLTOHT-OCZCAGDBSA-N 1 0 242.366 3.473 10 30 BGEERO Cc1ccccc1C[NH2+]Cc1ccccc1C#N ZINC000037855392 179283348 /nfs/dbraw/zinc/28/33/48/179283348.db2.gz ICTWIHNVIAHOHD-UHFFFAOYSA-N 1 0 236.318 3.157 10 30 BGEERO C[C@H](CC#N)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000037871110 134602886 /nfs/dbraw/zinc/60/28/86/134602886.db2.gz CJWBNNIZJFMWHZ-YLCQGBONSA-N 1 0 246.398 3.483 10 30 BGEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)CC2CC2)C1 ZINC000037925543 171045855 /nfs/dbraw/zinc/04/58/55/171045855.db2.gz PPXKMWAWUIBMER-MRVWCRGKSA-N 1 0 220.360 3.047 10 30 BGEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)CC2CC2)C1 ZINC000037925545 171026257 /nfs/dbraw/zinc/02/62/57/171026257.db2.gz PPXKMWAWUIBMER-KWCYVHTRSA-N 1 0 220.360 3.047 10 30 BGEERO CC(C)CN[C@](C)(C#N)CCc1ccccc1 ZINC000037939224 167015645 /nfs/dbraw/zinc/01/56/45/167015645.db2.gz BJTJKBRZVYEFOK-HNNXBMFYSA-N 1 0 230.355 3.147 10 30 BGEERO CC(C)CN[C@@](C)(C#N)CCc1ccccc1 ZINC000037939225 167012592 /nfs/dbraw/zinc/01/25/92/167012592.db2.gz BJTJKBRZVYEFOK-OAHLLOKOSA-N 1 0 230.355 3.147 10 30 BGEERO C#CC[NH2+]Cc1sc2ccccc2c1Cl ZINC000037977171 188354801 /nfs/dbraw/zinc/35/48/01/188354801.db2.gz LNLBTBBOXOBFJK-UHFFFAOYSA-N 1 0 235.739 3.278 10 30 BGEERO CC(C)CCC[NH2+]Cc1ccccc1OCC#N ZINC000037985025 166815412 /nfs/dbraw/zinc/81/54/12/166815412.db2.gz JWIJKQNGQRTYDT-UHFFFAOYSA-N 1 0 246.354 3.115 10 30 BGEERO CC(C)CCC[NH2+]Cc1cccc(OCC#N)c1 ZINC000038054733 166815157 /nfs/dbraw/zinc/81/51/57/166815157.db2.gz UHLZUSFRWZPFMH-UHFFFAOYSA-N 1 0 246.354 3.115 10 30 BGEERO CC[C@H](C)N[C@](C)(C#N)CCc1ccccc1 ZINC000038064733 171348826 /nfs/dbraw/zinc/34/88/26/171348826.db2.gz JDTNQMBDONFFMF-ZFWWWQNUSA-N 1 0 230.355 3.290 10 30 BGEERO CC[NH2+]Cc1ccc(-c2cccc(C#N)c2)cc1 ZINC000038070539 170126945 /nfs/dbraw/zinc/12/69/45/170126945.db2.gz IMPQDIPPWKVFQZ-UHFFFAOYSA-N 1 0 236.318 3.335 10 30 BGEERO C[C@H]([NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000038070545 176776098 /nfs/dbraw/zinc/77/60/98/176776098.db2.gz SNMYOGXKPMUXLW-NSHDSACASA-N 1 0 222.291 3.245 10 30 BGEERO C[C@@H]([NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000038070546 384063934 /nfs/dbraw/zinc/06/39/34/384063934.db2.gz SNMYOGXKPMUXLW-LLVKDONJSA-N 1 0 222.291 3.245 10 30 BGEERO C[C@H]([NH3+])c1ccccc1-c1cccc(C#N)c1 ZINC000038070547 176777396 /nfs/dbraw/zinc/77/73/96/176777396.db2.gz YZXXNNUEIAVWKN-NSHDSACASA-N 1 0 222.291 3.245 10 30 BGEERO C[C@@H]([NH3+])c1cccc(-c2cccc(C#N)c2)c1 ZINC000038070550 175818250 /nfs/dbraw/zinc/81/82/50/175818250.db2.gz UGTKSSYFICJYKS-LLVKDONJSA-N 1 0 222.291 3.245 10 30 BGEERO CC[NH2+]Cc1cccc(-c2cccc(C#N)c2)c1 ZINC000038070565 170127706 /nfs/dbraw/zinc/12/77/06/170127706.db2.gz FUIPGJUELSVWFG-UHFFFAOYSA-N 1 0 236.318 3.335 10 30 BGEERO N#Cc1cccc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038070568 181133906 /nfs/dbraw/zinc/13/39/06/181133906.db2.gz UHGFPDWUWTXZNM-UHFFFAOYSA-N 1 0 248.329 3.477 10 30 BGEERO CC[NH2+]Cc1ccccc1-c1cccc(C#N)c1 ZINC000038070576 170128441 /nfs/dbraw/zinc/12/84/41/170128441.db2.gz VOJJMKBKZQWBON-UHFFFAOYSA-N 1 0 236.318 3.335 10 30 BGEERO N#Cc1cccc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038070579 181133897 /nfs/dbraw/zinc/13/38/97/181133897.db2.gz FNOGYXMUNNSSBM-UHFFFAOYSA-N 1 0 248.329 3.477 10 30 BGEERO C[NH2+]Cc1cc(-c2cccc(C#N)c2)ccc1F ZINC000038070580 173385618 /nfs/dbraw/zinc/38/56/18/173385618.db2.gz UIERICWNHGXWCM-UHFFFAOYSA-N 1 0 240.281 3.084 10 30 BGEERO C[NH2+]Cc1ccc(-c2cccc(C#N)c2)cc1F ZINC000038070591 173388029 /nfs/dbraw/zinc/38/80/29/173388029.db2.gz HUZRDMRCERHKRG-UHFFFAOYSA-N 1 0 240.281 3.084 10 30 BGEERO C[NH2+]Cc1ccc(F)c(-c2cccc(C#N)c2)c1 ZINC000038070602 188116942 /nfs/dbraw/zinc/11/69/42/188116942.db2.gz PRAPAZSPRATUMR-UHFFFAOYSA-N 1 0 240.281 3.084 10 30 BGEERO C=C(Br)CN[C@H](C)c1ccc(C)o1 ZINC000038097763 384797111 /nfs/dbraw/zinc/79/71/11/384797111.db2.gz UYTIYSYTMXBCLV-SECBINFHSA-N 1 0 244.132 3.147 10 30 BGEERO O=CCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000038327582 368407747 /nfs/dbraw/zinc/40/77/47/368407747.db2.gz NLJLUZQQBGTECH-OAHLLOKOSA-N 1 0 231.339 3.020 10 30 BGEERO O=CCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000038327583 368407446 /nfs/dbraw/zinc/40/74/46/368407446.db2.gz NLJLUZQQBGTECH-HNNXBMFYSA-N 1 0 231.339 3.020 10 30 BGEERO C=C[C@@H](NCc1ccccc1)c1ccco1 ZINC000038673462 187317985 /nfs/dbraw/zinc/31/79/85/187317985.db2.gz PDUDEROCSCAUPO-CYBMUJFWSA-N 1 0 213.280 3.297 10 30 BGEERO C=CC[C@@H](Cc1ccc(C)c(C)c1)[NH2+]C ZINC000039105185 187321725 /nfs/dbraw/zinc/32/17/25/187321725.db2.gz KNKUMKPGTJVJOB-AWEZNQCLSA-N 1 0 203.329 3.010 10 30 BGEERO C/[NH+]=C(/c1ccccc1)N1C=CC=C(C)[C@H]1C ZINC000039110956 384106699 /nfs/dbraw/zinc/10/66/99/384106699.db2.gz FXDZTVATQVTIEJ-JFVSRZABSA-N 1 0 226.323 3.227 10 30 BGEERO C#CCC[NH+]1CCC(Cc2ccc(C)cc2)CC1 ZINC000039121631 352586511 /nfs/dbraw/zinc/58/65/11/352586511.db2.gz VQDSNCTXXPAAMC-UHFFFAOYSA-N 1 0 241.378 3.273 10 30 BGEERO C=CC[N@H+]1C[C@H](C)[C@@H](Nc2ccccc2)C[C@H]1C ZINC000039187808 350113303 /nfs/dbraw/zinc/11/33/03/350113303.db2.gz RBTRFNVMOGYJFF-LZWOXQAQSA-N 1 0 244.382 3.383 10 30 BGEERO C=Cc1ccc(C[S+](CC)CC)cc1 ZINC000039363504 360047409 /nfs/dbraw/zinc/04/74/09/360047409.db2.gz HDVDTYYCMVUFKV-UHFFFAOYSA-N 1 0 207.362 3.488 10 30 BGEERO CC(C)(C)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000039378931 166609978 /nfs/dbraw/zinc/60/99/78/166609978.db2.gz DPWIXZABHGWFHZ-UHFFFAOYSA-N 1 0 242.366 3.342 10 30 BGEERO CC(C)[NH+](CC[C@@H](C#N)c1ccccn1)C(C)C ZINC000039598942 368408970 /nfs/dbraw/zinc/40/89/70/368408970.db2.gz SCKTYTODRDHXJU-AWEZNQCLSA-N 1 0 245.370 3.198 10 30 BGEERO CC(C)[NH+](CC[C@H](C#N)c1ccccn1)C(C)C ZINC000039598944 368409847 /nfs/dbraw/zinc/40/98/47/368409847.db2.gz SCKTYTODRDHXJU-CQSZACIVSA-N 1 0 245.370 3.198 10 30 BGEERO C[C@@H](c1ccccc1)[C@H](C#N)N1CCCCC1 ZINC000041086164 176023075 /nfs/dbraw/zinc/02/30/75/176023075.db2.gz HHTZZHIBNRXPEY-ZFWWWQNUSA-N 1 0 228.339 3.168 10 30 BGEERO C=CC[NH+](CC=C)CC[C@@H](O)c1ccc(C)cc1 ZINC000041144753 166335981 /nfs/dbraw/zinc/33/59/81/166335981.db2.gz QANFNAALFUFJQU-MRXNPFEDSA-N 1 0 245.366 3.093 10 30 BGEERO C=CC[NH+](CC=C)CC[C@H](O)c1ccc(C)cc1 ZINC000041144754 166335441 /nfs/dbraw/zinc/33/54/41/166335441.db2.gz QANFNAALFUFJQU-INIZCTEOSA-N 1 0 245.366 3.093 10 30 BGEERO C=CC[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000041582065 166398694 /nfs/dbraw/zinc/39/86/94/166398694.db2.gz ZYMFNAMUURLJMX-UHFFFAOYSA-N 1 0 233.355 3.139 10 30 BGEERO C[NH2+]Cc1csc(-c2cccc(C#N)c2)c1 ZINC000042366076 173392808 /nfs/dbraw/zinc/39/28/08/173392808.db2.gz NSURAEHYMJGPMU-UHFFFAOYSA-N 1 0 228.320 3.006 10 30 BGEERO C=CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000042394964 188217199 /nfs/dbraw/zinc/21/71/99/188217199.db2.gz QJBPQBRSRNDVJT-JTQLQIEISA-N 1 0 226.117 3.025 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000042394967 188397509 /nfs/dbraw/zinc/39/75/09/188397509.db2.gz QJBPQBRSRNDVJT-SNVBAGLBSA-N 1 0 226.117 3.025 10 30 BGEERO C=CC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000042395068 187631551 /nfs/dbraw/zinc/63/15/51/187631551.db2.gz LYGJAAAMEMAEGL-JTQLQIEISA-N 1 0 215.218 3.281 10 30 BGEERO C=CC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000042395071 188150565 /nfs/dbraw/zinc/15/05/65/188150565.db2.gz LYGJAAAMEMAEGL-SNVBAGLBSA-N 1 0 215.218 3.281 10 30 BGEERO C[NH2+]Cc1cc(-c2cccc(C#N)c2)cs1 ZINC000042401967 173386165 /nfs/dbraw/zinc/38/61/65/173386165.db2.gz BKVJXNWWZNGJQX-UHFFFAOYSA-N 1 0 228.320 3.006 10 30 BGEERO CC[NH2+][C@@H](C)c1ccc(N(CC)CCC#N)cc1 ZINC000042450753 170141567 /nfs/dbraw/zinc/14/15/67/170141567.db2.gz SRZPRCPCQVXXTB-ZDUSSCGKSA-N 1 0 245.370 3.097 10 30 BGEERO CC[NH2+][C@H](C)c1ccc(N(CC)CCC#N)cc1 ZINC000042450755 170159390 /nfs/dbraw/zinc/15/93/90/170159390.db2.gz SRZPRCPCQVXXTB-CYBMUJFWSA-N 1 0 245.370 3.097 10 30 BGEERO CC[NH2+][C@@H](C)c1ccccc1N(CC)CCC#N ZINC000042450777 170141725 /nfs/dbraw/zinc/14/17/25/170141725.db2.gz FMQNURXTSAPKLK-ZDUSSCGKSA-N 1 0 245.370 3.097 10 30 BGEERO CC[NH2+][C@H](C)c1ccccc1N(CC)CCC#N ZINC000042450779 170160125 /nfs/dbraw/zinc/16/01/25/170160125.db2.gz FMQNURXTSAPKLK-CYBMUJFWSA-N 1 0 245.370 3.097 10 30 BGEERO N#CCCC[N@H+](Cc1ccsc1)C1CC1 ZINC000042468154 188151262 /nfs/dbraw/zinc/15/12/62/188151262.db2.gz NTUVOZABOZYKTP-UHFFFAOYSA-N 1 0 220.341 3.016 10 30 BGEERO CCC(CC)C[N@H+](CC)[C@@H](CC)CC#N ZINC000042487732 168349865 /nfs/dbraw/zinc/34/98/65/168349865.db2.gz IGMGNCYLTHCIIV-ZDUSSCGKSA-N 1 0 210.365 3.437 10 30 BGEERO CCC(CC)C[N@H+](CC)[C@H](CC)CC#N ZINC000042487733 168349564 /nfs/dbraw/zinc/34/95/64/168349564.db2.gz IGMGNCYLTHCIIV-CYBMUJFWSA-N 1 0 210.365 3.437 10 30 BGEERO CCC[N@H+](CC1CC1)[C@@H]1CCCC[C@@H]1C#N ZINC000042490271 169137435 /nfs/dbraw/zinc/13/74/35/169137435.db2.gz WDWONFXWMTZZKT-ZIAGYGMSSA-N 1 0 220.360 3.191 10 30 BGEERO CCC[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1C#N ZINC000042490272 169138738 /nfs/dbraw/zinc/13/87/38/169138738.db2.gz WDWONFXWMTZZKT-KGLIPLIRSA-N 1 0 220.360 3.191 10 30 BGEERO N#C[C@H]1CCC[C@@H]1N(Cc1cccs1)C1CC1 ZINC000042515812 181069001 /nfs/dbraw/zinc/06/90/01/181069001.db2.gz KEUKMAOPDLPTAG-RISCZKNCSA-N 1 0 246.379 3.405 10 30 BGEERO C[NH2+][C@@H](C)c1ccc(N(CCC#N)C(C)C)cc1 ZINC000042529044 173418820 /nfs/dbraw/zinc/41/88/20/173418820.db2.gz QAWGYSMVNSVRDR-ZDUSSCGKSA-N 1 0 245.370 3.095 10 30 BGEERO C[NH2+][C@H](C)c1ccccc1N(CCC#N)C(C)C ZINC000042529068 173449485 /nfs/dbraw/zinc/44/94/85/173449485.db2.gz UJNGHPXNVXVFQJ-CYBMUJFWSA-N 1 0 245.370 3.095 10 30 BGEERO CC(C)[N@@H+](CCC#N)CCCc1ccccc1 ZINC000042530721 188294107 /nfs/dbraw/zinc/29/41/07/188294107.db2.gz SFIUAMBMNUJHBX-UHFFFAOYSA-N 1 0 230.355 3.243 10 30 BGEERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1OCC#N ZINC000042553711 171365497 /nfs/dbraw/zinc/36/54/97/171365497.db2.gz LWJHJELTJUDARE-QWHCGFSZSA-N 1 0 246.354 3.113 10 30 BGEERO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1OCC#N ZINC000042553714 170791508 /nfs/dbraw/zinc/79/15/08/170791508.db2.gz LWJHJELTJUDARE-OLZOCXBDSA-N 1 0 246.354 3.113 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1OCC#N ZINC000042553717 171389331 /nfs/dbraw/zinc/38/93/31/171389331.db2.gz LWJHJELTJUDARE-STQMWFEESA-N 1 0 246.354 3.113 10 30 BGEERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000042553722 171366111 /nfs/dbraw/zinc/36/61/11/171366111.db2.gz ARGOKIQALUFYAT-QWHCGFSZSA-N 1 0 246.354 3.113 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000042553728 171389448 /nfs/dbraw/zinc/38/94/48/171389448.db2.gz ARGOKIQALUFYAT-STQMWFEESA-N 1 0 246.354 3.113 10 30 BGEERO CC(C)[N@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000042582934 188294041 /nfs/dbraw/zinc/29/40/41/188294041.db2.gz HIOHVAZORVTEIY-VHDGCEQUSA-N 1 0 234.387 3.435 10 30 BGEERO CC(C)[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1C#N ZINC000042582975 188120520 /nfs/dbraw/zinc/12/05/20/188120520.db2.gz SYJPJGFCSPQBDO-KGLIPLIRSA-N 1 0 220.360 3.189 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC000042862828 176077798 /nfs/dbraw/zinc/07/77/98/176077798.db2.gz VGOGLMSYQXNCLB-UKRRQHHQSA-N 1 0 242.366 3.474 10 30 BGEERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC000042862831 177079801 /nfs/dbraw/zinc/07/98/01/177079801.db2.gz VGOGLMSYQXNCLB-DZGCQCFKSA-N 1 0 242.366 3.474 10 30 BGEERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000042862834 176085798 /nfs/dbraw/zinc/08/57/98/176085798.db2.gz VGOGLMSYQXNCLB-HIFRSBDPSA-N 1 0 242.366 3.474 10 30 BGEERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC000042862837 177086001 /nfs/dbraw/zinc/08/60/01/177086001.db2.gz VGOGLMSYQXNCLB-ZFWWWQNUSA-N 1 0 242.366 3.474 10 30 BGEERO CCCCCCCCC[C@H](O)C[NH+](C)C ZINC000043531715 168651465 /nfs/dbraw/zinc/65/14/65/168651465.db2.gz RSLADXAQJZMDML-ZDUSSCGKSA-N 1 0 215.381 3.050 10 30 BGEERO C=CC[C@H]([NH3+])c1ccccc1Br ZINC000043560744 187529199 /nfs/dbraw/zinc/52/91/99/187529199.db2.gz ZSFOAYKIAKFWNZ-JTQLQIEISA-N 1 0 226.117 3.025 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccccc1Br ZINC000043560745 343158264 /nfs/dbraw/zinc/15/82/64/343158264.db2.gz ZSFOAYKIAKFWNZ-SNVBAGLBSA-N 1 0 226.117 3.025 10 30 BGEERO C=CC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000044138967 188326393 /nfs/dbraw/zinc/32/63/93/188326393.db2.gz XDXBTVVTMUEYAB-JTQLQIEISA-N 1 0 215.218 3.281 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000044138969 187292681 /nfs/dbraw/zinc/29/26/81/187292681.db2.gz XDXBTVVTMUEYAB-SNVBAGLBSA-N 1 0 215.218 3.281 10 30 BGEERO CCCCCCCC/C=C\C[C@@H](O)[C@H](C)[NH3+] ZINC000044351408 168648575 /nfs/dbraw/zinc/64/85/75/168648575.db2.gz APIMNRBWCSRKIX-HBZFWMSSSA-N 1 0 227.392 3.391 10 30 BGEERO C#CCOc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000045945512 192075485 /nfs/dbraw/zinc/07/54/85/192075485.db2.gz PEKBDNFIVVLFAC-UHFFFAOYSA-N 1 0 243.350 3.121 10 30 BGEERO C#CCOc1cccc(C[NH2+]CCCCCC)c1 ZINC000045945758 187395498 /nfs/dbraw/zinc/39/54/98/187395498.db2.gz LSXSBCQYGTVYBW-UHFFFAOYSA-N 1 0 245.366 3.369 10 30 BGEERO C=CC[C@@H](Cc1cc(F)cc(F)c1)[NH2+]CCC ZINC000049349509 187357992 /nfs/dbraw/zinc/35/79/92/187357992.db2.gz IRALHQQJTCLNFP-AWEZNQCLSA-N 1 0 239.309 3.452 10 30 BGEERO C=CC[C@H](Cc1cc(F)cc(F)c1)[NH2+]CCC ZINC000049349513 187705803 /nfs/dbraw/zinc/70/58/03/187705803.db2.gz IRALHQQJTCLNFP-CQSZACIVSA-N 1 0 239.309 3.452 10 30 BGEERO CC[C@@H]([NH3+])c1ccc(OCCCCC#N)cc1 ZINC000049578174 170870302 /nfs/dbraw/zinc/87/03/02/170870302.db2.gz BWOYYSZCZVHCFM-CQSZACIVSA-N 1 0 232.327 3.169 10 30 BGEERO C[C@@H]([NH3+])CCc1ccc(OCCCCC#N)cc1 ZINC000049578176 175805510 /nfs/dbraw/zinc/80/55/10/175805510.db2.gz WVJRXFPLIVTRBG-CYBMUJFWSA-N 1 0 246.354 3.039 10 30 BGEERO CC[C@H]([NH3+])c1ccccc1OCCCCC#N ZINC000049578181 171491261 /nfs/dbraw/zinc/49/12/61/171491261.db2.gz BBBSTJBJHAHQMW-ZDUSSCGKSA-N 1 0 232.327 3.169 10 30 BGEERO CC[C@@H]([NH3+])c1ccccc1OCCCCC#N ZINC000049578182 170871110 /nfs/dbraw/zinc/87/11/10/170871110.db2.gz BBBSTJBJHAHQMW-CYBMUJFWSA-N 1 0 232.327 3.169 10 30 BGEERO C[NH2+]Cc1cc(C)c(OCCCCC#N)c(C)c1 ZINC000049578206 173385899 /nfs/dbraw/zinc/38/58/99/173385899.db2.gz BYGDYACEHOIEAE-UHFFFAOYSA-N 1 0 246.354 3.096 10 30 BGEERO CCC[NH2+]Cc1ccc(OCCCCC#N)cc1 ZINC000049578213 169267850 /nfs/dbraw/zinc/26/78/50/169267850.db2.gz DZYGRHNCSSFEIU-UHFFFAOYSA-N 1 0 246.354 3.259 10 30 BGEERO CC(C)[NH2+]Cc1ccc(OCCCCC#N)cc1 ZINC000049578214 167118570 /nfs/dbraw/zinc/11/85/70/167118570.db2.gz LERMXZFTBLTTKF-UHFFFAOYSA-N 1 0 246.354 3.257 10 30 BGEERO CCC[NH2+]Cc1ccccc1OCCCCC#N ZINC000049578218 169267632 /nfs/dbraw/zinc/26/76/32/169267632.db2.gz KXYDJENPTITOAW-UHFFFAOYSA-N 1 0 246.354 3.259 10 30 BGEERO CC(C)[NH2+]Cc1ccccc1OCCCCC#N ZINC000049578219 167121910 /nfs/dbraw/zinc/12/19/10/167121910.db2.gz OIDNGFFEIQQLSG-UHFFFAOYSA-N 1 0 246.354 3.257 10 30 BGEERO CCC[NH2+]Cc1cccc(OCCCCC#N)c1 ZINC000049578243 169267640 /nfs/dbraw/zinc/26/76/40/169267640.db2.gz RZIBFRVCSLMJFN-UHFFFAOYSA-N 1 0 246.354 3.259 10 30 BGEERO CC(C)[NH2+]Cc1cccc(OCCCCC#N)c1 ZINC000049578244 167119690 /nfs/dbraw/zinc/11/96/90/167119690.db2.gz XKZGUXMHQNEQNY-UHFFFAOYSA-N 1 0 246.354 3.257 10 30 BGEERO CC[NH2+][C@@H](C)c1ccc(OCCCCC#N)cc1 ZINC000049578269 170141826 /nfs/dbraw/zinc/14/18/26/170141826.db2.gz RCCKGTQPLDRACQ-ZDUSSCGKSA-N 1 0 246.354 3.430 10 30 BGEERO CC[NH2+][C@H](C)c1ccc(OCCCCC#N)cc1 ZINC000049578270 170159590 /nfs/dbraw/zinc/15/95/90/170159590.db2.gz RCCKGTQPLDRACQ-CYBMUJFWSA-N 1 0 246.354 3.430 10 30 BGEERO CC[NH2+][C@@H](C)c1ccccc1OCCCCC#N ZINC000049578281 170141887 /nfs/dbraw/zinc/14/18/87/170141887.db2.gz OOQRSIDOCVIWJT-ZDUSSCGKSA-N 1 0 246.354 3.430 10 30 BGEERO CC[NH2+][C@H](C)c1ccccc1OCCCCC#N ZINC000049578282 170160384 /nfs/dbraw/zinc/16/03/84/170160384.db2.gz OOQRSIDOCVIWJT-CYBMUJFWSA-N 1 0 246.354 3.430 10 30 BGEERO C[NH2+][C@H](C)c1cccc(OCCCCC#N)c1 ZINC000049578292 173449404 /nfs/dbraw/zinc/44/94/04/173449404.db2.gz LDIUGRJPCXKKIX-GFCCVEGCSA-N 1 0 232.327 3.040 10 30 BGEERO CC[NH2+][C@@H](C)c1cccc(OCCCCC#N)c1 ZINC000049578293 170141920 /nfs/dbraw/zinc/14/19/20/170141920.db2.gz XYSNTDIBHQVNTL-ZDUSSCGKSA-N 1 0 246.354 3.430 10 30 BGEERO CC[NH2+][C@H](C)c1cccc(OCCCCC#N)c1 ZINC000049578294 170160382 /nfs/dbraw/zinc/16/03/82/170160382.db2.gz XYSNTDIBHQVNTL-CYBMUJFWSA-N 1 0 246.354 3.430 10 30 BGEERO N#CCCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000049578372 187270237 /nfs/dbraw/zinc/27/02/37/187270237.db2.gz IAWWJKXZPHIRLH-UHFFFAOYSA-N 1 0 232.371 3.239 10 30 BGEERO CCC[N@H+](CCCCC#N)Cc1ccc(N)cc1 ZINC000049578665 169154005 /nfs/dbraw/zinc/15/40/05/169154005.db2.gz ZHNFRAOEKUZOLU-UHFFFAOYSA-N 1 0 245.370 3.175 10 30 BGEERO CCC[N@H+](CCCCC#N)Cc1ccccc1N ZINC000049578667 169154285 /nfs/dbraw/zinc/15/42/85/169154285.db2.gz LYKLOKUARGURFC-UHFFFAOYSA-N 1 0 245.370 3.175 10 30 BGEERO CC(C)[N@H+](CCCCC#N)Cc1ccc(N)cc1 ZINC000049578668 187270184 /nfs/dbraw/zinc/27/01/84/187270184.db2.gz OGCGHWINXDYPIC-UHFFFAOYSA-N 1 0 245.370 3.173 10 30 BGEERO CC(C)[N@H+](CCCCC#N)Cc1cccc(N)c1 ZINC000049578669 188298423 /nfs/dbraw/zinc/29/84/23/188298423.db2.gz RXJRIEJYDTWDGM-UHFFFAOYSA-N 1 0 245.370 3.173 10 30 BGEERO CC(C)[N@H+](CCCCC#N)Cc1ccccc1N ZINC000049578670 187270214 /nfs/dbraw/zinc/27/02/14/187270214.db2.gz DFBPDDZLTDGCDK-UHFFFAOYSA-N 1 0 245.370 3.173 10 30 BGEERO CC[C@H]([NH3+])Cc1ccccc1OCCCCC#N ZINC000049579125 171486568 /nfs/dbraw/zinc/48/65/68/171486568.db2.gz JDAMDYGDKNGDFN-AWEZNQCLSA-N 1 0 246.354 3.039 10 30 BGEERO CC[C@@H]([NH3+])Cc1ccccc1OCCCCC#N ZINC000049579126 170866068 /nfs/dbraw/zinc/86/60/68/170866068.db2.gz JDAMDYGDKNGDFN-CQSZACIVSA-N 1 0 246.354 3.039 10 30 BGEERO C=CCSc1ccccc1NCc1ncc[nH]1 ZINC000049715508 188219180 /nfs/dbraw/zinc/21/91/80/188219180.db2.gz JNVCHMSLPYNIEP-UHFFFAOYSA-N 1 0 245.351 3.300 10 30 BGEERO C=CC[NH2+]CCC(=O)c1c(C)c(C)cc(C)c1C ZINC000049833887 166398958 /nfs/dbraw/zinc/39/89/58/166398958.db2.gz DFKBZALGTHSBTH-UHFFFAOYSA-N 1 0 245.366 3.269 10 30 BGEERO C=CC[NH2+]CC[C@@H](O)c1c(C)c(C)cc(C)c1C ZINC000049835914 166398744 /nfs/dbraw/zinc/39/87/44/166398744.db2.gz LPBBIPBOGWKWOB-OAHLLOKOSA-N 1 0 247.382 3.119 10 30 BGEERO C=CC[NH2+]CC[C@H](O)c1c(C)c(C)cc(C)c1C ZINC000049835915 166398442 /nfs/dbraw/zinc/39/84/42/166398442.db2.gz LPBBIPBOGWKWOB-HNNXBMFYSA-N 1 0 247.382 3.119 10 30 BGEERO C=C(C)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000049855307 353170200 /nfs/dbraw/zinc/17/02/00/353170200.db2.gz LAIIYIBTQIUDEQ-GFCCVEGCSA-N 1 0 203.329 3.476 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000049855309 353168948 /nfs/dbraw/zinc/16/89/48/353168948.db2.gz LAIIYIBTQIUDEQ-LBPRGKRZSA-N 1 0 203.329 3.476 10 30 BGEERO C[NH2+]Cc1ccc(-c2ccc(C#N)s2)cc1 ZINC000050266926 173388055 /nfs/dbraw/zinc/38/80/55/173388055.db2.gz KCCGXUCJYBSHFZ-UHFFFAOYSA-N 1 0 228.320 3.006 10 30 BGEERO C[NH2+]Cc1cc(-c2ccc(C#N)s2)cs1 ZINC000050266932 173384669 /nfs/dbraw/zinc/38/46/69/173384669.db2.gz ISIBAOHSEBBPKL-UHFFFAOYSA-N 1 0 234.349 3.068 10 30 BGEERO CC[C@@H]1CSC(Nc2cc(C#N)ccc2C)=N1 ZINC000050430713 171114391 /nfs/dbraw/zinc/11/43/91/171114391.db2.gz DJJBOJWXEOJRIQ-LLVKDONJSA-N 1 0 245.351 3.160 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)C1 ZINC000050564782 177104455 /nfs/dbraw/zinc/10/44/55/177104455.db2.gz RMOWPULWRPDUKX-GZBLMMOJSA-N 1 0 234.387 3.435 10 30 BGEERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2C#N)[C@@H]1C ZINC000050564800 176103049 /nfs/dbraw/zinc/10/30/49/176103049.db2.gz FWSMFTWDUIMBQI-AAVRWANBSA-N 1 0 220.360 3.189 10 30 BGEERO C[C@@H]1[C@@H](C)CCC[N@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000050564801 177104260 /nfs/dbraw/zinc/10/42/60/177104260.db2.gz FWSMFTWDUIMBQI-REWJHTLYSA-N 1 0 220.360 3.189 10 30 BGEERO C#CC[C@@H]([NH2+]CC)c1cccc(C(F)(F)F)c1 ZINC000051074621 166204732 /nfs/dbraw/zinc/20/47/32/166204732.db2.gz LEOWENYEVOUDTH-GFCCVEGCSA-N 1 0 241.256 3.379 10 30 BGEERO C#CC[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000051074709 187357181 /nfs/dbraw/zinc/35/71/81/187357181.db2.gz CQHJVTLYBQOHAP-INIZCTEOSA-N 1 0 235.330 3.169 10 30 BGEERO C#CC[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000051074711 187357564 /nfs/dbraw/zinc/35/75/64/187357564.db2.gz CQHJVTLYBQOHAP-MRXNPFEDSA-N 1 0 235.330 3.169 10 30 BGEERO CC[N@H+](CC1(C=O)CCCC1)C1CCCCC1 ZINC000051175079 169807614 /nfs/dbraw/zinc/80/76/14/169807614.db2.gz UWSMONZGIDGESJ-UHFFFAOYSA-N 1 0 237.387 3.400 10 30 BGEERO C[C@@H]1C[C@H](C)C[N@@H+](CC2(C=O)CCCCC2)C1 ZINC000051175129 177313776 /nfs/dbraw/zinc/31/37/76/177313776.db2.gz DQHRCZUDRVDSTH-OKILXGFUSA-N 1 0 237.387 3.114 10 30 BGEERO C[C@H]1C[C@H](C)C[NH+](CC2(C=O)CCCCC2)C1 ZINC000051175131 177358448 /nfs/dbraw/zinc/35/84/48/177358448.db2.gz DQHRCZUDRVDSTH-KBPBESRZSA-N 1 0 237.387 3.114 10 30 BGEERO C[C@@H]1C[C@@H](C)C[NH+](CC2(C=O)CCCCC2)C1 ZINC000051175133 176361099 /nfs/dbraw/zinc/36/10/99/176361099.db2.gz DQHRCZUDRVDSTH-ZIAGYGMSSA-N 1 0 237.387 3.114 10 30 BGEERO CCC(C=O)(CC)C[N@H+](C)Cc1ccccc1 ZINC000051175734 168311339 /nfs/dbraw/zinc/31/13/39/168311339.db2.gz DCJPAPSTQVDDNT-UHFFFAOYSA-N 1 0 233.355 3.124 10 30 BGEERO CCC(C=O)(CC)C[N@H+](C)Cc1ccc(C)cc1 ZINC000051176154 168311234 /nfs/dbraw/zinc/31/12/34/168311234.db2.gz PEAWREIRMMFGKG-UHFFFAOYSA-N 1 0 247.382 3.432 10 30 BGEERO CC[N@H+](Cc1ccccc1)C[C@@](C)(C=O)CC ZINC000051176300 169914728 /nfs/dbraw/zinc/91/47/28/169914728.db2.gz PHJSVMSRFJTDQI-HNNXBMFYSA-N 1 0 233.355 3.124 10 30 BGEERO CCC[N@H+](C[C@](C)(C=O)c1ccccc1)C1CC1 ZINC000051176631 169172750 /nfs/dbraw/zinc/17/27/50/169172750.db2.gz LOEGRLRTDHTNLW-MRXNPFEDSA-N 1 0 245.366 3.018 10 30 BGEERO CC[N@H+](CC1(C=O)CCCCC1)C1CCCC1 ZINC000051176862 169807749 /nfs/dbraw/zinc/80/77/49/169807749.db2.gz RRULRHRLNZEHCC-UHFFFAOYSA-N 1 0 237.387 3.400 10 30 BGEERO CCC[C@@H](C)[N@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000051177145 169364625 /nfs/dbraw/zinc/36/46/25/169364625.db2.gz VHVBPXCQVPVQIV-ZBFHGGJFSA-N 1 0 247.382 3.264 10 30 BGEERO O=CC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000051177279 182849444 /nfs/dbraw/zinc/84/94/44/182849444.db2.gz IFFNYEMALYXWFJ-LSDHHAIUSA-N 1 0 249.398 3.258 10 30 BGEERO C[C@@H]1CCC[N@H+](CC2(C=O)CCCCC2)[C@@H]1C ZINC000051177420 176097179 /nfs/dbraw/zinc/09/71/79/176097179.db2.gz HYTSEOWFZUZIET-ZIAGYGMSSA-N 1 0 237.387 3.256 10 30 BGEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C=O)CCCCC1 ZINC000051177422 177096837 /nfs/dbraw/zinc/09/68/37/177096837.db2.gz HYTSEOWFZUZIET-UONOGXRCSA-N 1 0 237.387 3.256 10 30 BGEERO CC(C)C[NH+](CC(C)C)CC1(C=O)CCCC1 ZINC000051177676 166950480 /nfs/dbraw/zinc/95/04/80/166950480.db2.gz LMZVGZCWBNTTDY-UHFFFAOYSA-N 1 0 239.403 3.360 10 30 BGEERO CC[C@@](C)(C=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000051178329 171163922 /nfs/dbraw/zinc/16/39/22/171163922.db2.gz STUIDFJSJIGDQY-HUUCEWRRSA-N 1 0 237.387 3.256 10 30 BGEERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C=O)CCCC1 ZINC000051179176 176078903 /nfs/dbraw/zinc/07/89/03/176078903.db2.gz LYMVRVKDPOFIOP-KGLIPLIRSA-N 1 0 237.387 3.256 10 30 BGEERO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C=O)CCCC1 ZINC000051179178 177081111 /nfs/dbraw/zinc/08/11/11/177081111.db2.gz LYMVRVKDPOFIOP-KBPBESRZSA-N 1 0 237.387 3.256 10 30 BGEERO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C=O)CCCC1 ZINC000051179179 176086600 /nfs/dbraw/zinc/08/66/00/176086600.db2.gz LYMVRVKDPOFIOP-ZIAGYGMSSA-N 1 0 237.387 3.256 10 30 BGEERO C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C=O)CCCC1 ZINC000051179181 177087108 /nfs/dbraw/zinc/08/71/08/177087108.db2.gz LYMVRVKDPOFIOP-UONOGXRCSA-N 1 0 237.387 3.256 10 30 BGEERO CCC(C=O)(CC)C[N@H+](C)Cc1ccccc1C ZINC000051179238 168310628 /nfs/dbraw/zinc/31/06/28/168310628.db2.gz OQQGWXBXCISEJB-UHFFFAOYSA-N 1 0 247.382 3.432 10 30 BGEERO CCC(C=O)(CC)C[N@H+](Cc1ccco1)C1CC1 ZINC000051204688 168311673 /nfs/dbraw/zinc/31/16/73/168311673.db2.gz PWKQJPHSPWXGIL-UHFFFAOYSA-N 1 0 249.354 3.249 10 30 BGEERO CCC(C=O)(CC)C[N@H+](C)Cc1cccc(C)c1 ZINC000051205129 168311533 /nfs/dbraw/zinc/31/15/33/168311533.db2.gz VPFVUUFWRDPJEC-UHFFFAOYSA-N 1 0 247.382 3.432 10 30 BGEERO C=CCN(CC=C)C[C@@](C)(CCC)C[NH2+]CC ZINC000051216303 166334391 /nfs/dbraw/zinc/33/43/91/166334391.db2.gz WBFRPCPROSDYEO-HNNXBMFYSA-N 1 0 238.419 3.076 10 30 BGEERO C=CCN(CC=C)C[C@](C)(CCC)C[NH2+]CC ZINC000051216304 166335120 /nfs/dbraw/zinc/33/51/20/166335120.db2.gz WBFRPCPROSDYEO-OAHLLOKOSA-N 1 0 238.419 3.076 10 30 BGEERO C=CCN(CC=C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051216337 166335633 /nfs/dbraw/zinc/33/56/33/166335633.db2.gz PIVTYJCESWGLNO-UHFFFAOYSA-N 1 0 238.419 3.075 10 30 BGEERO C=CCN(CC=C)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051216380 166335520 /nfs/dbraw/zinc/33/55/20/166335520.db2.gz RZTYNWPXHUIJMB-HNNXBMFYSA-N 1 0 238.419 3.075 10 30 BGEERO C=CCN(CC=C)C[C@](C)(CC)C[NH2+]C(C)C ZINC000051216381 166335183 /nfs/dbraw/zinc/33/51/83/166335183.db2.gz RZTYNWPXHUIJMB-OAHLLOKOSA-N 1 0 238.419 3.075 10 30 BGEERO CC[NH+](CC)C[C@H](C)Nc1cc(C)ccc1C#N ZINC000051580433 169788659 /nfs/dbraw/zinc/78/86/59/169788659.db2.gz IRHRQKPPFLXTKY-ZDUSSCGKSA-N 1 0 245.370 3.009 10 30 BGEERO CC#CCOc1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000051662437 188399978 /nfs/dbraw/zinc/39/99/78/188399978.db2.gz UZZWFPAWOFDVCO-ZDUSSCGKSA-N 1 0 231.339 3.149 10 30 BGEERO CC#CCOc1ccccc1[C@H](C)[NH2+]CCC ZINC000051662458 188399851 /nfs/dbraw/zinc/39/98/51/188399851.db2.gz FNIBEIPXLZCBQR-ZDUSSCGKSA-N 1 0 231.339 3.149 10 30 BGEERO CC#CCOc1cccc([C@H](C)[NH2+]CCC)c1 ZINC000051662479 188399847 /nfs/dbraw/zinc/39/98/47/188399847.db2.gz ILFCAKBODUQGTN-ZDUSSCGKSA-N 1 0 231.339 3.149 10 30 BGEERO CC#CCOc1cccc([C@@H](C)[NH2+]CCC)c1 ZINC000051662481 187357219 /nfs/dbraw/zinc/35/72/19/187357219.db2.gz ILFCAKBODUQGTN-CYBMUJFWSA-N 1 0 231.339 3.149 10 30 BGEERO CC#CCOc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000051662529 187357602 /nfs/dbraw/zinc/35/76/02/187357602.db2.gz VPKOMDFIGFPCLR-GFCCVEGCSA-N 1 0 239.318 3.262 10 30 BGEERO CC#CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000051663363 322851311 /nfs/dbraw/zinc/85/13/11/322851311.db2.gz HUXVJAGJBKIKLJ-JTQLQIEISA-N 1 0 207.704 3.014 10 30 BGEERO CC#CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000051663485 385874376 /nfs/dbraw/zinc/87/43/76/385874376.db2.gz BTWVFBIEOMNAOI-QMMMGPOBSA-N 1 0 213.733 3.075 10 30 BGEERO CC#CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000051663486 384702204 /nfs/dbraw/zinc/70/22/04/384702204.db2.gz BTWVFBIEOMNAOI-MRVPVSSYSA-N 1 0 213.733 3.075 10 30 BGEERO CC#CC[C@H]([NH2+]CCC)c1ccc(OC)cc1 ZINC000051664913 187357655 /nfs/dbraw/zinc/35/76/55/187357655.db2.gz SKAMOENWWRRAMP-HNNXBMFYSA-N 1 0 231.339 3.149 10 30 BGEERO CC#CC[C@H]([NH2+]C)c1cccc(Cl)c1 ZINC000051665206 350022629 /nfs/dbraw/zinc/02/26/29/350022629.db2.gz IWDQMJVHTDXDJN-LBPRGKRZSA-N 1 0 207.704 3.014 10 30 BGEERO CC#CC[C@@H]([NH2+]C)c1cccc(Cl)c1 ZINC000051665208 350022538 /nfs/dbraw/zinc/02/25/38/350022538.db2.gz IWDQMJVHTDXDJN-GFCCVEGCSA-N 1 0 207.704 3.014 10 30 BGEERO CC#CC[C@H](CCc1ccccc1)[NH2+]CCC ZINC000051665666 187357036 /nfs/dbraw/zinc/35/70/36/187357036.db2.gz NDJFWDUZVYRCEH-MRXNPFEDSA-N 1 0 229.367 3.401 10 30 BGEERO CC#CC[C@H]([NH2+]CCC)c1cc(F)cc(F)c1 ZINC000051665767 188399980 /nfs/dbraw/zinc/39/99/80/188399980.db2.gz UIKQCKJLINOAHD-AWEZNQCLSA-N 1 0 237.293 3.419 10 30 BGEERO CC#CC[C@@H](Cc1cccc(C)c1)[NH2+]CCC ZINC000051665823 187706335 /nfs/dbraw/zinc/70/63/35/187706335.db2.gz XFHFGQHPQFBIAD-INIZCTEOSA-N 1 0 229.367 3.319 10 30 BGEERO CC#CC[C@H](Cc1cccc(C)c1)[NH2+]CCC ZINC000051665825 188045838 /nfs/dbraw/zinc/04/58/38/188045838.db2.gz XFHFGQHPQFBIAD-MRXNPFEDSA-N 1 0 229.367 3.319 10 30 BGEERO CC#CC[C@H]([NH2+]C)c1ccccc1Cl ZINC000051665939 350022450 /nfs/dbraw/zinc/02/24/50/350022450.db2.gz ARJGIIYLSXODOH-LBPRGKRZSA-N 1 0 207.704 3.014 10 30 BGEERO CC#CC[C@@H]([NH2+]C)c1ccccc1Cl ZINC000051665941 350022659 /nfs/dbraw/zinc/02/26/59/350022659.db2.gz ARJGIIYLSXODOH-GFCCVEGCSA-N 1 0 207.704 3.014 10 30 BGEERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1C#N ZINC000051731804 177165720 /nfs/dbraw/zinc/16/57/20/177165720.db2.gz ZVIZBNLHZXCTPO-QWHCGFSZSA-N 1 0 228.339 3.179 10 30 BGEERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000051731817 177165971 /nfs/dbraw/zinc/16/59/71/177165971.db2.gz FQFWVFDDBHDQLG-QWHCGFSZSA-N 1 0 228.339 3.179 10 30 BGEERO CC#CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCC ZINC000051752979 187357832 /nfs/dbraw/zinc/35/78/32/187357832.db2.gz BPVVVNNNTNZOEV-INIZCTEOSA-N 1 0 229.367 3.319 10 30 BGEERO CC#CC[C@H](Cc1ccc(C)cc1)[NH2+]CCC ZINC000051752981 188046865 /nfs/dbraw/zinc/04/68/65/188046865.db2.gz BPVVVNNNTNZOEV-MRXNPFEDSA-N 1 0 229.367 3.319 10 30 BGEERO C[C@H]([NH2+]CC#Cc1ccccc1)c1cccs1 ZINC000051814136 322851956 /nfs/dbraw/zinc/85/19/56/322851956.db2.gz LKAXHUPCNDBXOC-ZDUSSCGKSA-N 1 0 241.359 3.450 10 30 BGEERO C[C@@H]([NH2+]CC#Cc1ccccc1)c1cccs1 ZINC000051814137 384706366 /nfs/dbraw/zinc/70/63/66/384706366.db2.gz LKAXHUPCNDBXOC-CYBMUJFWSA-N 1 0 241.359 3.450 10 30 BGEERO C(#Cc1ccccc1)C[NH2+]CCC1CCCC1 ZINC000051814177 166225127 /nfs/dbraw/zinc/22/51/27/166225127.db2.gz PODYWFNWRLHRSM-UHFFFAOYSA-N 1 0 227.351 3.208 10 30 BGEERO CC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC000051814281 636025283 /nfs/dbraw/zinc/02/52/83/636025283.db2.gz FLOIAEDIYYYXDD-HNNXBMFYSA-N 1 0 215.340 3.062 10 30 BGEERO CC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC000051814282 636025538 /nfs/dbraw/zinc/02/55/38/636025538.db2.gz FLOIAEDIYYYXDD-OAHLLOKOSA-N 1 0 215.340 3.062 10 30 BGEERO CC1([NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000051814399 168063007 /nfs/dbraw/zinc/06/30/07/168063007.db2.gz CLPGUJPWRPMJKD-UHFFFAOYSA-N 1 0 227.351 3.351 10 30 BGEERO C=C[C@H](C)Oc1ccc(C[NH2+]CCC)cc1OC ZINC000052141178 187531345 /nfs/dbraw/zinc/53/13/45/187531345.db2.gz LHFMVDLVQXZSLN-LBPRGKRZSA-N 1 0 249.354 3.148 10 30 BGEERO C=C[C@H](C)Oc1c(C[NH2+]CC)cccc1OCC ZINC000052141224 187358456 /nfs/dbraw/zinc/35/84/56/187358456.db2.gz IDXYEKPQYPCJJG-LBPRGKRZSA-N 1 0 249.354 3.148 10 30 BGEERO C=C[C@@H](C)Oc1ccc([C@H](C)[NH2+]CC)cc1OC ZINC000052141317 187358981 /nfs/dbraw/zinc/35/89/81/187358981.db2.gz XNDRLSCSTPTIEW-NEPJUHHUSA-N 1 0 249.354 3.319 10 30 BGEERO C=C[C@@H](C)Oc1ccc([C@@H](C)[NH2+]CC)cc1OC ZINC000052141318 188046709 /nfs/dbraw/zinc/04/67/09/188046709.db2.gz XNDRLSCSTPTIEW-VXGBXAGGSA-N 1 0 249.354 3.319 10 30 BGEERO C=C(C)CN(CC)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052423174 187358762 /nfs/dbraw/zinc/35/87/62/187358762.db2.gz GEQUPPGHXZOMNC-CQSZACIVSA-N 1 0 240.435 3.297 10 30 BGEERO C=CCOCc1c2ccccc2sc1C[NH2+]C ZINC000052598708 166420816 /nfs/dbraw/zinc/42/08/16/166420816.db2.gz KIAUSYVDHHAZGN-UHFFFAOYSA-N 1 0 247.363 3.323 10 30 BGEERO C=CCCOCc1occc1C[NH2+]C(C)(C)C ZINC000052599395 166271554 /nfs/dbraw/zinc/27/15/54/166271554.db2.gz ILVJQQWTKUUDNW-UHFFFAOYSA-N 1 0 237.343 3.260 10 30 BGEERO C=CCCOCc1ccc(C[NH2+]CC(C)C)o1 ZINC000052599418 166270371 /nfs/dbraw/zinc/27/03/71/166270371.db2.gz HTFAVFHHJZESKK-UHFFFAOYSA-N 1 0 237.343 3.118 10 30 BGEERO C=CCCOCc1cc(C[NH2+]CCC)oc1C ZINC000052599688 166270684 /nfs/dbraw/zinc/27/06/84/166270684.db2.gz CNLJRBJJBBCFOB-UHFFFAOYSA-N 1 0 237.343 3.180 10 30 BGEERO C=CCCO[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052599722 166274357 /nfs/dbraw/zinc/27/43/57/166274357.db2.gz XEGOKRGAIOKFCU-HNNXBMFYSA-N 1 0 233.355 3.318 10 30 BGEERO C=CCCO[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052599724 166289618 /nfs/dbraw/zinc/28/96/18/166289618.db2.gz XEGOKRGAIOKFCU-OAHLLOKOSA-N 1 0 233.355 3.318 10 30 BGEERO C=CCc1ccccc1O[C@@H](C)C[NH2+]CC(C)C ZINC000053042447 188219999 /nfs/dbraw/zinc/21/99/99/188219999.db2.gz WQSLCVKRIFOHHJ-AWEZNQCLSA-N 1 0 247.382 3.428 10 30 BGEERO C=CCc1ccccc1O[C@H](CC)C[NH2+]C1CC1 ZINC000053042482 187358393 /nfs/dbraw/zinc/35/83/93/187358393.db2.gz GDYWJMSAJWMMCF-OAHLLOKOSA-N 1 0 245.366 3.325 10 30 BGEERO C=CCc1ccccc1OCCC[NH2+]CC(C)C ZINC000053042584 188046903 /nfs/dbraw/zinc/04/69/03/188046903.db2.gz NUSYOGZYNZYALD-UHFFFAOYSA-N 1 0 247.382 3.430 10 30 BGEERO C=CC[NH2+]CCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000053557582 166398329 /nfs/dbraw/zinc/39/83/29/166398329.db2.gz JCJQHMRQFIOVSL-RBSFLKMASA-N 1 0 239.403 3.239 10 30 BGEERO C=CC[NH2+]CCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000053557588 166398885 /nfs/dbraw/zinc/39/88/85/166398885.db2.gz JCJQHMRQFIOVSL-RRFJBIMHSA-N 1 0 239.403 3.239 10 30 BGEERO C=CC[NH2+]CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000053557590 166399527 /nfs/dbraw/zinc/39/95/27/166399527.db2.gz JCJQHMRQFIOVSL-QLFBSQMISA-N 1 0 239.403 3.239 10 30 BGEERO C=CC[NH2+]CCO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000053557594 166399675 /nfs/dbraw/zinc/39/96/75/166399675.db2.gz JCJQHMRQFIOVSL-SOUVJXGZSA-N 1 0 239.403 3.239 10 30 BGEERO C=CC[NH2+]CCOc1ccc(C)cc1C(C)(C)C ZINC000053563859 166399118 /nfs/dbraw/zinc/39/91/18/166399118.db2.gz MOGLUEZEJHYWIW-UHFFFAOYSA-N 1 0 247.382 3.447 10 30 BGEERO C#CC[NH2+]C[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000053565868 166188898 /nfs/dbraw/zinc/18/88/98/166188898.db2.gz JVJMSAUJGRVWDX-AWEZNQCLSA-N 1 0 245.366 3.109 10 30 BGEERO C#CC[NH2+]C[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000053565871 166187592 /nfs/dbraw/zinc/18/75/92/166187592.db2.gz JVJMSAUJGRVWDX-CQSZACIVSA-N 1 0 245.366 3.109 10 30 BGEERO C=CC[NH2+]C[C@H](C)Oc1cccc2ccccc21 ZINC000053567171 187870933 /nfs/dbraw/zinc/87/09/33/187870933.db2.gz VPCXRRSJQAGVRK-ZDUSSCGKSA-N 1 0 241.334 3.383 10 30 BGEERO C=CC[NH2+]C[C@@H](C)Oc1cccc2ccccc21 ZINC000053567172 188046901 /nfs/dbraw/zinc/04/69/01/188046901.db2.gz VPCXRRSJQAGVRK-CYBMUJFWSA-N 1 0 241.334 3.383 10 30 BGEERO C=CC[NH2+]C[C@@H](C)Oc1ccccc1C(C)C ZINC000053567536 187358027 /nfs/dbraw/zinc/35/80/27/187358027.db2.gz HLRQCNDTKBFVFM-CYBMUJFWSA-N 1 0 233.355 3.353 10 30 BGEERO C=CC[NH2+]C[C@@H](C)Oc1ccccc1OCCC ZINC000053567991 188046699 /nfs/dbraw/zinc/04/66/99/188046699.db2.gz IUEXCYUGWFEGSQ-CYBMUJFWSA-N 1 0 249.354 3.018 10 30 BGEERO C=CC[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1C ZINC000053586034 188219922 /nfs/dbraw/zinc/21/99/22/188219922.db2.gz FAPBWNMJBUQZQL-ZDUSSCGKSA-N 1 0 233.355 3.155 10 30 BGEERO C#CC[NH2+]C[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000053588604 166188931 /nfs/dbraw/zinc/18/89/31/166188931.db2.gz FKPCEINSBBWLRA-AWEZNQCLSA-N 1 0 245.366 3.109 10 30 BGEERO C#CC[NH2+]C[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000053588605 166187711 /nfs/dbraw/zinc/18/77/11/166187711.db2.gz FKPCEINSBBWLRA-CQSZACIVSA-N 1 0 245.366 3.109 10 30 BGEERO C#CC[C@@H](Cc1cc(C)cc(C)c1)[NH2+]CCC ZINC000053749732 188047902 /nfs/dbraw/zinc/04/79/02/188047902.db2.gz TXKCDYAWVPPYJA-INIZCTEOSA-N 1 0 229.367 3.237 10 30 BGEERO C#CC[C@H](Cc1cc(C)cc(C)c1)[NH2+]CCC ZINC000053749735 166206393 /nfs/dbraw/zinc/20/63/93/166206393.db2.gz TXKCDYAWVPPYJA-MRXNPFEDSA-N 1 0 229.367 3.237 10 30 BGEERO C=CCN(CC=C)CC[C@H]([NH2+]C)c1ccccc1 ZINC000053933123 166334852 /nfs/dbraw/zinc/33/48/52/166334852.db2.gz CASZOKBISAJUGO-INIZCTEOSA-N 1 0 244.382 3.011 10 30 BGEERO C=CCN(CC=C)CC[C@@H]([NH2+]C)c1ccccc1 ZINC000053933125 166333828 /nfs/dbraw/zinc/33/38/28/166333828.db2.gz CASZOKBISAJUGO-MRXNPFEDSA-N 1 0 244.382 3.011 10 30 BGEERO C=CC[NH+](CC=C)CCC(=O)c1cccc(F)c1 ZINC000053974481 166334215 /nfs/dbraw/zinc/33/42/15/166334215.db2.gz TWPYJMHBYXCZBX-UHFFFAOYSA-N 1 0 247.313 3.073 10 30 BGEERO C=CC[NH+](CC=C)CCC(=O)c1ccccc1C ZINC000054013685 166334196 /nfs/dbraw/zinc/33/41/96/166334196.db2.gz HULSAYJWFRFNNN-UHFFFAOYSA-N 1 0 243.350 3.242 10 30 BGEERO C=CCN(CC=C)CC[C@@H]([NH3+])c1ccccc1C ZINC000054017489 166333738 /nfs/dbraw/zinc/33/37/38/166333738.db2.gz ZLPROOUCHUPCDU-MRXNPFEDSA-N 1 0 244.382 3.059 10 30 BGEERO C=CCN(CC=C)CC[C@H]([NH3+])c1ccccc1C ZINC000054017491 166334232 /nfs/dbraw/zinc/33/42/32/166334232.db2.gz ZLPROOUCHUPCDU-INIZCTEOSA-N 1 0 244.382 3.059 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000054182110 636048901 /nfs/dbraw/zinc/04/89/01/636048901.db2.gz OYOSFCXFJLLOEF-YNEHKIRRSA-N 1 0 222.376 3.483 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000054182114 636048714 /nfs/dbraw/zinc/04/87/14/636048714.db2.gz OYOSFCXFJLLOEF-XQQFMLRXSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054822779 358876404 /nfs/dbraw/zinc/87/64/04/358876404.db2.gz HNJGFPRGPYLPBN-IACUBPJLSA-N 1 0 214.312 3.029 10 30 BGEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054822781 134771827 /nfs/dbraw/zinc/77/18/27/134771827.db2.gz HNJGFPRGPYLPBN-YUTCNCBUSA-N 1 0 214.312 3.029 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054822783 344457074 /nfs/dbraw/zinc/45/70/74/344457074.db2.gz BNESKDQQHWZCEK-NWANDNLSSA-N 1 0 228.339 3.420 10 30 BGEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000054822785 344457187 /nfs/dbraw/zinc/45/71/87/344457187.db2.gz BNESKDQQHWZCEK-CFVMTHIKSA-N 1 0 228.339 3.420 10 30 BGEERO N#C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822951 344457745 /nfs/dbraw/zinc/45/77/45/344457745.db2.gz NKGUMYLQQYOGLE-HUUCEWRRSA-N 1 0 228.339 3.249 10 30 BGEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000054822952 344457765 /nfs/dbraw/zinc/45/77/65/344457765.db2.gz NKGUMYLQQYOGLE-CABCVRRESA-N 1 0 228.339 3.249 10 30 BGEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822953 344457648 /nfs/dbraw/zinc/45/76/48/344457648.db2.gz NKGUMYLQQYOGLE-LSDHHAIUSA-N 1 0 228.339 3.249 10 30 BGEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000054822954 344457463 /nfs/dbraw/zinc/45/74/63/344457463.db2.gz NKGUMYLQQYOGLE-GJZGRUSLSA-N 1 0 228.339 3.249 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000054823537 643675148 /nfs/dbraw/zinc/67/51/48/643675148.db2.gz OMRXKEOYBNRNMG-TZMCWYRMSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000054823538 640410784 /nfs/dbraw/zinc/41/07/84/640410784.db2.gz OMRXKEOYBNRNMG-OCCSQVGLSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000054823539 640412338 /nfs/dbraw/zinc/41/23/38/640412338.db2.gz OMRXKEOYBNRNMG-GXTWGEPZSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000054823540 640411363 /nfs/dbraw/zinc/41/13/63/640411363.db2.gz OMRXKEOYBNRNMG-JSGCOSHPSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000054823653 344457877 /nfs/dbraw/zinc/45/78/77/344457877.db2.gz TUPNWJZYTUECKZ-UKRRQHHQSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000054823654 344457625 /nfs/dbraw/zinc/45/76/25/344457625.db2.gz TUPNWJZYTUECKZ-HIFRSBDPSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000054823655 344457452 /nfs/dbraw/zinc/45/74/52/344457452.db2.gz TUPNWJZYTUECKZ-DZGCQCFKSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000054823656 344457817 /nfs/dbraw/zinc/45/78/17/344457817.db2.gz TUPNWJZYTUECKZ-ZFWWWQNUSA-N 1 0 246.329 3.040 10 30 BGEERO CC1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054823847 344457763 /nfs/dbraw/zinc/45/77/63/344457763.db2.gz IBWTWPQRRCCOBP-FKZOYECMSA-N 1 0 220.360 3.237 10 30 BGEERO CC1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054823848 344457739 /nfs/dbraw/zinc/45/77/39/344457739.db2.gz IBWTWPQRRCCOBP-HHTDUIENSA-N 1 0 220.360 3.237 10 30 BGEERO CC1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054823849 344457675 /nfs/dbraw/zinc/45/76/75/344457675.db2.gz IBWTWPQRRCCOBP-GNRIBBGQSA-N 1 0 220.360 3.237 10 30 BGEERO CC1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000054823850 344457758 /nfs/dbraw/zinc/45/77/58/344457758.db2.gz IBWTWPQRRCCOBP-YIOUJQMASA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054824063 344457588 /nfs/dbraw/zinc/45/75/88/344457588.db2.gz CADYVZOSHLXJGZ-YIYPIFLZSA-N 1 0 220.360 3.237 10 30 BGEERO N#C[C@H]1CCCCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824079 181068300 /nfs/dbraw/zinc/06/83/00/181068300.db2.gz OWTNIBOWPYZDIL-TZMCWYRMSA-N 1 0 248.395 3.353 10 30 BGEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824080 181067697 /nfs/dbraw/zinc/06/76/97/181067697.db2.gz OWTNIBOWPYZDIL-OCCSQVGLSA-N 1 0 248.395 3.353 10 30 BGEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824081 181059022 /nfs/dbraw/zinc/05/90/22/181059022.db2.gz OWTNIBOWPYZDIL-GXTWGEPZSA-N 1 0 248.395 3.353 10 30 BGEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824082 181058972 /nfs/dbraw/zinc/05/89/72/181058972.db2.gz OWTNIBOWPYZDIL-JSGCOSHPSA-N 1 0 248.395 3.353 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054824261 384821529 /nfs/dbraw/zinc/82/15/29/384821529.db2.gz MJPRUGHAMWCKLG-HUUCEWRRSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054824262 384820830 /nfs/dbraw/zinc/82/08/30/384820830.db2.gz MJPRUGHAMWCKLG-CABCVRRESA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054824263 384821244 /nfs/dbraw/zinc/82/12/44/384821244.db2.gz MJPRUGHAMWCKLG-LSDHHAIUSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000054824264 384820976 /nfs/dbraw/zinc/82/09/76/384820976.db2.gz MJPRUGHAMWCKLG-GJZGRUSLSA-N 1 0 228.339 3.167 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@@H]1C ZINC000054824281 322857466 /nfs/dbraw/zinc/85/74/66/322857466.db2.gz ULHKVLHQECYPLZ-XGFWRYKXSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@@H]1C ZINC000054824285 344457831 /nfs/dbraw/zinc/45/78/31/344457831.db2.gz PZNJWIGKYHUIRW-ARILJUKYSA-N 1 0 234.387 3.483 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000054824813 344456618 /nfs/dbraw/zinc/45/66/18/344456618.db2.gz YBVVRHGQHMXUJU-TZMCWYRMSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000054824814 344456556 /nfs/dbraw/zinc/45/65/56/344456556.db2.gz YBVVRHGQHMXUJU-OCCSQVGLSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000054824815 344456421 /nfs/dbraw/zinc/45/64/21/344456421.db2.gz YBVVRHGQHMXUJU-GXTWGEPZSA-N 1 0 220.360 3.381 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000054824816 344456388 /nfs/dbraw/zinc/45/63/88/344456388.db2.gz YBVVRHGQHMXUJU-JSGCOSHPSA-N 1 0 220.360 3.381 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054824917 344456970 /nfs/dbraw/zinc/45/69/70/344456970.db2.gz SNNQRHSIYIDRQE-YIYPIFLZSA-N 1 0 220.360 3.237 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000054824941 344457101 /nfs/dbraw/zinc/45/71/01/344457101.db2.gz YSCKVWQPURLXRE-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000054824942 344457167 /nfs/dbraw/zinc/45/71/67/344457167.db2.gz YSCKVWQPURLXRE-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000054824943 344457092 /nfs/dbraw/zinc/45/70/92/344457092.db2.gz YSCKVWQPURLXRE-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000054824944 344457176 /nfs/dbraw/zinc/45/71/76/344457176.db2.gz YSCKVWQPURLXRE-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054824954 344457133 /nfs/dbraw/zinc/45/71/33/344457133.db2.gz OYDOZFCARGLXAY-YNEHKIRRSA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054824956 344457185 /nfs/dbraw/zinc/45/71/85/344457185.db2.gz OYDOZFCARGLXAY-XQQFMLRXSA-N 1 0 208.349 3.093 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825285 640411105 /nfs/dbraw/zinc/41/11/05/640411105.db2.gz NYBTZUGWDOSQOP-UKRRQHHQSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825286 640414284 /nfs/dbraw/zinc/41/42/84/640414284.db2.gz NYBTZUGWDOSQOP-HIFRSBDPSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825287 640412871 /nfs/dbraw/zinc/41/28/71/640412871.db2.gz NYBTZUGWDOSQOP-DZGCQCFKSA-N 1 0 246.329 3.040 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825288 640414370 /nfs/dbraw/zinc/41/43/70/640414370.db2.gz NYBTZUGWDOSQOP-ZFWWWQNUSA-N 1 0 246.329 3.040 10 30 BGEERO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054825573 344471677 /nfs/dbraw/zinc/47/16/77/344471677.db2.gz XJUJHWCSTGYSPU-UKRRQHHQSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054825574 344471838 /nfs/dbraw/zinc/47/18/38/344471838.db2.gz XJUJHWCSTGYSPU-HIFRSBDPSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054825575 344471722 /nfs/dbraw/zinc/47/17/22/344471722.db2.gz XJUJHWCSTGYSPU-DZGCQCFKSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054825576 344471943 /nfs/dbraw/zinc/47/19/43/344471943.db2.gz XJUJHWCSTGYSPU-ZFWWWQNUSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825585 344471965 /nfs/dbraw/zinc/47/19/65/344471965.db2.gz GYJICODQNWNKBV-HUUCEWRRSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000054825586 344471901 /nfs/dbraw/zinc/47/19/01/344471901.db2.gz GYJICODQNWNKBV-CABCVRRESA-N 1 0 228.339 3.167 10 30 BGEERO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000054825587 344471686 /nfs/dbraw/zinc/47/16/86/344471686.db2.gz GYJICODQNWNKBV-LSDHHAIUSA-N 1 0 228.339 3.167 10 30 BGEERO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000054825588 344471758 /nfs/dbraw/zinc/47/17/58/344471758.db2.gz GYJICODQNWNKBV-GJZGRUSLSA-N 1 0 228.339 3.167 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000054825597 344471797 /nfs/dbraw/zinc/47/17/97/344471797.db2.gz VCXDWQUQIULBDJ-HZPDHXFCSA-N 1 0 242.366 3.291 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000054825598 344471705 /nfs/dbraw/zinc/47/17/05/344471705.db2.gz VCXDWQUQIULBDJ-CVEARBPZSA-N 1 0 242.366 3.291 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000054825599 344472490 /nfs/dbraw/zinc/47/24/90/344472490.db2.gz VCXDWQUQIULBDJ-JKSUJKDBSA-N 1 0 242.366 3.291 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000054825600 344472225 /nfs/dbraw/zinc/47/22/25/344472225.db2.gz VCXDWQUQIULBDJ-HOTGVXAUSA-N 1 0 242.366 3.291 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC000054825609 344472205 /nfs/dbraw/zinc/47/22/05/344472205.db2.gz JHRLKDZYYGDYQK-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000054825610 344472347 /nfs/dbraw/zinc/47/23/47/344472347.db2.gz JHRLKDZYYGDYQK-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC000054825611 344472463 /nfs/dbraw/zinc/47/24/63/344472463.db2.gz JHRLKDZYYGDYQK-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000054825612 344472329 /nfs/dbraw/zinc/47/23/29/344472329.db2.gz JHRLKDZYYGDYQK-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000054825617 322857610 /nfs/dbraw/zinc/85/76/10/322857610.db2.gz ZRHBUCHSNXHVFH-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000054825618 322857473 /nfs/dbraw/zinc/85/74/73/322857473.db2.gz ZRHBUCHSNXHVFH-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000054825619 384741952 /nfs/dbraw/zinc/74/19/52/384741952.db2.gz ZRHBUCHSNXHVFH-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000054825620 384743565 /nfs/dbraw/zinc/74/35/65/384743565.db2.gz ZRHBUCHSNXHVFH-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000054825735 136373162 /nfs/dbraw/zinc/37/31/62/136373162.db2.gz XEVYANGHDMBEHK-TZMCWYRMSA-N 1 0 246.379 3.061 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000054825736 136373108 /nfs/dbraw/zinc/37/31/08/136373108.db2.gz XEVYANGHDMBEHK-OCCSQVGLSA-N 1 0 246.379 3.061 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000054825737 136373254 /nfs/dbraw/zinc/37/32/54/136373254.db2.gz XEVYANGHDMBEHK-GXTWGEPZSA-N 1 0 246.379 3.061 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000054825738 136373088 /nfs/dbraw/zinc/37/30/88/136373088.db2.gz XEVYANGHDMBEHK-JSGCOSHPSA-N 1 0 246.379 3.061 10 30 BGEERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054825783 344472292 /nfs/dbraw/zinc/47/22/92/344472292.db2.gz DEHUAJLEBSIPLE-UKRRQHHQSA-N 1 0 242.366 3.246 10 30 BGEERO CC(C)(C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054825784 344472259 /nfs/dbraw/zinc/47/22/59/344472259.db2.gz DEHUAJLEBSIPLE-HIFRSBDPSA-N 1 0 242.366 3.246 10 30 BGEERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000054825785 344472242 /nfs/dbraw/zinc/47/22/42/344472242.db2.gz DEHUAJLEBSIPLE-DZGCQCFKSA-N 1 0 242.366 3.246 10 30 BGEERO CC(C)(C[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000054825786 344472310 /nfs/dbraw/zinc/47/23/10/344472310.db2.gz DEHUAJLEBSIPLE-ZFWWWQNUSA-N 1 0 242.366 3.246 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000054826325 384743794 /nfs/dbraw/zinc/74/37/94/384743794.db2.gz FHRRDBIGMTYUJV-TZMCWYRMSA-N 1 0 248.757 3.164 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000054826326 384744047 /nfs/dbraw/zinc/74/40/47/384744047.db2.gz FHRRDBIGMTYUJV-OCCSQVGLSA-N 1 0 248.757 3.164 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000054826327 384744813 /nfs/dbraw/zinc/74/48/13/384744813.db2.gz FHRRDBIGMTYUJV-GXTWGEPZSA-N 1 0 248.757 3.164 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000054826328 384743925 /nfs/dbraw/zinc/74/39/25/384743925.db2.gz FHRRDBIGMTYUJV-JSGCOSHPSA-N 1 0 248.757 3.164 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826410 344472560 /nfs/dbraw/zinc/47/25/60/344472560.db2.gz TWXRTRYUUFTXRF-WUHRBBMRSA-N 1 0 208.349 3.093 10 30 BGEERO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826428 640414489 /nfs/dbraw/zinc/41/44/89/640414489.db2.gz VXIONZAPXSDSEM-YNEHKIRRSA-N 1 0 208.349 3.237 10 30 BGEERO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826430 634561263 /nfs/dbraw/zinc/56/12/63/634561263.db2.gz VXIONZAPXSDSEM-XQQFMLRXSA-N 1 0 208.349 3.237 10 30 BGEERO CCC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054826483 384743306 /nfs/dbraw/zinc/74/33/06/384743306.db2.gz DZPYORRCKXQIIX-FKZOYECMSA-N 1 0 220.360 3.237 10 30 BGEERO CCC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054826484 384744875 /nfs/dbraw/zinc/74/48/75/384744875.db2.gz DZPYORRCKXQIIX-HHTDUIENSA-N 1 0 220.360 3.237 10 30 BGEERO CCC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054826485 384744584 /nfs/dbraw/zinc/74/45/84/384744584.db2.gz DZPYORRCKXQIIX-GNRIBBGQSA-N 1 0 220.360 3.237 10 30 BGEERO CCC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054826486 384744981 /nfs/dbraw/zinc/74/49/81/384744981.db2.gz DZPYORRCKXQIIX-YIOUJQMASA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C(C)C ZINC000054826511 344471844 /nfs/dbraw/zinc/47/18/44/344471844.db2.gz PRCYTQKVSSLXTD-FRRDWIJNSA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C(C)C ZINC000054826513 344471853 /nfs/dbraw/zinc/47/18/53/344471853.db2.gz PRCYTQKVSSLXTD-AGIUHOORSA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826520 384745357 /nfs/dbraw/zinc/74/53/57/384745357.db2.gz JXNQIKYOPPRXRO-BFHYXJOUSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826522 322857500 /nfs/dbraw/zinc/85/75/00/322857500.db2.gz JXNQIKYOPPRXRO-MJBXVCDLSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826590 384890641 /nfs/dbraw/zinc/89/06/41/384890641.db2.gz GEPJWXYDHMSJPE-MRVWCRGKSA-N 1 0 248.395 3.351 10 30 BGEERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054826593 384890494 /nfs/dbraw/zinc/89/04/94/384890494.db2.gz GEPJWXYDHMSJPE-BNOWGMLFSA-N 1 0 248.395 3.351 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826961 384743351 /nfs/dbraw/zinc/74/33/51/384743351.db2.gz ZAJTYLJVDVPAPP-GZBFAFLISA-N 1 0 228.339 3.338 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826964 322857556 /nfs/dbraw/zinc/85/75/56/322857556.db2.gz ZAJTYLJVDVPAPP-GUTXKFCHSA-N 1 0 228.339 3.338 10 30 BGEERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827262 369100954 /nfs/dbraw/zinc/10/09/54/369100954.db2.gz LXRKWTFUCTUHDB-UMVBOHGHSA-N 1 0 246.354 3.273 10 30 BGEERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054827266 369101150 /nfs/dbraw/zinc/10/11/50/369101150.db2.gz LXRKWTFUCTUHDB-NFAWXSAZSA-N 1 0 246.354 3.273 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054827396 384744078 /nfs/dbraw/zinc/74/40/78/384744078.db2.gz ZXHWWYONVFOQSI-AAVRWANBSA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054827404 369101129 /nfs/dbraw/zinc/10/11/29/369101129.db2.gz SQWPFBIECJDRTP-KBUPBQIOSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054827592 322857478 /nfs/dbraw/zinc/85/74/78/322857478.db2.gz QFXXNQCVMCGYOQ-FVQBIDKESA-N 1 0 242.366 3.290 10 30 BGEERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054827598 384744790 /nfs/dbraw/zinc/74/47/90/384744790.db2.gz QFXXNQCVMCGYOQ-BMFZPTHFSA-N 1 0 242.366 3.290 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000054827782 491128446 /nfs/dbraw/zinc/12/84/46/491128446.db2.gz ZPKWGMRLYAJBTP-KLHDSHLOSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000054828472 369100365 /nfs/dbraw/zinc/10/03/65/369100365.db2.gz FEMRZXGPNPEXCW-IHRRRGAJSA-N 1 0 218.344 3.015 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000054828475 369100444 /nfs/dbraw/zinc/10/04/44/369100444.db2.gz FEMRZXGPNPEXCW-MELADBBJSA-N 1 0 218.344 3.015 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)s1 ZINC000054828698 384902672 /nfs/dbraw/zinc/90/26/72/384902672.db2.gz GXKSUVCQLPTXKL-DGCLKSJQSA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)s1 ZINC000054828702 411528778 /nfs/dbraw/zinc/52/87/78/411528778.db2.gz GXKSUVCQLPTXKL-YPMHNXCESA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)s1 ZINC000054828703 398283472 /nfs/dbraw/zinc/28/34/72/398283472.db2.gz GXKSUVCQLPTXKL-WCQYABFASA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)s1 ZINC000054828706 398283545 /nfs/dbraw/zinc/28/35/45/398283545.db2.gz GXKSUVCQLPTXKL-AAEUAGOBSA-N 1 0 234.368 3.229 10 30 BGEERO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054829021 369100579 /nfs/dbraw/zinc/10/05/79/369100579.db2.gz PQAOUWFIVNSAHO-YNEHKIRRSA-N 1 0 208.349 3.237 10 30 BGEERO CCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054829026 369101948 /nfs/dbraw/zinc/10/19/48/369101948.db2.gz PQAOUWFIVNSAHO-XQQFMLRXSA-N 1 0 208.349 3.237 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054829201 387829988 /nfs/dbraw/zinc/82/99/88/387829988.db2.gz NXNVOSOWUOYWLQ-QLFBSQMISA-N 1 0 228.339 3.420 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054829207 387830214 /nfs/dbraw/zinc/83/02/14/387830214.db2.gz NXNVOSOWUOYWLQ-ILXRZTDVSA-N 1 0 228.339 3.420 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000054829354 384745435 /nfs/dbraw/zinc/74/54/35/384745435.db2.gz HGLXHTBWVPCIPH-ZIAGYGMSSA-N 1 0 218.344 3.159 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000054829356 384744602 /nfs/dbraw/zinc/74/46/02/384744602.db2.gz HGLXHTBWVPCIPH-KGLIPLIRSA-N 1 0 218.344 3.159 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000054829358 384742028 /nfs/dbraw/zinc/74/20/28/384742028.db2.gz HGLXHTBWVPCIPH-UONOGXRCSA-N 1 0 218.344 3.159 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000054829360 322857722 /nfs/dbraw/zinc/85/77/22/322857722.db2.gz HGLXHTBWVPCIPH-KBPBESRZSA-N 1 0 218.344 3.159 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054829657 384743866 /nfs/dbraw/zinc/74/38/66/384743866.db2.gz WQAATBQQLIISQD-IACUBPJLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000054829663 384744362 /nfs/dbraw/zinc/74/43/62/384744362.db2.gz WQAATBQQLIISQD-YUTCNCBUSA-N 1 0 220.360 3.237 10 30 BGEERO N#CC[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000055014872 181044932 /nfs/dbraw/zinc/04/49/32/181044932.db2.gz GWZBWNMDDYIKRT-CQSZACIVSA-N 1 0 214.312 3.174 10 30 BGEERO N#CC[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000055014874 181045678 /nfs/dbraw/zinc/04/56/78/181045678.db2.gz GWZBWNMDDYIKRT-AWEZNQCLSA-N 1 0 214.312 3.174 10 30 BGEERO N#CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000055018058 181044889 /nfs/dbraw/zinc/04/48/89/181044889.db2.gz ZAYBYLXFXJJIRH-OAHLLOKOSA-N 1 0 240.350 3.420 10 30 BGEERO N#CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000055018061 181045838 /nfs/dbraw/zinc/04/58/38/181045838.db2.gz ZAYBYLXFXJJIRH-HNNXBMFYSA-N 1 0 240.350 3.420 10 30 BGEERO C[C@@H]1CCC[N@@H+]([C@@H](CC#N)c2ccccc2)C1 ZINC000055019916 176103157 /nfs/dbraw/zinc/10/31/57/176103157.db2.gz IJFVXENRDVCZGY-HIFRSBDPSA-N 1 0 228.339 3.373 10 30 BGEERO C[C@H]1CCC[N@@H+]([C@@H](CC#N)c2ccccc2)C1 ZINC000055019917 177104060 /nfs/dbraw/zinc/10/40/60/177104060.db2.gz IJFVXENRDVCZGY-ZFWWWQNUSA-N 1 0 228.339 3.373 10 30 BGEERO C[C@@H]1CCC[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020240 176110803 /nfs/dbraw/zinc/11/08/03/176110803.db2.gz QPRBTMLQHNKFKN-OCCSQVGLSA-N 1 0 214.312 3.126 10 30 BGEERO C=CCNc1ccc([NH+](CC)CC)cc1 ZINC000058475941 187323152 /nfs/dbraw/zinc/32/31/52/187323152.db2.gz MUBNZARRPMCNBX-UHFFFAOYSA-N 1 0 204.317 3.131 10 30 BGEERO CCCCCCCOc1cccc(C(N)=[NH2+])c1 ZINC000059089402 349203510 /nfs/dbraw/zinc/20/35/10/349203510.db2.gz PWRMFIPHUUKDAA-UHFFFAOYSA-N 1 0 234.343 3.320 10 30 BGEERO CCCCCCCCCSCC[NH3+] ZINC000059089439 398328257 /nfs/dbraw/zinc/32/82/57/398328257.db2.gz DMTIFMNXXARTON-UHFFFAOYSA-N 1 0 203.395 3.429 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+][C@@H](C)COC ZINC000059089757 385038858 /nfs/dbraw/zinc/03/88/58/385038858.db2.gz JRIWJAJLSSDEOP-OLZOCXBDSA-N 1 0 215.381 3.360 10 30 BGEERO CCCCCCC[C@H](C)[NH2+][C@@H](C)COC ZINC000059089758 385038547 /nfs/dbraw/zinc/03/85/47/385038547.db2.gz JRIWJAJLSSDEOP-STQMWFEESA-N 1 0 215.381 3.360 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+]CCCOC ZINC000059090247 385039709 /nfs/dbraw/zinc/03/97/09/385039709.db2.gz VSKLEDBALYOEHW-CYBMUJFWSA-N 1 0 215.381 3.362 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]CCCOC ZINC000059090248 385038954 /nfs/dbraw/zinc/03/89/54/385038954.db2.gz VSKLEDBALYOEHW-ZDUSSCGKSA-N 1 0 215.381 3.362 10 30 BGEERO CCCCCCCCC[NH2+]CCCOC ZINC000059099981 168651181 /nfs/dbraw/zinc/65/11/81/168651181.db2.gz OJFCJHVLNIXNBN-UHFFFAOYSA-N 1 0 215.381 3.363 10 30 BGEERO C[NH+](C)/C=C/C=C1\C(=O)c2cccc3cccc1c23 ZINC000059602488 640821333 /nfs/dbraw/zinc/82/13/33/640821333.db2.gz UBOWARPBLXPFPJ-IFRKAEHOSA-N 1 0 249.313 3.495 10 30 BGEERO C=C(C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362146 344921622 /nfs/dbraw/zinc/92/16/22/344921622.db2.gz RDENTZMIHIEDQZ-LLVKDONJSA-N 1 0 207.342 3.291 10 30 BGEERO C=C(C)C[NH2+][C@H]1CCCc2sccc21 ZINC000061362147 344921700 /nfs/dbraw/zinc/92/17/00/344921700.db2.gz RDENTZMIHIEDQZ-NSHDSACASA-N 1 0 207.342 3.291 10 30 BGEERO C[C@H](NC(=[NH2+])Nc1ccccc1)c1ccsc1 ZINC000061368266 176550372 /nfs/dbraw/zinc/55/03/72/176550372.db2.gz NFCQVPYYSHOBRD-JTQLQIEISA-N 1 0 245.351 3.236 10 30 BGEERO N#Cc1ncccc1C[NH2+]C1CCCCCCC1 ZINC000061656961 181170910 /nfs/dbraw/zinc/17/09/10/181170910.db2.gz MUPCAICMFROLSU-UHFFFAOYSA-N 1 0 243.354 3.156 10 30 BGEERO N#Cc1ncccc1C[NH2+]CCC1CCCCC1 ZINC000061657651 181170202 /nfs/dbraw/zinc/17/02/02/181170202.db2.gz AJRAZSBJYLMSDX-UHFFFAOYSA-N 1 0 243.354 3.013 10 30 BGEERO CCC(CC)C[N@H+](CC)Cc1cccnc1C#N ZINC000061664419 168351257 /nfs/dbraw/zinc/35/12/57/168351257.db2.gz FVCNSJSLLLNPJE-UHFFFAOYSA-N 1 0 245.370 3.211 10 30 BGEERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061890981 322859293 /nfs/dbraw/zinc/85/92/93/322859293.db2.gz HATMNHRXGVSZIE-RFQIPJPRSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000061890986 384754854 /nfs/dbraw/zinc/75/48/54/384754854.db2.gz VZDQQTIHYRRZEB-YIYPIFLZSA-N 1 0 234.387 3.483 10 30 BGEERO CCCC(CCC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061890990 350532762 /nfs/dbraw/zinc/53/27/62/350532762.db2.gz ZCUCBWHUDPQABJ-DGCLKSJQSA-N 1 0 208.349 3.237 10 30 BGEERO CCCC(CCC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061890991 384756647 /nfs/dbraw/zinc/75/66/47/384756647.db2.gz ZCUCBWHUDPQABJ-YPMHNXCESA-N 1 0 208.349 3.237 10 30 BGEERO CCCC(CCC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061890992 384754803 /nfs/dbraw/zinc/75/48/03/384754803.db2.gz ZCUCBWHUDPQABJ-WCQYABFASA-N 1 0 208.349 3.237 10 30 BGEERO CCCC(CCC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000061890993 322859298 /nfs/dbraw/zinc/85/92/98/322859298.db2.gz ZCUCBWHUDPQABJ-AAEUAGOBSA-N 1 0 208.349 3.237 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061891007 353543291 /nfs/dbraw/zinc/54/32/91/353543291.db2.gz LLBAPQPICBOBMS-UKRRQHHQSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061891008 353543073 /nfs/dbraw/zinc/54/30/73/353543073.db2.gz LLBAPQPICBOBMS-HIFRSBDPSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061891009 353543418 /nfs/dbraw/zinc/54/34/18/353543418.db2.gz LLBAPQPICBOBMS-DZGCQCFKSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061891010 353543609 /nfs/dbraw/zinc/54/36/09/353543609.db2.gz LLBAPQPICBOBMS-ZFWWWQNUSA-N 1 0 228.339 3.085 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891075 398107800 /nfs/dbraw/zinc/10/78/00/398107800.db2.gz ZVXJOTVUORTNOG-HUUCEWRRSA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891076 398108117 /nfs/dbraw/zinc/10/81/17/398108117.db2.gz ZVXJOTVUORTNOG-CABCVRRESA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891077 398107543 /nfs/dbraw/zinc/10/75/43/398107543.db2.gz ZVXJOTVUORTNOG-LSDHHAIUSA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891078 398107988 /nfs/dbraw/zinc/10/79/88/398107988.db2.gz ZVXJOTVUORTNOG-GJZGRUSLSA-N 1 0 228.339 3.031 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061891079 322859217 /nfs/dbraw/zinc/85/92/17/322859217.db2.gz VODJYVHOXKSUJU-GDBMZVCRSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061891080 384754093 /nfs/dbraw/zinc/75/40/93/384754093.db2.gz VODJYVHOXKSUJU-ZBFHGGJFSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061891081 322859249 /nfs/dbraw/zinc/85/92/49/322859249.db2.gz VODJYVHOXKSUJU-GOEBONIOSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061891082 518186674 /nfs/dbraw/zinc/18/66/74/518186674.db2.gz VODJYVHOXKSUJU-HOCLYGCPSA-N 1 0 242.366 3.394 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891497 386552246 /nfs/dbraw/zinc/55/22/46/386552246.db2.gz FXMISEGVQOVQAV-YNEHKIRRSA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891499 386552588 /nfs/dbraw/zinc/55/25/88/386552588.db2.gz FXMISEGVQOVQAV-XQQFMLRXSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000061891627 384755367 /nfs/dbraw/zinc/75/53/67/384755367.db2.gz PTSMNVPZUUAQTP-BPLDGKMQSA-N 1 0 228.339 3.072 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000061891629 322859174 /nfs/dbraw/zinc/85/91/74/322859174.db2.gz PTSMNVPZUUAQTP-YUELXQCFSA-N 1 0 228.339 3.072 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000061891930 134804230 /nfs/dbraw/zinc/80/42/30/134804230.db2.gz YPDKUNSPKZQJHN-PRLABOORSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000061891931 134804527 /nfs/dbraw/zinc/80/45/27/134804527.db2.gz YPDKUNSPKZQJHN-LMPOIIKSSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000061891932 398107906 /nfs/dbraw/zinc/10/79/06/398107906.db2.gz YPDKUNSPKZQJHN-SLTXQBBLSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000061891933 398108128 /nfs/dbraw/zinc/10/81/28/398108128.db2.gz YPDKUNSPKZQJHN-LBDPXKHJSA-N 1 0 240.350 3.214 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892291 384753563 /nfs/dbraw/zinc/75/35/63/384753563.db2.gz XSZOIVVHDLKEPL-NWANDNLSSA-N 1 0 228.339 3.338 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061892293 384754675 /nfs/dbraw/zinc/75/46/75/384754675.db2.gz XSZOIVVHDLKEPL-CFVMTHIKSA-N 1 0 228.339 3.338 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1C ZINC000061892318 384753755 /nfs/dbraw/zinc/75/37/55/384753755.db2.gz OCOSFWNHFFRHBI-GDBMZVCRSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1C ZINC000061892319 322859427 /nfs/dbraw/zinc/85/94/27/322859427.db2.gz OCOSFWNHFFRHBI-ZBFHGGJFSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1C ZINC000061892320 322859388 /nfs/dbraw/zinc/85/93/88/322859388.db2.gz OCOSFWNHFFRHBI-GOEBONIOSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)cc1C ZINC000061892321 384754824 /nfs/dbraw/zinc/75/48/24/384754824.db2.gz OCOSFWNHFFRHBI-HOCLYGCPSA-N 1 0 242.366 3.394 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1C ZINC000061892354 398108213 /nfs/dbraw/zinc/10/82/13/398108213.db2.gz BDBSWUPOGAMPCG-HUUCEWRRSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1C ZINC000061892355 398108201 /nfs/dbraw/zinc/10/82/01/398108201.db2.gz BDBSWUPOGAMPCG-CABCVRRESA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1C ZINC000061892356 398107999 /nfs/dbraw/zinc/10/79/99/398107999.db2.gz BDBSWUPOGAMPCG-LSDHHAIUSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1C ZINC000061892357 134804028 /nfs/dbraw/zinc/80/40/28/134804028.db2.gz BDBSWUPOGAMPCG-GJZGRUSLSA-N 1 0 228.339 3.085 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 ZINC000061892582 388646918 /nfs/dbraw/zinc/64/69/18/388646918.db2.gz WHBSICKDLDXJEA-ZWNOBZJWSA-N 1 0 234.368 3.092 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000061892583 388646855 /nfs/dbraw/zinc/64/68/55/388646855.db2.gz WHBSICKDLDXJEA-MFKMUULPSA-N 1 0 234.368 3.092 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000061892584 388646967 /nfs/dbraw/zinc/64/69/67/388646967.db2.gz WHBSICKDLDXJEA-GXFFZTMASA-N 1 0 234.368 3.092 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000061892585 388646989 /nfs/dbraw/zinc/64/69/89/388646989.db2.gz WHBSICKDLDXJEA-GWCFXTLKSA-N 1 0 234.368 3.092 10 30 BGEERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000061892606 384755620 /nfs/dbraw/zinc/75/56/20/384755620.db2.gz LPYDZEIAZRSFTE-HXSCFSKGSA-N 1 0 234.387 3.483 10 30 BGEERO CC(C)C1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000061892607 384755094 /nfs/dbraw/zinc/75/50/94/384755094.db2.gz LPYDZEIAZRSFTE-JYVUQVBGSA-N 1 0 234.387 3.483 10 30 BGEERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000061892608 384756378 /nfs/dbraw/zinc/75/63/78/384756378.db2.gz LPYDZEIAZRSFTE-OOJKYFRXSA-N 1 0 234.387 3.483 10 30 BGEERO CC(C)C1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000061892609 384756206 /nfs/dbraw/zinc/75/62/06/384756206.db2.gz LPYDZEIAZRSFTE-SHWKFHJASA-N 1 0 234.387 3.483 10 30 BGEERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892666 398107709 /nfs/dbraw/zinc/10/77/09/398107709.db2.gz ROBCPCMNTGOLNP-UKRRQHHQSA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892667 398109521 /nfs/dbraw/zinc/10/95/21/398109521.db2.gz ROBCPCMNTGOLNP-HIFRSBDPSA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061892668 398109483 /nfs/dbraw/zinc/10/94/83/398109483.db2.gz ROBCPCMNTGOLNP-DZGCQCFKSA-N 1 0 228.339 3.031 10 30 BGEERO CCc1ccccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061892669 398108746 /nfs/dbraw/zinc/10/87/46/398108746.db2.gz ROBCPCMNTGOLNP-ZFWWWQNUSA-N 1 0 228.339 3.031 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000061892734 181069530 /nfs/dbraw/zinc/06/95/30/181069530.db2.gz WEKPYMMFCZMNSM-BZUAXINKSA-N 1 0 240.350 3.420 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000061892736 181068451 /nfs/dbraw/zinc/06/84/51/181068451.db2.gz WEKPYMMFCZMNSM-OWCLPIDISA-N 1 0 240.350 3.420 10 30 BGEERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1C ZINC000061892805 179098056 /nfs/dbraw/zinc/09/80/56/179098056.db2.gz KBJGZEHPUAEBFZ-UKRRQHHQSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1C ZINC000061892806 179101272 /nfs/dbraw/zinc/10/12/72/179101272.db2.gz KBJGZEHPUAEBFZ-HIFRSBDPSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1C ZINC000061892808 179101813 /nfs/dbraw/zinc/10/18/13/179101813.db2.gz KBJGZEHPUAEBFZ-ZFWWWQNUSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892829 353543370 /nfs/dbraw/zinc/54/33/70/353543370.db2.gz YIMTTYWJXNFMRY-UKRRQHHQSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061892830 353543216 /nfs/dbraw/zinc/54/32/16/353543216.db2.gz YIMTTYWJXNFMRY-HIFRSBDPSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061892831 353543655 /nfs/dbraw/zinc/54/36/55/353543655.db2.gz YIMTTYWJXNFMRY-DZGCQCFKSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1ccc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000061892832 353543422 /nfs/dbraw/zinc/54/34/22/353543422.db2.gz YIMTTYWJXNFMRY-ZFWWWQNUSA-N 1 0 228.339 3.085 10 30 BGEERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000061892838 322859500 /nfs/dbraw/zinc/85/95/00/322859500.db2.gz FEBZCWINJWEZFR-FVQBIDKESA-N 1 0 242.366 3.462 10 30 BGEERO C[C@H](CC[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000061892840 322859604 /nfs/dbraw/zinc/85/96/04/322859604.db2.gz FEBZCWINJWEZFR-BMFZPTHFSA-N 1 0 242.366 3.462 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000061892841 188086686 /nfs/dbraw/zinc/08/66/86/188086686.db2.gz AAJKBBXLPPDAPP-HUUCEWRRSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000061892842 398109406 /nfs/dbraw/zinc/10/94/06/398109406.db2.gz AAJKBBXLPPDAPP-CABCVRRESA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000061892843 398109448 /nfs/dbraw/zinc/10/94/48/398109448.db2.gz AAJKBBXLPPDAPP-LSDHHAIUSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000061892844 398109403 /nfs/dbraw/zinc/10/94/03/398109403.db2.gz AAJKBBXLPPDAPP-GJZGRUSLSA-N 1 0 228.339 3.085 10 30 BGEERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000062052584 398110827 /nfs/dbraw/zinc/11/08/27/398110827.db2.gz MAGQVZJLHJPOLU-UXIGCNINSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000062052586 398110029 /nfs/dbraw/zinc/11/00/29/398110029.db2.gz MAGQVZJLHJPOLU-KYOSRNDESA-N 1 0 246.329 3.039 10 30 BGEERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C2 ZINC000062351205 168010913 /nfs/dbraw/zinc/01/09/13/168010913.db2.gz YCWDHIISYKZZHK-JTTNIQEDSA-N 1 0 246.398 3.483 10 30 BGEERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C2 ZINC000062351208 168003621 /nfs/dbraw/zinc/00/36/21/168003621.db2.gz YCWDHIISYKZZHK-PAURTPPISA-N 1 0 246.398 3.483 10 30 BGEERO CCCN[C@H](C#N)CCSc1ccc(C)cc1 ZINC000062453187 169284353 /nfs/dbraw/zinc/28/43/53/169284353.db2.gz VKHFXMFVPYEKKW-ZDUSSCGKSA-N 1 0 248.395 3.369 10 30 BGEERO N#CCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000062619761 188223849 /nfs/dbraw/zinc/22/38/49/188223849.db2.gz VFLOTQJCJBZKSG-MQVJKMGUSA-N 1 0 240.350 3.343 10 30 BGEERO CC(C)C[NH2+]Cc1ccc(OCCCC#N)cc1 ZINC000062728949 167009554 /nfs/dbraw/zinc/00/95/54/167009554.db2.gz JJFAREVHTROPLQ-UHFFFAOYSA-N 1 0 246.354 3.115 10 30 BGEERO CC[C@@H](C#N)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729344 170660256 /nfs/dbraw/zinc/66/02/56/170660256.db2.gz XUTATCIGODVJDI-ZDUSSCGKSA-N 1 0 246.354 3.256 10 30 BGEERO CC[C@H](C#N)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729345 171219318 /nfs/dbraw/zinc/21/93/18/171219318.db2.gz XUTATCIGODVJDI-CYBMUJFWSA-N 1 0 246.354 3.256 10 30 BGEERO C=C[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062746902 187362419 /nfs/dbraw/zinc/36/24/19/187362419.db2.gz RRIANOCWPSPKSK-MNOVXSKESA-N 1 0 237.318 3.450 10 30 BGEERO C=C[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062746903 187872336 /nfs/dbraw/zinc/87/23/36/187872336.db2.gz RRIANOCWPSPKSK-GHMZBOCLSA-N 1 0 237.318 3.450 10 30 BGEERO CC#CCOc1cc(F)ccc1[C@@H](C)[NH2+]CCC ZINC000062747297 188223543 /nfs/dbraw/zinc/22/35/43/188223543.db2.gz ISSPZWIEAMVOPM-GFCCVEGCSA-N 1 0 249.329 3.288 10 30 BGEERO CC#CC[C@@H]([NH3+])C1(c2ccccc2)CCCC1 ZINC000062782721 187535139 /nfs/dbraw/zinc/53/51/39/187535139.db2.gz KUKPKGRURIRAPV-OAHLLOKOSA-N 1 0 227.351 3.239 10 30 BGEERO C=CC[C@H]([NH2+]C)c1cc2ccccc2o1 ZINC000062797747 188361786 /nfs/dbraw/zinc/36/17/86/188361786.db2.gz JEKZAZQZLJIGIS-NSHDSACASA-N 1 0 201.269 3.269 10 30 BGEERO C=CC[C@@H]([NH2+]C)c1cc2ccccc2o1 ZINC000062797748 188361554 /nfs/dbraw/zinc/36/15/54/188361554.db2.gz JEKZAZQZLJIGIS-LLVKDONJSA-N 1 0 201.269 3.269 10 30 BGEERO C#CC[C@@H]([NH2+]CCC)c1cc2ccccc2o1 ZINC000062797974 166204626 /nfs/dbraw/zinc/20/46/26/166204626.db2.gz MWKKYKJOZINZQF-CYBMUJFWSA-N 1 0 227.307 3.497 10 30 BGEERO C=C[C@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799606 187362240 /nfs/dbraw/zinc/36/22/40/187362240.db2.gz QLSQJNZHXJQFFI-SMDDNHRTSA-N 1 0 231.339 3.237 10 30 BGEERO C=C[C@@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799608 188223801 /nfs/dbraw/zinc/22/38/01/188223801.db2.gz QLSQJNZHXJQFFI-BXUZGUMPSA-N 1 0 231.339 3.237 10 30 BGEERO C=C[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]CC ZINC000062799609 188582274 /nfs/dbraw/zinc/58/22/74/188582274.db2.gz QLSQJNZHXJQFFI-RISCZKNCSA-N 1 0 231.339 3.237 10 30 BGEERO C#CCCOc1cccc2c1CC[C@H]2[NH2+]CCC ZINC000062799974 166150715 /nfs/dbraw/zinc/15/07/15/166150715.db2.gz BVZWBQOAAFSOPZ-OAHLLOKOSA-N 1 0 243.350 3.076 10 30 BGEERO C#CCCOc1cccc2c1CC[C@@H]2[NH2+]CCC ZINC000062799975 166150749 /nfs/dbraw/zinc/15/07/49/166150749.db2.gz BVZWBQOAAFSOPZ-HNNXBMFYSA-N 1 0 243.350 3.076 10 30 BGEERO C=CC[C@H]([NH2+]CC)c1ccc2ncccc2c1 ZINC000062802392 187361968 /nfs/dbraw/zinc/36/19/68/187361968.db2.gz VTNDILXFSQCSSZ-AWEZNQCLSA-N 1 0 226.323 3.462 10 30 BGEERO C=C[C@H](C)Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCC ZINC000062805100 188223573 /nfs/dbraw/zinc/22/35/73/188223573.db2.gz KNZXPADLEIOMGS-FZMZJTMJSA-N 1 0 247.338 3.073 10 30 BGEERO C=C(C)COc1ccc2c(c1)OC[C@@H]2[NH2+]CCC ZINC000062805132 188223718 /nfs/dbraw/zinc/22/37/18/188223718.db2.gz OPUKJCPSMOZFAI-AWEZNQCLSA-N 1 0 247.338 3.075 10 30 BGEERO [NH3+]CC#Cc1ccc(CSC2CCCC2)cc1 ZINC000062830684 181346013 /nfs/dbraw/zinc/34/60/13/181346013.db2.gz HIGLYHWYYKKMJA-UHFFFAOYSA-N 1 0 245.391 3.173 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953868 181068915 /nfs/dbraw/zinc/06/89/15/181068915.db2.gz BFBAFSJLPYSFNS-ZIAGYGMSSA-N 1 0 232.371 3.335 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953870 181060110 /nfs/dbraw/zinc/06/01/10/181060110.db2.gz BFBAFSJLPYSFNS-UONOGXRCSA-N 1 0 232.371 3.335 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062953871 181059803 /nfs/dbraw/zinc/05/98/03/181059803.db2.gz BFBAFSJLPYSFNS-KBPBESRZSA-N 1 0 232.371 3.335 10 30 BGEERO CC(=[NH2+])Nc1cc(Br)ccc1Cl ZINC000062986884 349863742 /nfs/dbraw/zinc/86/37/42/349863742.db2.gz ACLHFYDYPJSMDF-UHFFFAOYSA-N 1 0 247.523 3.111 10 30 BGEERO CC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000062986923 349864033 /nfs/dbraw/zinc/86/40/33/349864033.db2.gz BEMKMULIYWIURX-UHFFFAOYSA-N 1 0 203.072 3.002 10 30 BGEERO CC(=[NH2+])Nc1c(Cl)ccc(C)c1Cl ZINC000062986936 349863907 /nfs/dbraw/zinc/86/39/07/349863907.db2.gz JCGJRJBTKNQEJO-UHFFFAOYSA-N 1 0 217.099 3.310 10 30 BGEERO CC(=[NH2+])Nc1ccc(Br)cc1Cl ZINC000062987126 349866202 /nfs/dbraw/zinc/86/62/02/349866202.db2.gz GHBFSNWTNHAFSR-UHFFFAOYSA-N 1 0 247.523 3.111 10 30 BGEERO [NH2+]=C(Nc1cnc2ccccc2c1)c1ccccc1 ZINC000062987812 181179557 /nfs/dbraw/zinc/17/95/57/181179557.db2.gz BRXRHXJAQGHCTI-UHFFFAOYSA-N 1 0 247.301 3.272 10 30 BGEERO [NH2+]=C(Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000062988317 343747073 /nfs/dbraw/zinc/74/70/73/343747073.db2.gz RIPQBHKBWHCTFB-UHFFFAOYSA-N 1 0 229.110 3.392 10 30 BGEERO [NH2+]=C(Nc1cccc2cccnc21)C1CCCC1 ZINC000062988450 181179808 /nfs/dbraw/zinc/17/98/08/181179808.db2.gz GABORBUFGOTSMS-UHFFFAOYSA-N 1 0 239.322 3.414 10 30 BGEERO CCC(=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000062988548 349864016 /nfs/dbraw/zinc/86/40/16/349864016.db2.gz CKORKYVEZDOIQI-UHFFFAOYSA-N 1 0 217.099 3.392 10 30 BGEERO [NH2+]=C(Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000062988551 349864810 /nfs/dbraw/zinc/86/48/10/349864810.db2.gz FPEBEQBHFUWOBM-UHFFFAOYSA-N 1 0 229.110 3.392 10 30 BGEERO [NH2+]=C(Nc1ccc(F)c(F)c1F)C1CCCC1 ZINC000062988701 181178971 /nfs/dbraw/zinc/17/89/71/181178971.db2.gz CFOHJYGRJVVZLQ-UHFFFAOYSA-N 1 0 242.244 3.283 10 30 BGEERO [NH2+]=C(Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000062988802 349865391 /nfs/dbraw/zinc/86/53/91/349865391.db2.gz YGXISNKRMOCLSM-UHFFFAOYSA-N 1 0 229.110 3.392 10 30 BGEERO CCC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000062989374 350099689 /nfs/dbraw/zinc/09/96/89/350099689.db2.gz HLNRFKQSJJFDRL-UHFFFAOYSA-N 1 0 217.099 3.392 10 30 BGEERO [NH2+]=C(Nc1cccc(Cl)c1Cl)C1CC1 ZINC000062989377 350100037 /nfs/dbraw/zinc/10/00/37/350100037.db2.gz GWGPJQPPUXCTNL-UHFFFAOYSA-N 1 0 229.110 3.392 10 30 BGEERO CC(C)C(=[NH2+])Nc1cccc(Cl)c1F ZINC000062989454 350100133 /nfs/dbraw/zinc/10/01/33/350100133.db2.gz WBNJZJGBEFWVOT-UHFFFAOYSA-N 1 0 214.671 3.124 10 30 BGEERO CCCC(=[NH2+])Nc1cc(Cl)ccc1F ZINC000062990329 350100235 /nfs/dbraw/zinc/10/02/35/350100235.db2.gz UPFJUZRJXOBURL-UHFFFAOYSA-N 1 0 214.671 3.268 10 30 BGEERO [NH2+]=C(Nc1cccc2cnccc21)c1ccccc1 ZINC000062990933 181182608 /nfs/dbraw/zinc/18/26/08/181182608.db2.gz KKULTIYZNKJBRO-UHFFFAOYSA-N 1 0 247.301 3.272 10 30 BGEERO N#Cc1ccc(CNC(=[NH2+])C2CCCCC2)cc1 ZINC000062991078 181106605 /nfs/dbraw/zinc/10/66/05/181106605.db2.gz STSUYUYEBHMIIQ-UHFFFAOYSA-N 1 0 241.338 3.205 10 30 BGEERO N#Cc1cccc(CNC(=[NH2+])C2CCCCC2)c1 ZINC000062991102 188303947 /nfs/dbraw/zinc/30/39/47/188303947.db2.gz LSHGUSGXASYGBZ-UHFFFAOYSA-N 1 0 241.338 3.205 10 30 BGEERO [NH2+]=C(Nc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000062994147 181182266 /nfs/dbraw/zinc/18/22/66/181182266.db2.gz XWBFHGKGRQGMLE-UHFFFAOYSA-N 1 0 246.207 3.243 10 30 BGEERO CCCC(=[NH2+])Nc1ccc(N2CCCCC2)cc1 ZINC000062997571 535224596 /nfs/dbraw/zinc/22/45/96/535224596.db2.gz GIGOOCMXFKDMDX-UHFFFAOYSA-N 1 0 245.370 3.466 10 30 BGEERO CC#CC[C@H]([NH2+]CC)c1ccc2ccccc2n1 ZINC000063076293 188583500 /nfs/dbraw/zinc/58/35/00/188583500.db2.gz FRPRFVWFKLCDTF-HNNXBMFYSA-N 1 0 238.334 3.299 10 30 BGEERO CC1CCC(C[NH2+]CCCCC#N)CC1 ZINC000063145179 350573976 /nfs/dbraw/zinc/57/39/76/350573976.db2.gz DNRUOIXKWQINOB-UHFFFAOYSA-N 1 0 208.349 3.096 10 30 BGEERO CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000063145372 357534324 /nfs/dbraw/zinc/53/43/24/357534324.db2.gz KCDQXRBVUABVAE-NWINJMCUSA-N 1 0 220.360 3.095 10 30 BGEERO CC1CCC(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000063145373 357534659 /nfs/dbraw/zinc/53/46/59/357534659.db2.gz KCDQXRBVUABVAE-PQAZSJQKSA-N 1 0 220.360 3.095 10 30 BGEERO CC1CCC(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000063145375 357534010 /nfs/dbraw/zinc/53/40/10/357534010.db2.gz KCDQXRBVUABVAE-CLRIEMFWSA-N 1 0 220.360 3.095 10 30 BGEERO CC1CCC(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000063145377 357534435 /nfs/dbraw/zinc/53/44/35/357534435.db2.gz KCDQXRBVUABVAE-HOAMVYINSA-N 1 0 220.360 3.095 10 30 BGEERO C=C(Br)C[NH2+]CC1CCC(C)CC1 ZINC000063145627 641139064 /nfs/dbraw/zinc/13/90/64/641139064.db2.gz QZDCMLDZBMILRO-UHFFFAOYSA-N 1 0 246.192 3.311 10 30 BGEERO C=C(Cl)C[NH2+]CC1CCC(C)CC1 ZINC000063145628 641137793 /nfs/dbraw/zinc/13/77/93/641137793.db2.gz ZIGGHXRKHADJJJ-UHFFFAOYSA-N 1 0 201.741 3.155 10 30 BGEERO C#CC[C@@H]([NH2+]CCC)[C@@H]1CCCc2ccccc21 ZINC000063158274 166204730 /nfs/dbraw/zinc/20/47/30/166204730.db2.gz MQJWIIOHESTBHQ-IAGOWNOFSA-N 1 0 241.378 3.498 10 30 BGEERO C#CC[C@@H]([NH2+]CCC)[C@H]1CCCc2ccccc21 ZINC000063158276 166204892 /nfs/dbraw/zinc/20/48/92/166204892.db2.gz MQJWIIOHESTBHQ-DLBZAZTESA-N 1 0 241.378 3.498 10 30 BGEERO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000067230582 370645835 /nfs/dbraw/zinc/64/58/35/370645835.db2.gz ASJHTSMDLMAEBM-OAHLLOKOSA-N 1 0 245.366 3.415 10 30 BGEERO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000067230583 370645605 /nfs/dbraw/zinc/64/56/05/370645605.db2.gz ASJHTSMDLMAEBM-HNNXBMFYSA-N 1 0 245.366 3.415 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000068944646 370863131 /nfs/dbraw/zinc/86/31/31/370863131.db2.gz SPMYSUALTZYGPO-BFHYXJOUSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000068944650 344516377 /nfs/dbraw/zinc/51/63/77/344516377.db2.gz SPMYSUALTZYGPO-MJBXVCDLSA-N 1 0 222.376 3.483 10 30 BGEERO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000068987727 324917429 /nfs/dbraw/zinc/91/74/29/324917429.db2.gz PLCNMLUQWFZXEF-FRRDWIJNSA-N 1 0 208.349 3.237 10 30 BGEERO CCCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000068987732 388817974 /nfs/dbraw/zinc/81/79/74/388817974.db2.gz PLCNMLUQWFZXEF-AGIUHOORSA-N 1 0 208.349 3.237 10 30 BGEERO C#CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000069625526 642884104 /nfs/dbraw/zinc/88/41/04/642884104.db2.gz RAOGDETZALKCIZ-QMMMGPOBSA-N 1 0 213.733 3.075 10 30 BGEERO C#CCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000069625529 642884454 /nfs/dbraw/zinc/88/44/54/642884454.db2.gz RAOGDETZALKCIZ-MRVPVSSYSA-N 1 0 213.733 3.075 10 30 BGEERO CC(C)([NH3+])C#Cc1cccc(Cl)c1Cl ZINC000069678578 373581081 /nfs/dbraw/zinc/58/10/81/373581081.db2.gz CZTMJWCIVDOIDP-UHFFFAOYSA-N 1 0 228.122 3.082 10 30 BGEERO CC(C)([NH3+])C#Cc1cc(Cl)ccc1Cl ZINC000069678674 342807671 /nfs/dbraw/zinc/80/76/71/342807671.db2.gz STZQJIBZPJGDPB-UHFFFAOYSA-N 1 0 228.122 3.082 10 30 BGEERO CC(C)([NH3+])C#Cc1ccc(Cl)c(Cl)c1 ZINC000069678733 373584510 /nfs/dbraw/zinc/58/45/10/373584510.db2.gz XHJQWABFWHVOFJ-UHFFFAOYSA-N 1 0 228.122 3.082 10 30 BGEERO C#CCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000069767469 642901670 /nfs/dbraw/zinc/90/16/70/642901670.db2.gz OUBOBJVFSOZXRI-UHFFFAOYSA-N 1 0 207.361 3.204 10 30 BGEERO C#CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000069767726 187278682 /nfs/dbraw/zinc/27/86/82/187278682.db2.gz FRNGFHINBZIELW-VIFPVBQESA-N 1 0 225.694 3.153 10 30 BGEERO C#CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000069767727 187258372 /nfs/dbraw/zinc/25/83/72/187258372.db2.gz FRNGFHINBZIELW-SECBINFHSA-N 1 0 225.694 3.153 10 30 BGEERO C#CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000069767981 643449115 /nfs/dbraw/zinc/44/91/15/643449115.db2.gz YGJIPTIWELSWDF-UHFFFAOYSA-N 1 0 228.122 3.106 10 30 BGEERO C#CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000069768467 631276157 /nfs/dbraw/zinc/27/61/57/631276157.db2.gz OHNYZAYQJOPPQJ-UHFFFAOYSA-N 1 0 215.340 3.097 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000069804596 370988293 /nfs/dbraw/zinc/98/82/93/370988293.db2.gz BPZDOZFEAHDSKE-IACUBPJLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCCC1 ZINC000069804607 370988382 /nfs/dbraw/zinc/98/83/82/370988382.db2.gz BPZDOZFEAHDSKE-YUTCNCBUSA-N 1 0 220.360 3.237 10 30 BGEERO CCCCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000070019776 642957379 /nfs/dbraw/zinc/95/73/79/642957379.db2.gz VTPREVRJVKAQSX-CHWSQXEVSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000070019779 642956614 /nfs/dbraw/zinc/95/66/14/642956614.db2.gz VTPREVRJVKAQSX-OLZOCXBDSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000070019783 642955838 /nfs/dbraw/zinc/95/58/38/642955838.db2.gz VTPREVRJVKAQSX-QWHCGFSZSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000070019788 642957851 /nfs/dbraw/zinc/95/78/51/642957851.db2.gz VTPREVRJVKAQSX-STQMWFEESA-N 1 0 208.349 3.239 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@H](C)C1 ZINC000070112863 371008161 /nfs/dbraw/zinc/00/81/61/371008161.db2.gz XICMLZMVUZISIW-ARILJUKYSA-N 1 0 234.387 3.483 10 30 BGEERO C#CCC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000070160781 187358868 /nfs/dbraw/zinc/35/88/68/187358868.db2.gz GGJMBAJOCRRLSH-AXQFOSQISA-N 1 0 231.383 3.204 10 30 BGEERO C#CCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000070160782 187358264 /nfs/dbraw/zinc/35/82/64/187358264.db2.gz GGJMBAJOCRRLSH-DYCFOQDWSA-N 1 0 231.383 3.204 10 30 BGEERO C#CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000070190936 343309396 /nfs/dbraw/zinc/30/93/96/343309396.db2.gz DBRPCODFBYDLTJ-JTQLQIEISA-N 1 0 207.704 3.014 10 30 BGEERO C#CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000070190956 642990346 /nfs/dbraw/zinc/99/03/46/642990346.db2.gz QHBQYQQVUAKTNV-CYBMUJFWSA-N 1 0 215.340 3.484 10 30 BGEERO C#CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000070190958 642990555 /nfs/dbraw/zinc/99/05/55/642990555.db2.gz QHBQYQQVUAKTNV-ZDUSSCGKSA-N 1 0 215.340 3.484 10 30 BGEERO C#CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000070191015 642989804 /nfs/dbraw/zinc/98/98/04/642989804.db2.gz KPYFUWFHVJLLHM-UHFFFAOYSA-N 1 0 228.122 3.106 10 30 BGEERO C#CCC[NH2+]Cc1c2ccccc2oc1CC ZINC000070245424 643005532 /nfs/dbraw/zinc/00/55/32/643005532.db2.gz JJNQHIPJKIPAIJ-UHFFFAOYSA-N 1 0 227.307 3.108 10 30 BGEERO C#CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000070246043 643004438 /nfs/dbraw/zinc/00/44/38/643004438.db2.gz QWXPUGXKEVGHKE-UHFFFAOYSA-N 1 0 243.281 3.199 10 30 BGEERO C#CCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000070246048 643005920 /nfs/dbraw/zinc/00/59/20/643005920.db2.gz WHFQATSHOKONSN-CQSZACIVSA-N 1 0 245.366 3.395 10 30 BGEERO C#CCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000070246049 643004423 /nfs/dbraw/zinc/00/44/23/643004423.db2.gz WHFQATSHOKONSN-AWEZNQCLSA-N 1 0 245.366 3.395 10 30 BGEERO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000070538965 322951602 /nfs/dbraw/zinc/95/16/02/322951602.db2.gz DLKNQOLSWSZYDG-KBUPBQIOSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000070562949 323200523 /nfs/dbraw/zinc/20/05/23/323200523.db2.gz VAPPXZGOJURWDK-YIYPIFLZSA-N 1 0 220.360 3.237 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cccc(OCC)c1 ZINC000070594029 361579422 /nfs/dbraw/zinc/57/94/22/361579422.db2.gz JWAVKEYZODZENZ-CYBMUJFWSA-N 1 0 205.301 3.051 10 30 BGEERO C=CCC[C@H]([NH3+])c1cccc(OCC)c1 ZINC000070594030 361579633 /nfs/dbraw/zinc/57/96/33/361579633.db2.gz JWAVKEYZODZENZ-ZDUSSCGKSA-N 1 0 205.301 3.051 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000070594037 361579652 /nfs/dbraw/zinc/57/96/52/361579652.db2.gz AWMQGRJXHJDGKR-NSHDSACASA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000070594038 345790235 /nfs/dbraw/zinc/79/02/35/345790235.db2.gz AWMQGRJXHJDGKR-LLVKDONJSA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@H]([NH3+])c1cccc(Br)c1 ZINC000070594159 361578804 /nfs/dbraw/zinc/57/88/04/361578804.db2.gz CUIAXTURGQALCM-NSHDSACASA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000070594160 361578913 /nfs/dbraw/zinc/57/89/13/361578913.db2.gz CUIAXTURGQALCM-LLVKDONJSA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000070594698 361578458 /nfs/dbraw/zinc/57/84/58/361578458.db2.gz BYGSJWNWVRWMKJ-JTQLQIEISA-N 1 0 215.218 3.070 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000070594699 361578964 /nfs/dbraw/zinc/57/89/64/361578964.db2.gz BYGSJWNWVRWMKJ-SNVBAGLBSA-N 1 0 215.218 3.070 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccccc1Br ZINC000070594714 361578908 /nfs/dbraw/zinc/57/89/08/361578908.db2.gz QQHDQPXLAQEZCH-NSHDSACASA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccccc1Br ZINC000070594715 361578322 /nfs/dbraw/zinc/57/83/22/361578322.db2.gz QQHDQPXLAQEZCH-LLVKDONJSA-N 1 0 240.144 3.415 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000070595024 361578776 /nfs/dbraw/zinc/57/87/76/361578776.db2.gz RMUXPZRIYPDARQ-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000070595025 361578658 /nfs/dbraw/zinc/57/86/58/361578658.db2.gz RMUXPZRIYPDARQ-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000070595084 361579445 /nfs/dbraw/zinc/57/94/45/361579445.db2.gz PAUUJVKKLZRGOK-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000070595085 361579670 /nfs/dbraw/zinc/57/96/70/361579670.db2.gz PAUUJVKKLZRGOK-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000070595094 361579628 /nfs/dbraw/zinc/57/96/28/361579628.db2.gz NCNCMNMPWJAZOV-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000070595095 361579685 /nfs/dbraw/zinc/57/96/85/361579685.db2.gz NCNCMNMPWJAZOV-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000070595110 361581878 /nfs/dbraw/zinc/58/18/78/361581878.db2.gz DDNBWMSMYWKSFM-LBPRGKRZSA-N 1 0 212.296 3.201 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000070595111 361581571 /nfs/dbraw/zinc/58/15/71/361581571.db2.gz DDNBWMSMYWKSFM-GFCCVEGCSA-N 1 0 212.296 3.201 10 30 BGEERO C=CC[C@H]([NH3+])c1ccc(Br)s1 ZINC000070597672 361583203 /nfs/dbraw/zinc/58/32/03/361583203.db2.gz WQZUGVQZSHNBLJ-LURJTMIESA-N 1 0 232.146 3.087 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000070597673 361583397 /nfs/dbraw/zinc/58/33/97/361583397.db2.gz WQZUGVQZSHNBLJ-ZCFIWIBFSA-N 1 0 232.146 3.087 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(Br)s1 ZINC000070597702 361583422 /nfs/dbraw/zinc/58/34/22/361583422.db2.gz DETNVWSEXHGCDE-ZETCQYMHSA-N 1 0 246.173 3.477 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000070597703 361582399 /nfs/dbraw/zinc/58/23/99/361582399.db2.gz DETNVWSEXHGCDE-SSDOTTSWSA-N 1 0 246.173 3.477 10 30 BGEERO C=CC[C@H]([NH3+])c1cc(Br)cs1 ZINC000070598990 361583040 /nfs/dbraw/zinc/58/30/40/361583040.db2.gz FBMZDQDKZABJSY-ZETCQYMHSA-N 1 0 232.146 3.087 10 30 BGEERO C=CC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070598991 361582848 /nfs/dbraw/zinc/58/28/48/361582848.db2.gz FBMZDQDKZABJSY-SSDOTTSWSA-N 1 0 232.146 3.087 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(Br)cs1 ZINC000070599042 361583153 /nfs/dbraw/zinc/58/31/53/361583153.db2.gz HSYIDQZCMVZHBN-QMMMGPOBSA-N 1 0 246.173 3.477 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070599043 361582831 /nfs/dbraw/zinc/58/28/31/361582831.db2.gz HSYIDQZCMVZHBN-MRVPVSSYSA-N 1 0 246.173 3.477 10 30 BGEERO CC1(C)CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000070654324 135004410 /nfs/dbraw/zinc/00/44/10/135004410.db2.gz PRABDHGWFRLCEL-DGCLKSJQSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000070654325 135004641 /nfs/dbraw/zinc/00/46/41/135004641.db2.gz PRABDHGWFRLCEL-YPMHNXCESA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000070654326 135004306 /nfs/dbraw/zinc/00/43/06/135004306.db2.gz PRABDHGWFRLCEL-WCQYABFASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000070654327 135003768 /nfs/dbraw/zinc/00/37/68/135003768.db2.gz PRABDHGWFRLCEL-AAEUAGOBSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000070683447 359062145 /nfs/dbraw/zinc/06/21/45/359062145.db2.gz LQWLLPGUDNJJNL-FRRDWIJNSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000070683456 359061951 /nfs/dbraw/zinc/06/19/51/359061951.db2.gz LQWLLPGUDNJJNL-AGIUHOORSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H](CC#N)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000071203021 135019000 /nfs/dbraw/zinc/01/90/00/135019000.db2.gz FHNHCSWFKMKSRD-STQMWFEESA-N 1 0 222.376 3.437 10 30 BGEERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC#N)c1ccccc1 ZINC000071207200 176131651 /nfs/dbraw/zinc/13/16/51/176131651.db2.gz WMWGXOJQHLVCTE-SNPRPXQTSA-N 1 0 228.339 3.420 10 30 BGEERO C[C@H]1CCC[C@@H]1[NH2+][C@@H](CC#N)c1ccccc1 ZINC000071207201 177126595 /nfs/dbraw/zinc/12/65/95/177126595.db2.gz WMWGXOJQHLVCTE-QEJZJMRPSA-N 1 0 228.339 3.420 10 30 BGEERO C[C@@H]1CCC[C@H]1[NH2+][C@@H](CC#N)c1ccccc1 ZINC000071207202 176150687 /nfs/dbraw/zinc/15/06/87/176150687.db2.gz WMWGXOJQHLVCTE-YUELXQCFSA-N 1 0 228.339 3.420 10 30 BGEERO C[C@H]1CCC[C@H]1[NH2+][C@@H](CC#N)c1ccccc1 ZINC000071207203 177142963 /nfs/dbraw/zinc/14/29/63/177142963.db2.gz WMWGXOJQHLVCTE-CFVMTHIKSA-N 1 0 228.339 3.420 10 30 BGEERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000071269974 343646624 /nfs/dbraw/zinc/64/66/24/343646624.db2.gz OIOBWRBAHMUNSQ-YRGRVCCFSA-N 1 0 248.395 3.351 10 30 BGEERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000071269977 343646790 /nfs/dbraw/zinc/64/67/90/343646790.db2.gz OIOBWRBAHMUNSQ-BZPMIXESSA-N 1 0 248.395 3.351 10 30 BGEERO CCC[NH2+]Cc1cc(C)ccc1O[C@H](C#N)CC ZINC000071406193 169266058 /nfs/dbraw/zinc/26/60/58/169266058.db2.gz KAXZIEQMUFBFBH-AWEZNQCLSA-N 1 0 246.354 3.176 10 30 BGEERO CCC[NH2+]Cc1cc(C)ccc1O[C@@H](C#N)CC ZINC000071406194 169265386 /nfs/dbraw/zinc/26/53/86/169265386.db2.gz KAXZIEQMUFBFBH-CQSZACIVSA-N 1 0 246.354 3.176 10 30 BGEERO C=C(C)COc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412327 187359476 /nfs/dbraw/zinc/35/94/76/187359476.db2.gz YYQFPLJRZHJVGW-CQSZACIVSA-N 1 0 233.355 3.230 10 30 BGEERO C=C(C)COc1ccc(C[C@H](C)[NH2+]CC)cc1 ZINC000071444265 188402806 /nfs/dbraw/zinc/40/28/06/188402806.db2.gz SGBMSFJQQCIFDJ-ZDUSSCGKSA-N 1 0 233.355 3.182 10 30 BGEERO CC(C)(C)c1ccc(C2(C#N)CC[NH2+]CC2)cc1 ZINC000071551500 188096599 /nfs/dbraw/zinc/09/65/99/188096599.db2.gz SEKHOZGLAWIYDJ-UHFFFAOYSA-N 1 0 242.366 3.129 10 30 BGEERO CCCCCCCCCC(=O)[C@@H]([NH3+])CC ZINC000073164045 188287942 /nfs/dbraw/zinc/28/79/42/188287942.db2.gz CHUUFNGUFRWICF-LBPRGKRZSA-N 1 0 213.365 3.434 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075060 353331177 /nfs/dbraw/zinc/33/11/77/353331177.db2.gz OPUDPSXKRYKXGG-CVEARBPZSA-N 1 0 245.366 3.151 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075064 353330802 /nfs/dbraw/zinc/33/08/02/353330802.db2.gz OPUDPSXKRYKXGG-HOTGVXAUSA-N 1 0 245.366 3.151 10 30 BGEERO C=CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075489 353330812 /nfs/dbraw/zinc/33/08/12/353330812.db2.gz MFVZPDLGWJVVSV-CVEARBPZSA-N 1 0 245.366 3.151 10 30 BGEERO C=CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075491 353330760 /nfs/dbraw/zinc/33/07/60/353330760.db2.gz MFVZPDLGWJVVSV-HOTGVXAUSA-N 1 0 245.366 3.151 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@H](C)C1 ZINC000078465734 135124841 /nfs/dbraw/zinc/12/48/41/135124841.db2.gz GPLTZBCNYIVVFI-XGFWRYKXSA-N 1 0 220.360 3.093 10 30 BGEERO CCCCCCCCCC[NH2+][C@@H](C)O ZINC000082204279 347306301 /nfs/dbraw/zinc/30/63/01/347306301.db2.gz RKVIJFPPRJRTIL-GFCCVEGCSA-N 1 0 201.354 3.055 10 30 BGEERO CCCCCCCCCC[NH2+][C@H](C)O ZINC000082204281 347305906 /nfs/dbraw/zinc/30/59/06/347305906.db2.gz RKVIJFPPRJRTIL-LBPRGKRZSA-N 1 0 201.354 3.055 10 30 BGEERO CC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000082625364 643356117 /nfs/dbraw/zinc/35/61/17/643356117.db2.gz MPRZIDZYVZFVPA-CHWSQXEVSA-N 1 0 220.360 3.239 10 30 BGEERO CC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000082625365 643355386 /nfs/dbraw/zinc/35/53/86/643355386.db2.gz MPRZIDZYVZFVPA-OLZOCXBDSA-N 1 0 220.360 3.239 10 30 BGEERO CC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCCC1 ZINC000082625366 643354873 /nfs/dbraw/zinc/35/48/73/643354873.db2.gz MPRZIDZYVZFVPA-QWHCGFSZSA-N 1 0 220.360 3.239 10 30 BGEERO CC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCCC1 ZINC000082625367 643355754 /nfs/dbraw/zinc/35/57/54/643355754.db2.gz MPRZIDZYVZFVPA-STQMWFEESA-N 1 0 220.360 3.239 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000082665300 388038160 /nfs/dbraw/zinc/03/81/60/388038160.db2.gz HNJGFPRGPYLPBN-FPMFFAJLSA-N 1 0 214.312 3.029 10 30 BGEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000082665301 388038003 /nfs/dbraw/zinc/03/80/03/388038003.db2.gz HNJGFPRGPYLPBN-UBHSHLNASA-N 1 0 214.312 3.029 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C[C@@H]1C ZINC000082837433 348830961 /nfs/dbraw/zinc/83/09/61/348830961.db2.gz MFCAGFMEUBCUPC-XHJNMGKDSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000082859354 348854845 /nfs/dbraw/zinc/85/48/45/348854845.db2.gz KVTPSOYXWAHNJT-XVIXHAIJSA-N 1 0 220.360 3.093 10 30 BGEERO N#Cc1cc(C[NH2+]C2CCCCC2)ccc1F ZINC000083358861 181085604 /nfs/dbraw/zinc/08/56/04/181085604.db2.gz DWCHFYOPYPBRJB-UHFFFAOYSA-N 1 0 232.302 3.120 10 30 BGEERO N#Cc1cc(C[NH2+]Cc2cccs2)ccc1F ZINC000083375207 181086073 /nfs/dbraw/zinc/08/60/73/181086073.db2.gz ODMCOICBMZFJRS-UHFFFAOYSA-N 1 0 246.310 3.049 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000083427990 643451702 /nfs/dbraw/zinc/45/17/02/643451702.db2.gz NDKSYBYZXNTJAX-YIYPIFLZSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+]CCC(C)(C)C#N)c1cccs1 ZINC000083638135 136211466 /nfs/dbraw/zinc/21/14/66/136211466.db2.gz DGUSIPSDYUMCKJ-JTQLQIEISA-N 1 0 222.357 3.339 10 30 BGEERO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccs1 ZINC000083638136 136211490 /nfs/dbraw/zinc/21/14/90/136211490.db2.gz DGUSIPSDYUMCKJ-SNVBAGLBSA-N 1 0 222.357 3.339 10 30 BGEERO Cc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)o1 ZINC000083638362 136211568 /nfs/dbraw/zinc/21/15/68/136211568.db2.gz IJQCTBMLJANIDV-LLVKDONJSA-N 1 0 220.316 3.179 10 30 BGEERO Cc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)o1 ZINC000083638363 136211561 /nfs/dbraw/zinc/21/15/61/136211561.db2.gz IJQCTBMLJANIDV-NSHDSACASA-N 1 0 220.316 3.179 10 30 BGEERO C=C(C)[C@@H]1[NH2+]CCc2cccc(Cl)c21 ZINC000083661247 188009861 /nfs/dbraw/zinc/00/98/61/188009861.db2.gz ZVAMSHJGYPNXJD-LBPRGKRZSA-N 1 0 207.704 3.103 10 30 BGEERO C=C(C)[C@H]1[NH2+]CCc2cc(Cl)ccc21 ZINC000083661248 188009900 /nfs/dbraw/zinc/00/99/00/188009900.db2.gz MANVKMRZDIINLH-GFCCVEGCSA-N 1 0 207.704 3.103 10 30 BGEERO C=C(C)[C@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000083667477 188010050 /nfs/dbraw/zinc/01/00/50/188010050.db2.gz ZADVCQYUUYEMPB-GFCCVEGCSA-N 1 0 207.704 3.103 10 30 BGEERO CC1CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000083854283 388063102 /nfs/dbraw/zinc/06/31/02/388063102.db2.gz SRWHXFCEDSZVJY-UHFFFAOYSA-N 1 0 220.360 3.096 10 30 BGEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000083949225 343688938 /nfs/dbraw/zinc/68/89/38/343688938.db2.gz FTDSQHLTIYVTDN-YIYPIFLZSA-N 1 0 220.360 3.237 10 30 BGEERO CCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000084201678 344112610 /nfs/dbraw/zinc/11/26/10/344112610.db2.gz CBXODJHQMNLDCZ-GDBMZVCRSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000084201681 344112273 /nfs/dbraw/zinc/11/22/73/344112273.db2.gz CBXODJHQMNLDCZ-ZBFHGGJFSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000084201685 344112665 /nfs/dbraw/zinc/11/26/65/344112665.db2.gz CBXODJHQMNLDCZ-GOEBONIOSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000084201687 344112403 /nfs/dbraw/zinc/11/24/03/344112403.db2.gz CBXODJHQMNLDCZ-HOCLYGCPSA-N 1 0 242.366 3.421 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000084329368 387443529 /nfs/dbraw/zinc/44/35/29/387443529.db2.gz KKZNWJVANKTFJK-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000084329370 387444618 /nfs/dbraw/zinc/44/46/18/387444618.db2.gz KKZNWJVANKTFJK-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000084329372 387443778 /nfs/dbraw/zinc/44/37/78/387443778.db2.gz KKZNWJVANKTFJK-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000084329374 387444038 /nfs/dbraw/zinc/44/40/38/387444038.db2.gz KKZNWJVANKTFJK-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000084342801 135210407 /nfs/dbraw/zinc/21/04/07/135210407.db2.gz STSSKCGZLAMMPW-XJFOESAGSA-N 1 0 220.360 3.095 10 30 BGEERO CCCCCCCCCC(=O)OCCC[NH3+] ZINC000084706648 187779400 /nfs/dbraw/zinc/77/94/00/187779400.db2.gz SLAFASINZYBZRJ-UHFFFAOYSA-N 1 0 229.364 3.019 10 30 BGEERO C=CCn1cc(C2CC[NH2+]CC2)c2ccccc21 ZINC000084859082 368858824 /nfs/dbraw/zinc/85/88/24/368858824.db2.gz RYHFKPXFNJUQMI-UHFFFAOYSA-N 1 0 240.350 3.294 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C[C@@H]1C ZINC000085055579 344497465 /nfs/dbraw/zinc/49/74/65/344497465.db2.gz YBJCOZHEIRRTBG-QKGCVVFFSA-N 1 0 234.387 3.483 10 30 BGEERO N#C[C@H]1CCC[C@H]1NCc1cc(Cl)cs1 ZINC000086332788 384637904 /nfs/dbraw/zinc/63/79/04/384637904.db2.gz VLDLPWLODPVIMD-LDYMZIIASA-N 1 0 240.759 3.183 10 30 BGEERO N#C[C@H]1CCC[C@@H]1NCc1cc(Cl)cs1 ZINC000086332789 384640507 /nfs/dbraw/zinc/64/05/07/384640507.db2.gz VLDLPWLODPVIMD-KCJUWKMLSA-N 1 0 240.759 3.183 10 30 BGEERO N#C[C@@H]1CCC[C@H]1NCc1cc(Cl)cs1 ZINC000086332790 384640226 /nfs/dbraw/zinc/64/02/26/384640226.db2.gz VLDLPWLODPVIMD-GZMMTYOYSA-N 1 0 240.759 3.183 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1NCc1cc(Cl)cs1 ZINC000086332792 384640733 /nfs/dbraw/zinc/64/07/33/384640733.db2.gz VLDLPWLODPVIMD-KWQFWETISA-N 1 0 240.759 3.183 10 30 BGEERO CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000086500224 135087460 /nfs/dbraw/zinc/08/74/60/135087460.db2.gz MAAUTQZPKVQZEF-LBPRGKRZSA-N 1 0 222.357 3.144 10 30 BGEERO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000086500225 535805397 /nfs/dbraw/zinc/80/53/97/535805397.db2.gz MAAUTQZPKVQZEF-GFCCVEGCSA-N 1 0 222.357 3.144 10 30 BGEERO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000086845204 344223607 /nfs/dbraw/zinc/22/36/07/344223607.db2.gz NWGYIUFDXBXBMT-UPJWGTAASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000086845209 352644283 /nfs/dbraw/zinc/64/42/83/352644283.db2.gz NWGYIUFDXBXBMT-AGIUHOORSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000086874368 344224221 /nfs/dbraw/zinc/22/42/21/344224221.db2.gz AYLCUZTUNLZWQA-UPJWGTAASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000086874374 344224618 /nfs/dbraw/zinc/22/46/18/344224618.db2.gz AYLCUZTUNLZWQA-AGIUHOORSA-N 1 0 220.360 3.237 10 30 BGEERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000087309868 354663402 /nfs/dbraw/zinc/66/34/02/354663402.db2.gz XJAAKQDTYGBKJO-VXGBXAGGSA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000087309869 354663168 /nfs/dbraw/zinc/66/31/68/354663168.db2.gz XJAAKQDTYGBKJO-NEPJUHHUSA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000087309870 354663513 /nfs/dbraw/zinc/66/35/13/354663513.db2.gz XJAAKQDTYGBKJO-NWDGAFQWSA-N 1 0 234.368 3.229 10 30 BGEERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000087309871 354662984 /nfs/dbraw/zinc/66/29/84/354662984.db2.gz XJAAKQDTYGBKJO-RYUDHWBXSA-N 1 0 234.368 3.229 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087369682 256523315 /nfs/dbraw/zinc/52/33/15/256523315.db2.gz JCANACIMBPNNGA-NSHDSACASA-N 1 0 207.292 3.361 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000088162854 398293753 /nfs/dbraw/zinc/29/37/53/398293753.db2.gz WQAATBQQLIISQD-FPMFFAJLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000088162855 398293759 /nfs/dbraw/zinc/29/37/59/398293759.db2.gz WQAATBQQLIISQD-UBHSHLNASA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000088163006 398293671 /nfs/dbraw/zinc/29/36/71/398293671.db2.gz BPZDOZFEAHDSKE-FPMFFAJLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCCC1 ZINC000088163007 356556829 /nfs/dbraw/zinc/55/68/29/356556829.db2.gz BPZDOZFEAHDSKE-UBHSHLNASA-N 1 0 220.360 3.237 10 30 BGEERO CSC(=[NH2+])Nc1ccc2sccc2c1 ZINC000089195349 383940972 /nfs/dbraw/zinc/94/09/72/383940972.db2.gz UZXHAXPHIBYRDS-UHFFFAOYSA-N 1 0 222.338 3.211 10 30 BGEERO CC(C)C[N@H+](CCC#N)C[C@@H]1Cc2ccccc21 ZINC000090976996 644609212 /nfs/dbraw/zinc/60/92/12/644609212.db2.gz YLRAJKFEOFCHQL-HNNXBMFYSA-N 1 0 242.366 3.198 10 30 BGEERO CC(C)C[N@H+](CCC#N)C[C@H]1Cc2ccccc21 ZINC000090976997 644608861 /nfs/dbraw/zinc/60/88/61/644608861.db2.gz YLRAJKFEOFCHQL-OAHLLOKOSA-N 1 0 242.366 3.198 10 30 BGEERO N#C[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000091304601 181069268 /nfs/dbraw/zinc/06/92/68/181069268.db2.gz AZJDDEMTCSSXFD-CVEARBPZSA-N 1 0 240.350 3.202 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091425807 644625152 /nfs/dbraw/zinc/62/51/52/644625152.db2.gz JJBYUTRVKXVWKB-IYXRBSQSSA-N 1 0 227.392 3.096 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]CC1CC(O)C1 ZINC000091425808 644625194 /nfs/dbraw/zinc/62/51/94/644625194.db2.gz JJBYUTRVKXVWKB-HSBZDZAISA-N 1 0 227.392 3.096 10 30 BGEERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000093492150 256637375 /nfs/dbraw/zinc/63/73/75/256637375.db2.gz IWMYEMUVBVPUOF-SNVBAGLBSA-N 1 0 246.335 3.372 10 30 BGEERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000093492151 388011623 /nfs/dbraw/zinc/01/16/23/388011623.db2.gz IWMYEMUVBVPUOF-JTQLQIEISA-N 1 0 246.335 3.372 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519776 360310996 /nfs/dbraw/zinc/31/09/96/360310996.db2.gz FZRGZFZPDZJKHL-HZPDHXFCSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519777 360311905 /nfs/dbraw/zinc/31/19/05/360311905.db2.gz FZRGZFZPDZJKHL-CVEARBPZSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519778 360312004 /nfs/dbraw/zinc/31/20/04/360312004.db2.gz FZRGZFZPDZJKHL-JKSUJKDBSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519779 360311018 /nfs/dbraw/zinc/31/10/18/360311018.db2.gz FZRGZFZPDZJKHL-HOTGVXAUSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519780 360311684 /nfs/dbraw/zinc/31/16/84/360311684.db2.gz JDLOLTZKWCZAET-HZPDHXFCSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519781 360311498 /nfs/dbraw/zinc/31/14/98/360311498.db2.gz JDLOLTZKWCZAET-CVEARBPZSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519782 360311625 /nfs/dbraw/zinc/31/16/25/360311625.db2.gz JDLOLTZKWCZAET-JKSUJKDBSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519783 360311922 /nfs/dbraw/zinc/31/19/22/360311922.db2.gz JDLOLTZKWCZAET-HOTGVXAUSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094519784 358229470 /nfs/dbraw/zinc/22/94/70/358229470.db2.gz FVNOQZHOISANFH-CZUORRHYSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094519785 358229715 /nfs/dbraw/zinc/22/97/15/358229715.db2.gz FVNOQZHOISANFH-CJNGLKHVSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094519786 358229712 /nfs/dbraw/zinc/22/97/12/358229712.db2.gz FVNOQZHOISANFH-XJKSGUPXSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094519787 358229700 /nfs/dbraw/zinc/22/97/00/358229700.db2.gz FVNOQZHOISANFH-BBRMVZONSA-N 1 0 240.350 3.346 10 30 BGEERO SCC1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095078996 188145638 /nfs/dbraw/zinc/14/56/38/188145638.db2.gz SHSJNUCRHVBQKH-UHFFFAOYSA-N 1 0 247.407 3.219 10 30 BGEERO SCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095079022 384354840 /nfs/dbraw/zinc/35/48/40/384354840.db2.gz VRXKAHREFJPANC-CQSZACIVSA-N 1 0 235.396 3.219 10 30 BGEERO SCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095079023 384356275 /nfs/dbraw/zinc/35/62/75/384356275.db2.gz VRXKAHREFJPANC-AWEZNQCLSA-N 1 0 235.396 3.219 10 30 BGEERO SCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095079025 188145385 /nfs/dbraw/zinc/14/53/85/188145385.db2.gz CZVRRXQQJBNBFC-UHFFFAOYSA-N 1 0 235.396 3.219 10 30 BGEERO CC(C)[N@@H+]1CCC2(C1)CCC(CS)CC2 ZINC000095088227 384361290 /nfs/dbraw/zinc/36/12/90/384361290.db2.gz KWQRCQXYVWMBBB-UHFFFAOYSA-N 1 0 227.417 3.207 10 30 BGEERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1S ZINC000095090649 177265949 /nfs/dbraw/zinc/26/59/49/177265949.db2.gz BRPHQTWLZRAHAB-ONXXMXGDSA-N 1 0 235.396 3.073 10 30 BGEERO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1S ZINC000095090650 177265904 /nfs/dbraw/zinc/26/59/04/177265904.db2.gz BRPHQTWLZRAHAB-RYUDHWBXSA-N 1 0 235.396 3.073 10 30 BGEERO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1S ZINC000095090651 176306410 /nfs/dbraw/zinc/30/64/10/176306410.db2.gz BRPHQTWLZRAHAB-VXGBXAGGSA-N 1 0 235.396 3.073 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000096034190 188224150 /nfs/dbraw/zinc/22/41/50/188224150.db2.gz NLIQPCAMDKEHIA-VIFPVBQESA-N 1 0 211.255 3.192 10 30 BGEERO C=C(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000096034191 386583409 /nfs/dbraw/zinc/58/34/09/386583409.db2.gz NLIQPCAMDKEHIA-SECBINFHSA-N 1 0 211.255 3.192 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000096034234 166300345 /nfs/dbraw/zinc/30/03/45/166300345.db2.gz LDPXPFOVFZARPQ-RYUDHWBXSA-N 1 0 204.317 3.087 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000096034235 166294959 /nfs/dbraw/zinc/29/49/59/166294959.db2.gz LDPXPFOVFZARPQ-NEPJUHHUSA-N 1 0 204.317 3.087 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000096034236 166301313 /nfs/dbraw/zinc/30/13/13/166301313.db2.gz LDPXPFOVFZARPQ-NWDGAFQWSA-N 1 0 204.317 3.087 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000096034237 166294452 /nfs/dbraw/zinc/29/44/52/166294452.db2.gz LDPXPFOVFZARPQ-VXGBXAGGSA-N 1 0 204.317 3.087 10 30 BGEERO Cc1ccc(C)c(CCCC[NH2+]CCS)c1 ZINC000096328057 384453342 /nfs/dbraw/zinc/45/33/42/384453342.db2.gz BEHBDYZLHMOZAU-UHFFFAOYSA-N 1 0 237.412 3.146 10 30 BGEERO CCCCCCCC[NH2+][C@@H](C)CCCO ZINC000100513188 410125355 /nfs/dbraw/zinc/12/53/55/410125355.db2.gz TUQFVYCVWNKWCD-ZDUSSCGKSA-N 1 0 215.381 3.098 10 30 BGEERO CCCCCCCC[NH2+][C@H](C)CCCO ZINC000100513191 398317726 /nfs/dbraw/zinc/31/77/26/398317726.db2.gz TUQFVYCVWNKWCD-CYBMUJFWSA-N 1 0 215.381 3.098 10 30 BGEERO CCCCCCCOc1ccc(C(N)=[NH2+])cc1 ZINC000102027160 168656119 /nfs/dbraw/zinc/65/61/19/168656119.db2.gz HWAHVIWUDFMTJO-UHFFFAOYSA-N 1 0 234.343 3.320 10 30 BGEERO CCCCCCC[NH2+]C[C@@H](C)N1CCCCC1 ZINC000103091164 188150813 /nfs/dbraw/zinc/15/08/13/188150813.db2.gz FNCHGEQAAUNDND-OAHLLOKOSA-N 1 0 240.435 3.421 10 30 BGEERO CCCCCCC[NH2+]C[C@H](C)N1CCCCC1 ZINC000103091168 187291641 /nfs/dbraw/zinc/29/16/41/187291641.db2.gz FNCHGEQAAUNDND-HNNXBMFYSA-N 1 0 240.435 3.421 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+]Cc1cn[nH]c1 ZINC000103336226 520066268 /nfs/dbraw/zinc/06/62/68/520066268.db2.gz SARSAQJDVQLHDP-GFCCVEGCSA-N 1 0 223.364 3.248 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000103336229 520068010 /nfs/dbraw/zinc/06/80/10/520068010.db2.gz SARSAQJDVQLHDP-LBPRGKRZSA-N 1 0 223.364 3.248 10 30 BGEERO C=CCn1c(N)c(CCCCCC)[nH+]c1CC ZINC000103501207 188323560 /nfs/dbraw/zinc/32/35/60/188323560.db2.gz QNTCLAHASINDKA-UHFFFAOYSA-N 1 0 235.375 3.337 10 30 BGEERO C#CCn1c(N)c(CCCCCCC)[nH+]c1CC ZINC000103501570 188150737 /nfs/dbraw/zinc/15/07/37/188150737.db2.gz STOXHWMMXBBOEV-UHFFFAOYSA-N 1 0 247.386 3.174 10 30 BGEERO CCCCCCC[NH2+]C1(CO)CCC(C)CC1 ZINC000103616291 188150605 /nfs/dbraw/zinc/15/06/05/188150605.db2.gz ZDIDQQKXOBIZIT-UHFFFAOYSA-N 1 0 241.419 3.488 10 30 BGEERO c1ccc(N2CCC/C2=[NH+]/c2ccncc2)cc1 ZINC000103624566 384780707 /nfs/dbraw/zinc/78/07/07/384780707.db2.gz FCTBMRNUOZWFTC-ICFOKQHNSA-N 1 0 237.306 3.412 10 30 BGEERO CCCCCCCN(C)CC[NH2+]C(C)(C)C ZINC000103625003 187291312 /nfs/dbraw/zinc/29/13/12/187291312.db2.gz XWZGQGMJZYAVBH-UHFFFAOYSA-N 1 0 228.424 3.277 10 30 BGEERO CCCCCCC[N@H+](CCC#N)C1CC1 ZINC000104084208 188161041 /nfs/dbraw/zinc/16/10/41/188161041.db2.gz AWAOREHMBCNAMH-UHFFFAOYSA-N 1 0 208.349 3.335 10 30 BGEERO N#Cc1cccc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104093688 181138337 /nfs/dbraw/zinc/13/83/37/181138337.db2.gz JBFBRNUZFJXPLF-MAZHCROVSA-N 1 0 240.350 3.084 10 30 BGEERO N#Cc1cccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104093694 181137969 /nfs/dbraw/zinc/13/79/69/181137969.db2.gz JBFBRNUZFJXPLF-APHBMKBZSA-N 1 0 240.350 3.084 10 30 BGEERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C#N)CC ZINC000104334364 170159159 /nfs/dbraw/zinc/15/91/59/170159159.db2.gz CCNJYXJMHQCDPI-OLZOCXBDSA-N 1 0 246.354 3.347 10 30 BGEERO CC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H](C#N)CC ZINC000104334368 170159488 /nfs/dbraw/zinc/15/94/88/170159488.db2.gz CCNJYXJMHQCDPI-CHWSQXEVSA-N 1 0 246.354 3.347 10 30 BGEERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C#N)CC ZINC000104334371 170142090 /nfs/dbraw/zinc/14/20/90/170142090.db2.gz CCNJYXJMHQCDPI-STQMWFEESA-N 1 0 246.354 3.347 10 30 BGEERO CC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](C#N)CC ZINC000104334375 170142140 /nfs/dbraw/zinc/14/21/40/170142140.db2.gz CCNJYXJMHQCDPI-QWHCGFSZSA-N 1 0 246.354 3.347 10 30 BGEERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCCCC#N ZINC000104335275 170142294 /nfs/dbraw/zinc/14/22/94/170142294.db2.gz BTCIUFOTMQBENL-ZDUSSCGKSA-N 1 0 246.354 3.348 10 30 BGEERO CC[NH2+][C@H](C)c1ccc(C)cc1OCCCC#N ZINC000104335278 170159083 /nfs/dbraw/zinc/15/90/83/170159083.db2.gz BTCIUFOTMQBENL-CYBMUJFWSA-N 1 0 246.354 3.348 10 30 BGEERO CCC[NH2+][C@@H](C)c1ccc(C)cc1O[C@@H](C)C#N ZINC000104336472 169275971 /nfs/dbraw/zinc/27/59/71/169275971.db2.gz VTPIGCRQOIDPOJ-STQMWFEESA-N 1 0 246.354 3.347 10 30 BGEERO CCC[NH2+][C@H](C)c1ccc(C)cc1O[C@@H](C)C#N ZINC000104336477 169287225 /nfs/dbraw/zinc/28/72/25/169287225.db2.gz VTPIGCRQOIDPOJ-QWHCGFSZSA-N 1 0 246.354 3.347 10 30 BGEERO CCC[NH2+][C@@H](C)c1ccc(C)cc1O[C@H](C)C#N ZINC000104336483 169275969 /nfs/dbraw/zinc/27/59/69/169275969.db2.gz VTPIGCRQOIDPOJ-OLZOCXBDSA-N 1 0 246.354 3.347 10 30 BGEERO CCC[NH2+][C@H](C)c1ccc(C)cc1O[C@H](C)C#N ZINC000104336487 169287278 /nfs/dbraw/zinc/28/72/78/169287278.db2.gz VTPIGCRQOIDPOJ-CHWSQXEVSA-N 1 0 246.354 3.347 10 30 BGEERO C#CCOc1cc(C)ccc1[C@H](C)[NH2+]CCC ZINC000104337658 166197488 /nfs/dbraw/zinc/19/74/88/166197488.db2.gz KCHCRRGZONZJFH-ZDUSSCGKSA-N 1 0 231.339 3.068 10 30 BGEERO C#CCOc1cc(C)ccc1[C@@H](C)[NH2+]CCC ZINC000104337662 166197826 /nfs/dbraw/zinc/19/78/26/166197826.db2.gz KCHCRRGZONZJFH-CYBMUJFWSA-N 1 0 231.339 3.068 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CCC[C@@H](C)CC2)C1 ZINC000104347531 176103166 /nfs/dbraw/zinc/10/31/66/176103166.db2.gz CYQLNOSBOUDZFP-KBUPBQIOSA-N 1 0 234.387 3.437 10 30 BGEERO C#CCC[C@H]([NH2+]CCC)c1ccccc1OC ZINC000104349607 166152735 /nfs/dbraw/zinc/15/27/35/166152735.db2.gz PPPVWNJFOXOXQU-AWEZNQCLSA-N 1 0 231.339 3.149 10 30 BGEERO C#CCC[C@@H]([NH2+]CCC)c1ccccc1OC ZINC000104349611 166152456 /nfs/dbraw/zinc/15/24/56/166152456.db2.gz PPPVWNJFOXOXQU-CQSZACIVSA-N 1 0 231.339 3.149 10 30 BGEERO C#CCC[C@H]([NH2+]CC)c1cccc(OCC)c1 ZINC000104349617 166152578 /nfs/dbraw/zinc/15/25/78/166152578.db2.gz PIFPHMUAZDWSCH-HNNXBMFYSA-N 1 0 231.339 3.149 10 30 BGEERO C#CCC[C@@H]([NH2+]CC)c1cccc(OCC)c1 ZINC000104349621 166152652 /nfs/dbraw/zinc/15/26/52/166152652.db2.gz PIFPHMUAZDWSCH-OAHLLOKOSA-N 1 0 231.339 3.149 10 30 BGEERO C#CCC[C@@H](CCc1ccccc1)[NH2+]CCC ZINC000104352861 166151513 /nfs/dbraw/zinc/15/15/13/166151513.db2.gz ZIERGJPWUCRXET-INIZCTEOSA-N 1 0 229.367 3.401 10 30 BGEERO C#CCC[C@H](CCc1ccccc1)[NH2+]CCC ZINC000104352866 166151964 /nfs/dbraw/zinc/15/19/64/166151964.db2.gz ZIERGJPWUCRXET-MRXNPFEDSA-N 1 0 229.367 3.401 10 30 BGEERO C#CCC[C@H]([NH2+]CCC)c1cc(F)cc(F)c1 ZINC000104352869 166152585 /nfs/dbraw/zinc/15/25/85/166152585.db2.gz LVUAOHGRHWEGFB-AWEZNQCLSA-N 1 0 237.293 3.419 10 30 BGEERO C#CCC[C@@H]([NH2+]CCC)c1cc(F)cc(F)c1 ZINC000104352874 166152056 /nfs/dbraw/zinc/15/20/56/166152056.db2.gz LVUAOHGRHWEGFB-CQSZACIVSA-N 1 0 237.293 3.419 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000104353813 176218814 /nfs/dbraw/zinc/21/88/14/176218814.db2.gz LPVLFHWMKKJNDF-BPLDGKMQSA-N 1 0 234.387 3.437 10 30 BGEERO C[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000104353818 176194788 /nfs/dbraw/zinc/19/47/88/176194788.db2.gz LPVLFHWMKKJNDF-VHDGCEQUSA-N 1 0 234.387 3.437 10 30 BGEERO C#CCC[C@@H](Cc1cccc(C)c1)[NH2+]CCC ZINC000104354161 166152134 /nfs/dbraw/zinc/15/21/34/166152134.db2.gz PJKIOLDLCOAHED-INIZCTEOSA-N 1 0 229.367 3.319 10 30 BGEERO C#CCC[C@H](Cc1cccc(C)c1)[NH2+]CCC ZINC000104354165 166152192 /nfs/dbraw/zinc/15/21/92/166152192.db2.gz PJKIOLDLCOAHED-MRXNPFEDSA-N 1 0 229.367 3.319 10 30 BGEERO C#CCC[C@@H](Cc1cc(C)cc(C)c1)[NH2+]CC ZINC000104354178 166152289 /nfs/dbraw/zinc/15/22/89/166152289.db2.gz MVGSFFJERHOKMW-INIZCTEOSA-N 1 0 229.367 3.237 10 30 BGEERO C#CCC[C@H](Cc1cc(C)cc(C)c1)[NH2+]CC ZINC000104354182 166152194 /nfs/dbraw/zinc/15/21/94/166152194.db2.gz MVGSFFJERHOKMW-MRXNPFEDSA-N 1 0 229.367 3.237 10 30 BGEERO C#CCC[C@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000104355668 166152853 /nfs/dbraw/zinc/15/28/53/166152853.db2.gz FUADSUJCIXQDNL-DQGBIZLVSA-N 1 0 231.383 3.204 10 30 BGEERO C#CCC[C@@H]([NH2+]C)C12CC3CC(CC(C3)C1)C2 ZINC000104355670 166152404 /nfs/dbraw/zinc/15/24/04/166152404.db2.gz FUADSUJCIXQDNL-IBHBGHMQSA-N 1 0 231.383 3.204 10 30 BGEERO C#CCC[C@@H](Cc1ccc(C)c(C)c1)[NH2+]CC ZINC000104355673 166151910 /nfs/dbraw/zinc/15/19/10/166151910.db2.gz XTGPGMRSZWGICO-INIZCTEOSA-N 1 0 229.367 3.237 10 30 BGEERO C#CCC[C@H](Cc1ccc(C)c(C)c1)[NH2+]CC ZINC000104355676 166152561 /nfs/dbraw/zinc/15/25/61/166152561.db2.gz XTGPGMRSZWGICO-MRXNPFEDSA-N 1 0 229.367 3.237 10 30 BGEERO C#CCC[C@H]([NH2+]C)C1(c2ccccc2)CCC1 ZINC000104357135 166152795 /nfs/dbraw/zinc/15/27/95/166152795.db2.gz YYURWUBIQHTJGC-HNNXBMFYSA-N 1 0 227.351 3.110 10 30 BGEERO C#CCC[C@@H]([NH2+]C)C1(c2ccccc2)CCC1 ZINC000104357139 166151736 /nfs/dbraw/zinc/15/17/36/166151736.db2.gz YYURWUBIQHTJGC-OAHLLOKOSA-N 1 0 227.351 3.110 10 30 BGEERO C#CCC[C@H]([NH2+]C)C1(c2ccccc2)CCCC1 ZINC000104358589 166151700 /nfs/dbraw/zinc/15/17/00/166151700.db2.gz DPPBHAGPQXTICC-INIZCTEOSA-N 1 0 241.378 3.500 10 30 BGEERO C#CCC[C@@H]([NH2+]C)C1(c2ccccc2)CCCC1 ZINC000104358592 166152961 /nfs/dbraw/zinc/15/29/61/166152961.db2.gz DPPBHAGPQXTICC-MRXNPFEDSA-N 1 0 241.378 3.500 10 30 BGEERO C#CCC[C@H]([NH2+]CC)[C@@H]1CCCc2ccccc21 ZINC000104360191 166151915 /nfs/dbraw/zinc/15/19/15/166151915.db2.gz FHTLSJGUEYJUTL-SJORKVTESA-N 1 0 241.378 3.498 10 30 BGEERO C#CCC[C@@H]([NH2+]CC)[C@@H]1CCCc2ccccc21 ZINC000104360195 166152871 /nfs/dbraw/zinc/15/28/71/166152871.db2.gz FHTLSJGUEYJUTL-IAGOWNOFSA-N 1 0 241.378 3.498 10 30 BGEERO C#CCC[C@H]([NH2+]CC)[C@H]1CCCc2ccccc21 ZINC000104360199 166151717 /nfs/dbraw/zinc/15/17/17/166151717.db2.gz FHTLSJGUEYJUTL-IRXDYDNUSA-N 1 0 241.378 3.498 10 30 BGEERO C#CCC[C@@H]([NH2+]CC)[C@H]1CCCc2ccccc21 ZINC000104360204 166151851 /nfs/dbraw/zinc/15/18/51/166151851.db2.gz FHTLSJGUEYJUTL-DLBZAZTESA-N 1 0 241.378 3.498 10 30 BGEERO C#CCCOc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000104362625 166150303 /nfs/dbraw/zinc/15/03/03/166150303.db2.gz DSJFJIWAMWSKLK-UHFFFAOYSA-N 1 0 245.366 3.285 10 30 BGEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406705 171046307 /nfs/dbraw/zinc/04/63/07/171046307.db2.gz PTXGKCSNTJKACD-VYDRJRHOSA-N 1 0 234.387 3.293 10 30 BGEERO CC1(C[NH2+]Cc2ccccc2C#N)CCCC1 ZINC000104430805 168044444 /nfs/dbraw/zinc/04/44/44/168044444.db2.gz SWEJGRNMMNRSSB-UHFFFAOYSA-N 1 0 228.339 3.228 10 30 BGEERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000104434526 168399572 /nfs/dbraw/zinc/39/95/72/168399572.db2.gz JOYJZHMPVSHNHF-GFCCVEGCSA-N 1 0 230.355 3.473 10 30 BGEERO CCCCCCCN(CC[NH3+])Cc1ccccc1 ZINC000104783353 520051665 /nfs/dbraw/zinc/05/16/65/520051665.db2.gz JNKHUKAQOSACEZ-UHFFFAOYSA-N 1 0 248.414 3.418 10 30 BGEERO C=C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=C ZINC000104832045 187353727 /nfs/dbraw/zinc/35/37/27/187353727.db2.gz BLRVIPZXWFRLNS-OAHLLOKOSA-N 1 0 213.324 3.251 10 30 BGEERO C=CCn1c(C)[nH+]c(C2CCCCC2)c1N ZINC000105032801 188052427 /nfs/dbraw/zinc/05/24/27/188052427.db2.gz CEUVRWMLBSAKMD-UHFFFAOYSA-N 1 0 219.332 3.007 10 30 BGEERO C=CCn1c(N)c(C)[nH+]c1C1CCCCC1 ZINC000105032866 187363831 /nfs/dbraw/zinc/36/38/31/187363831.db2.gz UGBDIQRDLIODDR-UHFFFAOYSA-N 1 0 219.332 3.007 10 30 BGEERO CCCCCCCCCOCC(C)(C)[NH3+] ZINC000105533083 168650905 /nfs/dbraw/zinc/65/09/05/168650905.db2.gz OQAAGGCRYSWQFR-UHFFFAOYSA-N 1 0 215.381 3.491 10 30 BGEERO CCCCCCCCCC[NH2+]CC(OC)OC ZINC000105837356 368463911 /nfs/dbraw/zinc/46/39/11/368463911.db2.gz BHVKHXVPZBVMJZ-UHFFFAOYSA-N 1 0 245.407 3.336 10 30 BGEERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000106233621 177193306 /nfs/dbraw/zinc/19/33/06/177193306.db2.gz NSQGGSOARDJYSP-YEORSEQZSA-N 1 0 246.329 3.366 10 30 BGEERO C[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000106233630 177193160 /nfs/dbraw/zinc/19/31/60/177193160.db2.gz STVOYPRCYBUVRK-YEORSEQZSA-N 1 0 246.329 3.366 10 30 BGEERO CCCCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000107205914 588341948 /nfs/dbraw/zinc/34/19/48/588341948.db2.gz QHZDAJHRUHTCJR-CQSZACIVSA-N 1 0 227.392 3.194 10 30 BGEERO CCCCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000107205919 588342102 /nfs/dbraw/zinc/34/21/02/588342102.db2.gz QHZDAJHRUHTCJR-AWEZNQCLSA-N 1 0 227.392 3.194 10 30 BGEERO CCCCCCC[C@@H](COCCC)[NH2+]C ZINC000107557515 168656206 /nfs/dbraw/zinc/65/62/06/168656206.db2.gz FTKJNDPOZUCUDC-ZDUSSCGKSA-N 1 0 215.381 3.362 10 30 BGEERO CCCCCCC[C@H](COCCC)[NH2+]C ZINC000107557519 168658040 /nfs/dbraw/zinc/65/80/40/168658040.db2.gz FTKJNDPOZUCUDC-CYBMUJFWSA-N 1 0 215.381 3.362 10 30 BGEERO CCCCCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000108582527 588476894 /nfs/dbraw/zinc/47/68/94/588476894.db2.gz AGXJFFOSAQADSK-CHWSQXEVSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000108582530 588476936 /nfs/dbraw/zinc/47/69/36/588476936.db2.gz AGXJFFOSAQADSK-OLZOCXBDSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000108582532 588477010 /nfs/dbraw/zinc/47/70/10/588477010.db2.gz AGXJFFOSAQADSK-QWHCGFSZSA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000108582535 588476868 /nfs/dbraw/zinc/47/68/68/588476868.db2.gz AGXJFFOSAQADSK-STQMWFEESA-N 1 0 208.349 3.239 10 30 BGEERO CCCCCCCCOCCC[N+](C)(C)C ZINC000111408595 717147990 /nfs/dbraw/zinc/14/79/90/717147990.db2.gz SGOMBWDBOLBWEA-UHFFFAOYSA-N 1 0 230.416 3.460 10 30 BGEERO C=CCC([NH3+])(c1ccccc1)c1ccccc1 ZINC000111869994 383884223 /nfs/dbraw/zinc/88/42/23/383884223.db2.gz UCQGGAFNVOYFAD-UHFFFAOYSA-N 1 0 223.319 3.465 10 30 BGEERO C#CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000113272769 588828661 /nfs/dbraw/zinc/82/86/61/588828661.db2.gz VZMSUFGKURFIRR-NSHDSACASA-N 1 0 221.731 3.356 10 30 BGEERO C#CCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000113272771 588828631 /nfs/dbraw/zinc/82/86/31/588828631.db2.gz VZMSUFGKURFIRR-LLVKDONJSA-N 1 0 221.731 3.356 10 30 BGEERO C#CCCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000113314467 588831043 /nfs/dbraw/zinc/83/10/43/588831043.db2.gz QIAMEABHZOIGDZ-CQSZACIVSA-N 1 0 245.366 3.223 10 30 BGEERO C#CCCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000113314469 588831142 /nfs/dbraw/zinc/83/11/42/588831142.db2.gz QIAMEABHZOIGDZ-AWEZNQCLSA-N 1 0 245.366 3.223 10 30 BGEERO CCC(C#N)(CC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000113535020 368893692 /nfs/dbraw/zinc/89/36/92/368893692.db2.gz CDCKVZCZGIFBGA-LLVKDONJSA-N 1 0 216.328 3.288 10 30 BGEERO CCC(C#N)(CC)c1ccc([C@H](C)[NH3+])cc1 ZINC000113535021 368893661 /nfs/dbraw/zinc/89/36/61/368893661.db2.gz CDCKVZCZGIFBGA-NSHDSACASA-N 1 0 216.328 3.288 10 30 BGEERO CCCCCCCCC[NH2+]CC(C)(C)O ZINC000114499845 588874816 /nfs/dbraw/zinc/87/48/16/588874816.db2.gz GNXLUGFNIKNPGB-UHFFFAOYSA-N 1 0 215.381 3.098 10 30 BGEERO CCCCCCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000115065873 588905409 /nfs/dbraw/zinc/90/54/09/588905409.db2.gz VEFZGEFSVGZBDB-NSHDSACASA-N 1 0 239.363 3.035 10 30 BGEERO CCCCCCCCc1nc([C@H](C)C[NH3+])no1 ZINC000115065875 583137221 /nfs/dbraw/zinc/13/72/21/583137221.db2.gz VEFZGEFSVGZBDB-LLVKDONJSA-N 1 0 239.363 3.035 10 30 BGEERO N#CCCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116287683 134217124 /nfs/dbraw/zinc/21/71/24/134217124.db2.gz GWRGQWNJDGMOTG-LBPRGKRZSA-N 1 0 218.300 3.110 10 30 BGEERO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116287686 134216981 /nfs/dbraw/zinc/21/69/81/134216981.db2.gz GWRGQWNJDGMOTG-GFCCVEGCSA-N 1 0 218.300 3.110 10 30 BGEERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000116387717 323205184 /nfs/dbraw/zinc/20/51/84/323205184.db2.gz VELMRSLWYWWOTQ-BZUAXINKSA-N 1 0 242.366 3.290 10 30 BGEERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000116387723 323205196 /nfs/dbraw/zinc/20/51/96/323205196.db2.gz VELMRSLWYWWOTQ-OAGGEKHMSA-N 1 0 242.366 3.290 10 30 BGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000118397629 177273596 /nfs/dbraw/zinc/27/35/96/177273596.db2.gz UBZZWUNWPOMSIN-RYUDHWBXSA-N 1 0 246.379 3.057 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000120768162 490068777 /nfs/dbraw/zinc/06/87/77/490068777.db2.gz ZQTHBSVIFLZDAA-VIFPVBQESA-N 1 0 211.255 3.192 10 30 BGEERO C=C(C)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000120768331 490068341 /nfs/dbraw/zinc/06/83/41/490068341.db2.gz ZQTHBSVIFLZDAA-SECBINFHSA-N 1 0 211.255 3.192 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000121008853 134640616 /nfs/dbraw/zinc/64/06/16/134640616.db2.gz YYTOSBONHGBKLX-KBPBESRZSA-N 1 0 241.338 3.089 10 30 BGEERO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000121200579 490078804 /nfs/dbraw/zinc/07/88/04/490078804.db2.gz YQBDRQVBJGHBBM-CZUORRHYSA-N 1 0 247.382 3.227 10 30 BGEERO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000121200753 490078683 /nfs/dbraw/zinc/07/86/83/490078683.db2.gz YQBDRQVBJGHBBM-XJKSGUPXSA-N 1 0 247.382 3.227 10 30 BGEERO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000121200894 490078979 /nfs/dbraw/zinc/07/89/79/490078979.db2.gz YQBDRQVBJGHBBM-CJNGLKHVSA-N 1 0 247.382 3.227 10 30 BGEERO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000121201039 490078598 /nfs/dbraw/zinc/07/85/98/490078598.db2.gz YQBDRQVBJGHBBM-BBRMVZONSA-N 1 0 247.382 3.227 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000124297394 358516165 /nfs/dbraw/zinc/51/61/65/358516165.db2.gz WNDMHKMACPTDOK-NXEZZACHSA-N 1 0 234.265 3.001 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000124297605 134606167 /nfs/dbraw/zinc/60/61/67/134606167.db2.gz WNDMHKMACPTDOK-VHSXEESVSA-N 1 0 234.265 3.001 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000124297849 358515706 /nfs/dbraw/zinc/51/57/06/358515706.db2.gz WNDMHKMACPTDOK-ZJUUUORDSA-N 1 0 234.265 3.001 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000124298064 358515700 /nfs/dbraw/zinc/51/57/00/358515700.db2.gz WNDMHKMACPTDOK-UWVGGRQHSA-N 1 0 234.265 3.001 10 30 BGEERO CCCCCCCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000124324491 589976389 /nfs/dbraw/zinc/97/63/89/589976389.db2.gz NOTFDTVNXGGLFC-OAHLLOKOSA-N 1 0 241.419 3.441 10 30 BGEERO CCCCCCCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000124324775 589976593 /nfs/dbraw/zinc/97/65/93/589976593.db2.gz NOTFDTVNXGGLFC-HNNXBMFYSA-N 1 0 241.419 3.441 10 30 BGEERO C=CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124613326 386657840 /nfs/dbraw/zinc/65/78/40/386657840.db2.gz SVLWEXSQWZVSAG-LBPRGKRZSA-N 1 0 205.301 3.301 10 30 BGEERO CC#CC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124676217 358522698 /nfs/dbraw/zinc/52/26/98/358522698.db2.gz MQIHDBBRCMVGHP-CYBMUJFWSA-N 1 0 217.312 3.138 10 30 BGEERO CC#CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124676427 358522738 /nfs/dbraw/zinc/52/27/38/358522738.db2.gz MQIHDBBRCMVGHP-ZDUSSCGKSA-N 1 0 217.312 3.138 10 30 BGEERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCC#N)o1 ZINC000124738041 345050489 /nfs/dbraw/zinc/05/04/89/345050489.db2.gz AHIHGWHPWGHDRH-ZDUSSCGKSA-N 1 0 232.327 3.419 10 30 BGEERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCC#N)o1 ZINC000124738244 345050815 /nfs/dbraw/zinc/05/08/15/345050815.db2.gz AHIHGWHPWGHDRH-CYBMUJFWSA-N 1 0 232.327 3.419 10 30 BGEERO C=CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000125262848 388670306 /nfs/dbraw/zinc/67/03/06/388670306.db2.gz RDZZWHLOTVJISZ-AWEZNQCLSA-N 1 0 215.340 3.476 10 30 BGEERO C=CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000125263071 388671163 /nfs/dbraw/zinc/67/11/63/388671163.db2.gz RDZZWHLOTVJISZ-CQSZACIVSA-N 1 0 215.340 3.476 10 30 BGEERO C=C(C)COCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000125770967 388676544 /nfs/dbraw/zinc/67/65/44/388676544.db2.gz MJKOLCYJJQHFDM-KGLIPLIRSA-N 1 0 239.403 3.384 10 30 BGEERO C=C(C)COCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000125771205 324652856 /nfs/dbraw/zinc/65/28/56/324652856.db2.gz MJKOLCYJJQHFDM-KBPBESRZSA-N 1 0 239.403 3.384 10 30 BGEERO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000125771417 388677293 /nfs/dbraw/zinc/67/72/93/388677293.db2.gz MJKOLCYJJQHFDM-ZIAGYGMSSA-N 1 0 239.403 3.384 10 30 BGEERO C=C(C)COCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000125771663 324652798 /nfs/dbraw/zinc/65/27/98/324652798.db2.gz MJKOLCYJJQHFDM-UONOGXRCSA-N 1 0 239.403 3.384 10 30 BGEERO CC#CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000126240083 388692526 /nfs/dbraw/zinc/69/25/26/388692526.db2.gz JSJONJHIPGLNJD-ZDUSSCGKSA-N 1 0 215.340 3.484 10 30 BGEERO CC#CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000126240252 388692023 /nfs/dbraw/zinc/69/20/23/388692023.db2.gz JSJONJHIPGLNJD-CYBMUJFWSA-N 1 0 215.340 3.484 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000126870145 134610305 /nfs/dbraw/zinc/61/03/05/134610305.db2.gz RKBJWUPDYVFPNW-WCQYABFASA-N 1 0 217.312 3.064 10 30 BGEERO C#CCCCC[NH2+]CC1CCC(C)CC1 ZINC000127351434 590624862 /nfs/dbraw/zinc/62/48/62/590624862.db2.gz WLOWGYNULQYUGF-UHFFFAOYSA-N 1 0 207.361 3.206 10 30 BGEERO CCCC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127394028 168874309 /nfs/dbraw/zinc/87/43/09/168874309.db2.gz XEMLGGWCWFXLJH-VIFPVBQESA-N 1 0 208.330 3.070 10 30 BGEERO CCC(CC)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127394970 168391382 /nfs/dbraw/zinc/39/13/82/168391382.db2.gz WNUGBZVWACYDML-VIFPVBQESA-N 1 0 222.357 3.459 10 30 BGEERO CCC(CC)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127395186 168392291 /nfs/dbraw/zinc/39/22/91/168392291.db2.gz WNUGBZVWACYDML-SECBINFHSA-N 1 0 222.357 3.459 10 30 BGEERO CC(C)CC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127395913 166863401 /nfs/dbraw/zinc/86/34/01/166863401.db2.gz KCWQVJDXLJMYMN-JTQLQIEISA-N 1 0 222.357 3.316 10 30 BGEERO CC(C)CC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127396142 166865310 /nfs/dbraw/zinc/86/53/10/166865310.db2.gz KCWQVJDXLJMYMN-SNVBAGLBSA-N 1 0 222.357 3.316 10 30 BGEERO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127400516 171346537 /nfs/dbraw/zinc/34/65/37/171346537.db2.gz PNPRIWZYAKKNAI-IUCAKERBSA-N 1 0 208.330 3.069 10 30 BGEERO CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127400935 171347653 /nfs/dbraw/zinc/34/76/53/171347653.db2.gz PNPRIWZYAKKNAI-DTWKUNHWSA-N 1 0 208.330 3.069 10 30 BGEERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127404447 167384479 /nfs/dbraw/zinc/38/44/79/167384479.db2.gz WKYFJYWQTWIXKS-ZJUUUORDSA-N 1 0 222.357 3.315 10 30 BGEERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127404909 167384997 /nfs/dbraw/zinc/38/49/97/167384997.db2.gz WKYFJYWQTWIXKS-NXEZZACHSA-N 1 0 222.357 3.315 10 30 BGEERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127405122 188317412 /nfs/dbraw/zinc/31/74/12/188317412.db2.gz WKYFJYWQTWIXKS-VHSXEESVSA-N 1 0 222.357 3.315 10 30 BGEERO C#CCC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000127775363 344648579 /nfs/dbraw/zinc/64/85/79/344648579.db2.gz IEHMNWIUIMKPGP-JTQLQIEISA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000127775629 344648876 /nfs/dbraw/zinc/64/88/76/344648876.db2.gz IEHMNWIUIMKPGP-SNVBAGLBSA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000127786502 344651169 /nfs/dbraw/zinc/65/11/69/344651169.db2.gz QCOGQYBBYKHARO-NSHDSACASA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000127786706 385929904 /nfs/dbraw/zinc/92/99/04/385929904.db2.gz QCOGQYBBYKHARO-LLVKDONJSA-N 1 0 228.122 3.407 10 30 BGEERO C#CC[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127821329 385930262 /nfs/dbraw/zinc/93/02/62/385930262.db2.gz MLDDFUKUWNTRHB-GFCCVEGCSA-N 1 0 248.395 3.079 10 30 BGEERO C#CC[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127821544 353276618 /nfs/dbraw/zinc/27/66/18/353276618.db2.gz MLDDFUKUWNTRHB-LBPRGKRZSA-N 1 0 248.395 3.079 10 30 BGEERO C#CCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000127868191 344670346 /nfs/dbraw/zinc/67/03/46/344670346.db2.gz IYKZBWXIJCHRGW-NSHDSACASA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000127868375 344670081 /nfs/dbraw/zinc/67/00/81/344670081.db2.gz IYKZBWXIJCHRGW-LLVKDONJSA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000127954590 353280046 /nfs/dbraw/zinc/28/00/46/353280046.db2.gz GSHQHRQSJFDCTH-JTQLQIEISA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000127954813 353279994 /nfs/dbraw/zinc/27/99/94/353279994.db2.gz GSHQHRQSJFDCTH-SNVBAGLBSA-N 1 0 228.122 3.407 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000128977303 350950743 /nfs/dbraw/zinc/95/07/43/350950743.db2.gz DXYNSXSLBFRODQ-VIFPVBQESA-N 1 0 215.218 3.070 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000128977504 350950702 /nfs/dbraw/zinc/95/07/02/350950702.db2.gz DXYNSXSLBFRODQ-SECBINFHSA-N 1 0 215.218 3.070 10 30 BGEERO CC1(C)CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000128979543 350951159 /nfs/dbraw/zinc/95/11/59/350951159.db2.gz UVHHZENELDXWKI-FRRDWIJNSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000128980008 350951258 /nfs/dbraw/zinc/95/12/58/350951258.db2.gz UVHHZENELDXWKI-AGIUHOORSA-N 1 0 220.360 3.237 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(Cl)s1 ZINC000128989686 350955467 /nfs/dbraw/zinc/95/54/67/350955467.db2.gz VEEZLQADYQIPJU-ZETCQYMHSA-N 1 0 201.722 3.368 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000128989914 350955673 /nfs/dbraw/zinc/95/56/73/350955673.db2.gz VEEZLQADYQIPJU-SSDOTTSWSA-N 1 0 201.722 3.368 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(Cl)ccc1OC ZINC000128995794 350962891 /nfs/dbraw/zinc/96/28/91/350962891.db2.gz FVFADVTZGRTFEC-LLVKDONJSA-N 1 0 225.719 3.315 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(Cl)ccc1OC ZINC000128996051 350962407 /nfs/dbraw/zinc/96/24/07/350962407.db2.gz FVFADVTZGRTFEC-NSHDSACASA-N 1 0 225.719 3.315 10 30 BGEERO C=CCC[C@H]([NH3+])c1c(F)cccc1Cl ZINC000129016601 350962235 /nfs/dbraw/zinc/96/22/35/350962235.db2.gz YCOFBLHCDPAVQY-JTQLQIEISA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000129016878 350962251 /nfs/dbraw/zinc/96/22/51/350962251.db2.gz YCOFBLHCDPAVQY-SNVBAGLBSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1cccc(F)c1Cl ZINC000129049666 350975535 /nfs/dbraw/zinc/97/55/35/350975535.db2.gz LEKZPZXNWMWHQH-JTQLQIEISA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000129049854 344209842 /nfs/dbraw/zinc/20/98/42/344209842.db2.gz LEKZPZXNWMWHQH-SNVBAGLBSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(Br)o1 ZINC000129069768 350978009 /nfs/dbraw/zinc/97/80/09/350978009.db2.gz GZDXWNRPTKMGON-ZETCQYMHSA-N 1 0 230.105 3.008 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000129069948 350977873 /nfs/dbraw/zinc/97/78/73/350977873.db2.gz GZDXWNRPTKMGON-SSDOTTSWSA-N 1 0 230.105 3.008 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000129070171 350978063 /nfs/dbraw/zinc/97/80/63/350978063.db2.gz NQBYDKGKFQQDDZ-CYBMUJFWSA-N 1 0 205.301 3.051 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000129070364 344210411 /nfs/dbraw/zinc/21/04/11/344210411.db2.gz NQBYDKGKFQQDDZ-ZDUSSCGKSA-N 1 0 205.301 3.051 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccccc1OC(F)F ZINC000129080739 350981763 /nfs/dbraw/zinc/98/17/63/350981763.db2.gz FHUFIVUCLAOLJE-JTQLQIEISA-N 1 0 227.254 3.254 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000129080930 350981727 /nfs/dbraw/zinc/98/17/27/350981727.db2.gz FHUFIVUCLAOLJE-SNVBAGLBSA-N 1 0 227.254 3.254 10 30 BGEERO C=CCC[C@H]([NH3+])c1sccc1Cl ZINC000129089937 350979608 /nfs/dbraw/zinc/97/96/08/350979608.db2.gz AAYXXGOBEYMSLX-QMMMGPOBSA-N 1 0 201.722 3.368 10 30 BGEERO C=CCC[C@@H]([NH3+])c1sccc1Cl ZINC000129090193 350979727 /nfs/dbraw/zinc/97/97/27/350979727.db2.gz AAYXXGOBEYMSLX-MRVPVSSYSA-N 1 0 201.722 3.368 10 30 BGEERO C=CCC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000129101499 350986970 /nfs/dbraw/zinc/98/69/70/350986970.db2.gz JQCYXSGKVHHLFC-JTQLQIEISA-N 1 0 215.218 3.070 10 30 BGEERO C=CCC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000129101699 350986742 /nfs/dbraw/zinc/98/67/42/350986742.db2.gz JQCYXSGKVHHLFC-SNVBAGLBSA-N 1 0 215.218 3.070 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(SC)cc1 ZINC000129106674 350988885 /nfs/dbraw/zinc/98/88/85/350988885.db2.gz WTEZQVFTCDJZJR-GFCCVEGCSA-N 1 0 207.342 3.375 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(SC)cc1 ZINC000129106875 344210796 /nfs/dbraw/zinc/21/07/96/344210796.db2.gz WTEZQVFTCDJZJR-LBPRGKRZSA-N 1 0 207.342 3.375 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000129108393 350989067 /nfs/dbraw/zinc/98/90/67/350989067.db2.gz AGGIXBYUEJKXDU-NSHDSACASA-N 1 0 227.254 3.254 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000129108632 350989035 /nfs/dbraw/zinc/98/90/35/350989035.db2.gz AGGIXBYUEJKXDU-LLVKDONJSA-N 1 0 227.254 3.254 10 30 BGEERO C=CCC[C@@H]([NH3+])c1c(F)ccc(C)c1F ZINC000129121984 350988331 /nfs/dbraw/zinc/98/83/31/350988331.db2.gz BJCNDOVQOMTUON-SNVBAGLBSA-N 1 0 211.255 3.239 10 30 BGEERO C=CCC[C@H]([NH3+])c1c(F)ccc(C)c1F ZINC000129122224 350988496 /nfs/dbraw/zinc/98/84/96/350988496.db2.gz BJCNDOVQOMTUON-JTQLQIEISA-N 1 0 211.255 3.239 10 30 BGEERO C=CCC[C@H]([NH3+])c1sccc1Br ZINC000129134362 350996298 /nfs/dbraw/zinc/99/62/98/350996298.db2.gz WLPITTMJWMOOSD-QMMMGPOBSA-N 1 0 246.173 3.477 10 30 BGEERO C=CCC[C@@H]([NH3+])c1sccc1Br ZINC000129134595 350996660 /nfs/dbraw/zinc/99/66/60/350996660.db2.gz WLPITTMJWMOOSD-MRVPVSSYSA-N 1 0 246.173 3.477 10 30 BGEERO C=CCC[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000129135723 350996254 /nfs/dbraw/zinc/99/62/54/350996254.db2.gz NNASFIGDJBZYDI-NSHDSACASA-N 1 0 227.254 3.254 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000129135930 350996620 /nfs/dbraw/zinc/99/66/20/350996620.db2.gz NNASFIGDJBZYDI-LLVKDONJSA-N 1 0 227.254 3.254 10 30 BGEERO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000130002435 357130721 /nfs/dbraw/zinc/13/07/21/357130721.db2.gz PWTWYDAIBOTFAX-VXGBXAGGSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000130002653 357130990 /nfs/dbraw/zinc/13/09/90/357130990.db2.gz PWTWYDAIBOTFAX-NEPJUHHUSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000130002843 357131129 /nfs/dbraw/zinc/13/11/29/357131129.db2.gz PWTWYDAIBOTFAX-NWDGAFQWSA-N 1 0 208.349 3.095 10 30 BGEERO CCC(CC)C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000130326361 359519214 /nfs/dbraw/zinc/51/92/14/359519214.db2.gz ZOQPEVCOZZOGGM-OLZOCXBDSA-N 1 0 208.349 3.095 10 30 BGEERO CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000130326560 359519179 /nfs/dbraw/zinc/51/91/79/359519179.db2.gz ZOQPEVCOZZOGGM-QWHCGFSZSA-N 1 0 208.349 3.095 10 30 BGEERO CCC(CC)C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000130326799 359519308 /nfs/dbraw/zinc/51/93/08/359519308.db2.gz ZOQPEVCOZZOGGM-STQMWFEESA-N 1 0 208.349 3.095 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000130519140 325062483 /nfs/dbraw/zinc/06/24/83/325062483.db2.gz DRZFWVZJTFZGSO-XJKSGUPXSA-N 1 0 229.367 3.488 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000130519307 325062474 /nfs/dbraw/zinc/06/24/74/325062474.db2.gz DRZFWVZJTFZGSO-CZUORRHYSA-N 1 0 229.367 3.488 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000130519523 325062430 /nfs/dbraw/zinc/06/24/30/325062430.db2.gz DRZFWVZJTFZGSO-BBRMVZONSA-N 1 0 229.367 3.488 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000130519748 325061920 /nfs/dbraw/zinc/06/19/20/325061920.db2.gz DRZFWVZJTFZGSO-CJNGLKHVSA-N 1 0 229.367 3.488 10 30 BGEERO C=C[C@@H]([NH2+]C)c1ccc(Br)cc1C ZINC000130522673 353353887 /nfs/dbraw/zinc/35/38/87/353353887.db2.gz GGBJYTXTNNAOTN-LLVKDONJSA-N 1 0 240.144 3.204 10 30 BGEERO C=C[C@H]([NH2+]C)c1ccc(Br)cc1C ZINC000130522860 363121066 /nfs/dbraw/zinc/12/10/66/363121066.db2.gz GGBJYTXTNNAOTN-NSHDSACASA-N 1 0 240.144 3.204 10 30 BGEERO C=C[C@H]([NH2+]C)c1ccc(Br)c(F)c1 ZINC000130523564 363159783 /nfs/dbraw/zinc/15/97/83/363159783.db2.gz LUPGFZMDDLFCKP-JTQLQIEISA-N 1 0 244.107 3.035 10 30 BGEERO C=C[C@@H]([NH2+]C)c1ccc(Br)c(F)c1 ZINC000130523767 363161867 /nfs/dbraw/zinc/16/18/67/363161867.db2.gz LUPGFZMDDLFCKP-SNVBAGLBSA-N 1 0 244.107 3.035 10 30 BGEERO C=C[C@@H]([NH2+]C)c1cccc(Br)c1C ZINC000130523956 363161275 /nfs/dbraw/zinc/16/12/75/363161275.db2.gz YEUNNPOHRKTJPF-LLVKDONJSA-N 1 0 240.144 3.204 10 30 BGEERO C=C[C@H]([NH2+]C)c1cccc(Br)c1C ZINC000130524144 398096795 /nfs/dbraw/zinc/09/67/95/398096795.db2.gz YEUNNPOHRKTJPF-NSHDSACASA-N 1 0 240.144 3.204 10 30 BGEERO C=C[C@@H]([NH2+]C)c1cc(C)cc(Br)c1 ZINC000130531933 363171096 /nfs/dbraw/zinc/17/10/96/363171096.db2.gz JSSYZNFEIGDYGA-LLVKDONJSA-N 1 0 240.144 3.204 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000130531976 134619981 /nfs/dbraw/zinc/61/99/81/134619981.db2.gz MVMVFMMPIMSRJQ-HOCLYGCPSA-N 1 0 246.398 3.234 10 30 BGEERO C=C[C@H]([NH2+]C)c1cc(C)cc(Br)c1 ZINC000130532145 363171069 /nfs/dbraw/zinc/17/10/69/363171069.db2.gz JSSYZNFEIGDYGA-NSHDSACASA-N 1 0 240.144 3.204 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000130532180 358631274 /nfs/dbraw/zinc/63/12/74/358631274.db2.gz MVMVFMMPIMSRJQ-ZBFHGGJFSA-N 1 0 246.398 3.234 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000130532356 358631068 /nfs/dbraw/zinc/63/10/68/358631068.db2.gz MVMVFMMPIMSRJQ-GOEBONIOSA-N 1 0 246.398 3.234 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000130532596 353350403 /nfs/dbraw/zinc/35/04/03/353350403.db2.gz MVMVFMMPIMSRJQ-GDBMZVCRSA-N 1 0 246.398 3.234 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000130830389 369093930 /nfs/dbraw/zinc/09/39/30/369093930.db2.gz IXIUPNNDRZTLIQ-VIFPVBQESA-N 1 0 215.218 3.070 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000130830601 369094055 /nfs/dbraw/zinc/09/40/55/369094055.db2.gz IXIUPNNDRZTLIQ-SECBINFHSA-N 1 0 215.218 3.070 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000130842198 369116822 /nfs/dbraw/zinc/11/68/22/369116822.db2.gz LRCDINSYBYPUJF-ZETCQYMHSA-N 1 0 201.722 3.368 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000130842419 369117067 /nfs/dbraw/zinc/11/70/67/369117067.db2.gz LRCDINSYBYPUJF-SSDOTTSWSA-N 1 0 201.722 3.368 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(Cl)ccc1OC ZINC000130848178 369118438 /nfs/dbraw/zinc/11/84/38/369118438.db2.gz SGUIBPYKKDAPQL-NSHDSACASA-N 1 0 225.719 3.315 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(Cl)ccc1OC ZINC000130848419 369118660 /nfs/dbraw/zinc/11/86/60/369118660.db2.gz SGUIBPYKKDAPQL-LLVKDONJSA-N 1 0 225.719 3.315 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1c(F)cccc1Cl ZINC000130868871 369121285 /nfs/dbraw/zinc/12/12/85/369121285.db2.gz JRXNRFTWWBLVCD-JTQLQIEISA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000130869078 369121208 /nfs/dbraw/zinc/12/12/08/369121208.db2.gz JRXNRFTWWBLVCD-SNVBAGLBSA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cccc(F)c1Cl ZINC000130902195 370082133 /nfs/dbraw/zinc/08/21/33/370082133.db2.gz NPYNGIYRIIVNFH-JTQLQIEISA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000130902406 370082182 /nfs/dbraw/zinc/08/21/82/370082182.db2.gz NPYNGIYRIIVNFH-SNVBAGLBSA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(Br)o1 ZINC000130921417 370359413 /nfs/dbraw/zinc/35/94/13/370359413.db2.gz BYRBUJDEPBWOSD-ZETCQYMHSA-N 1 0 230.105 3.008 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(Br)o1 ZINC000130921614 370359927 /nfs/dbraw/zinc/35/99/27/370359927.db2.gz BYRBUJDEPBWOSD-SSDOTTSWSA-N 1 0 230.105 3.008 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000130921847 370360024 /nfs/dbraw/zinc/36/00/24/370360024.db2.gz VZMXMBGYEXCNCX-CYBMUJFWSA-N 1 0 205.301 3.051 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000130922051 344227302 /nfs/dbraw/zinc/22/73/02/344227302.db2.gz VZMXMBGYEXCNCX-ZDUSSCGKSA-N 1 0 205.301 3.051 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccccc1OC(F)F ZINC000130931553 370389260 /nfs/dbraw/zinc/38/92/60/370389260.db2.gz IYRKOTPALLVQED-JTQLQIEISA-N 1 0 227.254 3.254 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000130931787 370388687 /nfs/dbraw/zinc/38/86/87/370388687.db2.gz IYRKOTPALLVQED-SNVBAGLBSA-N 1 0 227.254 3.254 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1sccc1Cl ZINC000130940745 370412027 /nfs/dbraw/zinc/41/20/27/370412027.db2.gz IKWVACMWQUDXCH-QMMMGPOBSA-N 1 0 201.722 3.368 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1sccc1Cl ZINC000130940980 370411783 /nfs/dbraw/zinc/41/17/83/370411783.db2.gz IKWVACMWQUDXCH-MRVPVSSYSA-N 1 0 201.722 3.368 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000130951617 370438093 /nfs/dbraw/zinc/43/80/93/370438093.db2.gz NEIWKCZKGUABDT-JTQLQIEISA-N 1 0 215.218 3.070 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000130951808 370437734 /nfs/dbraw/zinc/43/77/34/370437734.db2.gz NEIWKCZKGUABDT-SNVBAGLBSA-N 1 0 215.218 3.070 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(SC)cc1 ZINC000130956859 370473672 /nfs/dbraw/zinc/47/36/72/370473672.db2.gz YOUZIRPVNZLKLL-LBPRGKRZSA-N 1 0 207.342 3.375 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(SC)cc1 ZINC000130957037 370473175 /nfs/dbraw/zinc/47/31/75/370473175.db2.gz YOUZIRPVNZLKLL-GFCCVEGCSA-N 1 0 207.342 3.375 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000130958609 370479225 /nfs/dbraw/zinc/47/92/25/370479225.db2.gz QNKOPHPOHGADSK-NSHDSACASA-N 1 0 227.254 3.254 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000130958812 370472645 /nfs/dbraw/zinc/47/26/45/370472645.db2.gz QNKOPHPOHGADSK-LLVKDONJSA-N 1 0 227.254 3.254 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1c(F)ccc(C)c1F ZINC000130971526 388679331 /nfs/dbraw/zinc/67/93/31/388679331.db2.gz NLWPJEGYLMHWEU-SNVBAGLBSA-N 1 0 211.255 3.239 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1c(F)ccc(C)c1F ZINC000130971745 388679382 /nfs/dbraw/zinc/67/93/82/388679382.db2.gz NLWPJEGYLMHWEU-JTQLQIEISA-N 1 0 211.255 3.239 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1sccc1Br ZINC000130984079 370598960 /nfs/dbraw/zinc/59/89/60/370598960.db2.gz GCJGJTPLHXHNGH-QMMMGPOBSA-N 1 0 246.173 3.477 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1sccc1Br ZINC000130984312 353362833 /nfs/dbraw/zinc/36/28/33/353362833.db2.gz GCJGJTPLHXHNGH-MRVPVSSYSA-N 1 0 246.173 3.477 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000130985418 370603624 /nfs/dbraw/zinc/60/36/24/370603624.db2.gz VKLZPGKEOKWCRO-NSHDSACASA-N 1 0 227.254 3.254 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000130985620 353362137 /nfs/dbraw/zinc/36/21/37/353362137.db2.gz VKLZPGKEOKWCRO-LLVKDONJSA-N 1 0 227.254 3.254 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000131183469 371567338 /nfs/dbraw/zinc/56/73/38/371567338.db2.gz SKXVYYFRQDBQME-FVQBIDKESA-N 1 0 242.366 3.462 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)c1ccccc1 ZINC000131183905 371567153 /nfs/dbraw/zinc/56/71/53/371567153.db2.gz SKXVYYFRQDBQME-BMFZPTHFSA-N 1 0 242.366 3.462 10 30 BGEERO C=C(C)[C@H]([NH2+]C)c1cccc(F)c1Cl ZINC000131238463 371575141 /nfs/dbraw/zinc/57/51/41/371575141.db2.gz ROJZLLHGYRDHGP-NSHDSACASA-N 1 0 213.683 3.316 10 30 BGEERO C=C(C)[C@@H]([NH2+]C)c1cccc(F)c1Cl ZINC000131238674 371574483 /nfs/dbraw/zinc/57/44/83/371574483.db2.gz ROJZLLHGYRDHGP-LLVKDONJSA-N 1 0 213.683 3.316 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000131313505 371585569 /nfs/dbraw/zinc/58/55/69/371585569.db2.gz UDAFMLCWMIODNU-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(Br)cc1C ZINC000131313705 353372952 /nfs/dbraw/zinc/37/29/52/353372952.db2.gz UDAFMLCWMIODNU-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000131353425 353373910 /nfs/dbraw/zinc/37/39/10/353373910.db2.gz CHCWVTJVPCRHNF-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000131353627 371593759 /nfs/dbraw/zinc/59/37/59/371593759.db2.gz CHCWVTJVPCRHNF-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000131358655 371596195 /nfs/dbraw/zinc/59/61/95/371596195.db2.gz WTMBKIVECGXMFG-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000131358845 371596259 /nfs/dbraw/zinc/59/62/59/371596259.db2.gz WTMBKIVECGXMFG-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cccc(Br)c1C ZINC000131414098 353368407 /nfs/dbraw/zinc/36/84/07/353368407.db2.gz YMUAMNLQORLCHT-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cccc(Br)c1C ZINC000131414301 350915721 /nfs/dbraw/zinc/91/57/21/350915721.db2.gz YMUAMNLQORLCHT-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(F)cc1Br ZINC000131447744 353367951 /nfs/dbraw/zinc/36/79/51/353367951.db2.gz WRWCZBKCZFUGFB-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000131447927 371605844 /nfs/dbraw/zinc/60/58/44/371605844.db2.gz WRWCZBKCZFUGFB-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cc(F)ccc1Br ZINC000131455254 371607598 /nfs/dbraw/zinc/60/75/98/371607598.db2.gz RIXFZYAFJITGJV-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000131455442 371608332 /nfs/dbraw/zinc/60/83/32/371608332.db2.gz RIXFZYAFJITGJV-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(C)c(Br)s1 ZINC000131460974 371608844 /nfs/dbraw/zinc/60/88/44/371608844.db2.gz SFNYGOPIDLHKSG-MRVPVSSYSA-N 1 0 246.173 3.395 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cc(C)c(Br)s1 ZINC000131461147 371607824 /nfs/dbraw/zinc/60/78/24/371607824.db2.gz SFNYGOPIDLHKSG-QMMMGPOBSA-N 1 0 246.173 3.395 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000131461368 371608078 /nfs/dbraw/zinc/60/80/78/371608078.db2.gz PCZGWLQHKFYJDQ-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(C)cc1Br ZINC000131461561 371608143 /nfs/dbraw/zinc/60/81/43/371608143.db2.gz PCZGWLQHKFYJDQ-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cccc(F)c1Br ZINC000131466002 353368067 /nfs/dbraw/zinc/36/80/67/353368067.db2.gz MVZYHKWKELXXDE-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cccc(F)c1Br ZINC000131466206 353368172 /nfs/dbraw/zinc/36/81/72/353368172.db2.gz MVZYHKWKELXXDE-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000131468137 371608666 /nfs/dbraw/zinc/60/86/66/371608666.db2.gz NSHRWEXJXFEJIU-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000131468360 371608779 /nfs/dbraw/zinc/60/87/79/371608779.db2.gz NSHRWEXJXFEJIU-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000131481304 353368042 /nfs/dbraw/zinc/36/80/42/353368042.db2.gz CSPYCEZAASVREO-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000131481498 371610348 /nfs/dbraw/zinc/61/03/48/371610348.db2.gz CSPYCEZAASVREO-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH2+]C)c1ccc(C)c(Cl)c1 ZINC000131483372 371610700 /nfs/dbraw/zinc/61/07/00/371610700.db2.gz NYJWHMHMXFCLKP-GFCCVEGCSA-N 1 0 209.720 3.485 10 30 BGEERO C=C(C)[C@H]([NH2+]C)c1ccc(C)c(Cl)c1 ZINC000131483588 371610798 /nfs/dbraw/zinc/61/07/98/371610798.db2.gz NYJWHMHMXFCLKP-LBPRGKRZSA-N 1 0 209.720 3.485 10 30 BGEERO C=C(C)[C@H]([NH3+])c1sccc1Br ZINC000131483808 371610238 /nfs/dbraw/zinc/61/02/38/371610238.db2.gz YCWQOTXJLQPQHR-ZETCQYMHSA-N 1 0 232.146 3.087 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1sccc1Br ZINC000131484021 371609835 /nfs/dbraw/zinc/60/98/35/371609835.db2.gz YCWQOTXJLQPQHR-SSDOTTSWSA-N 1 0 232.146 3.087 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(Br)ccc1C ZINC000131492326 371608468 /nfs/dbraw/zinc/60/84/68/371608468.db2.gz UELOROZMDUKYOF-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(C)ccc1Br ZINC000131497954 371612676 /nfs/dbraw/zinc/61/26/76/371612676.db2.gz JTXUNDXZSJBSBA-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cc(C)ccc1Br ZINC000131498193 371612301 /nfs/dbraw/zinc/61/23/01/371612301.db2.gz JTXUNDXZSJBSBA-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=CCCCC[C@H](C)[NH2+]Cc1ccccn1 ZINC000131924860 491134109 /nfs/dbraw/zinc/13/41/09/491134109.db2.gz KFBHIBGCAIYZMX-ZDUSSCGKSA-N 1 0 218.344 3.306 10 30 BGEERO C=CCCCC[C@@H](C)[NH2+]Cc1ccccn1 ZINC000131925066 491134178 /nfs/dbraw/zinc/13/41/78/491134178.db2.gz KFBHIBGCAIYZMX-CYBMUJFWSA-N 1 0 218.344 3.306 10 30 BGEERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(C#N)s1 ZINC000132445417 175869529 /nfs/dbraw/zinc/86/95/29/175869529.db2.gz HIRSVTLZUKEZAO-SNVBAGLBSA-N 1 0 234.368 3.461 10 30 BGEERO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)s1 ZINC000132454429 176918426 /nfs/dbraw/zinc/91/84/26/176918426.db2.gz PZLZFOONDKGDHA-QWRGUYRKSA-N 1 0 232.352 3.379 10 30 BGEERO C[C@H]([NH2+]C1CC(C)C1)c1ccc(C#N)s1 ZINC000132459736 168146479 /nfs/dbraw/zinc/14/64/79/168146479.db2.gz CZDILBFFENPEOI-KYHHOPLUSA-N 1 0 220.341 3.069 10 30 BGEERO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(C#N)s1 ZINC000132459846 168148363 /nfs/dbraw/zinc/14/83/63/168148363.db2.gz CZDILBFFENPEOI-HWOCKDDLSA-N 1 0 220.341 3.069 10 30 BGEERO C#CCCCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000132462478 133662384 /nfs/dbraw/zinc/66/23/84/133662384.db2.gz KYTPDGYQPYNBET-LLVKDONJSA-N 1 0 232.352 3.074 10 30 BGEERO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000132462688 191033051 /nfs/dbraw/zinc/03/30/51/191033051.db2.gz KYZKLIVWXRXXIZ-CHWSQXEVSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000132462890 191103580 /nfs/dbraw/zinc/10/35/80/191103580.db2.gz KYZKLIVWXRXXIZ-OLZOCXBDSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000132463096 191032890 /nfs/dbraw/zinc/03/28/90/191032890.db2.gz KYZKLIVWXRXXIZ-QWHCGFSZSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000132463300 191032971 /nfs/dbraw/zinc/03/29/71/191032971.db2.gz KYZKLIVWXRXXIZ-STQMWFEESA-N 1 0 222.376 3.485 10 30 BGEERO C[C@@H]([NH2+]C1CCCC1)c1ccc(C#N)s1 ZINC000132655803 175860784 /nfs/dbraw/zinc/86/07/84/175860784.db2.gz QKAUCLOLBOIPAM-SECBINFHSA-N 1 0 220.341 3.213 10 30 BGEERO C=CC[NH+](CC=C)Cc1ccc2ccccc2n1 ZINC000133122811 325270010 /nfs/dbraw/zinc/27/00/10/325270010.db2.gz KZFKEPHFNVWJBS-UHFFFAOYSA-N 1 0 238.334 3.409 10 30 BGEERO C#CC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133128061 371992531 /nfs/dbraw/zinc/99/25/31/371992531.db2.gz VQSZZBBFSQFUKN-JTQLQIEISA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133128247 371993192 /nfs/dbraw/zinc/99/31/92/371993192.db2.gz VQSZZBBFSQFUKN-SNVBAGLBSA-N 1 0 214.095 3.017 10 30 BGEERO C#CCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133129285 371992950 /nfs/dbraw/zinc/99/29/50/371992950.db2.gz QXXYWIBXWGNPAL-NSHDSACASA-N 1 0 228.122 3.407 10 30 BGEERO C#CCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133129479 371992753 /nfs/dbraw/zinc/99/27/53/371992753.db2.gz QXXYWIBXWGNPAL-LLVKDONJSA-N 1 0 228.122 3.407 10 30 BGEERO C=C[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000133174737 372001873 /nfs/dbraw/zinc/00/18/73/372001873.db2.gz BYICZVXZDBVBCW-JTQLQIEISA-N 1 0 216.111 3.440 10 30 BGEERO C=C[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000133174925 353407592 /nfs/dbraw/zinc/40/75/92/353407592.db2.gz BYICZVXZDBVBCW-SNVBAGLBSA-N 1 0 216.111 3.440 10 30 BGEERO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000133737793 591851621 /nfs/dbraw/zinc/85/16/21/591851621.db2.gz ICWCUBJLEXMSLJ-UXIGCNINSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000133738215 591850886 /nfs/dbraw/zinc/85/08/86/591850886.db2.gz ICWCUBJLEXMSLJ-KYOSRNDESA-N 1 0 246.329 3.039 10 30 BGEERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000134621150 325368098 /nfs/dbraw/zinc/36/80/98/325368098.db2.gz QMRWABOHSANDLX-HZSPNIEDSA-N 1 0 222.376 3.341 10 30 BGEERO C=C(Cl)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134654243 591945194 /nfs/dbraw/zinc/94/51/94/591945194.db2.gz QWUZLDXEXJDXSZ-UHFFFAOYSA-N 1 0 230.138 3.491 10 30 BGEERO C=C[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134655675 591945232 /nfs/dbraw/zinc/94/52/32/591945232.db2.gz NCNGXSYXYDTRJC-JTQLQIEISA-N 1 0 209.720 3.313 10 30 BGEERO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134655699 591945299 /nfs/dbraw/zinc/94/52/99/591945299.db2.gz NCNGXSYXYDTRJC-SNVBAGLBSA-N 1 0 209.720 3.313 10 30 BGEERO C=CC[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000134748833 325375379 /nfs/dbraw/zinc/37/53/79/325375379.db2.gz NUFOCNADKKMJNU-LBPRGKRZSA-N 1 0 226.323 3.289 10 30 BGEERO C=CC[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000134748852 325375399 /nfs/dbraw/zinc/37/53/99/325375399.db2.gz NUFOCNADKKMJNU-GFCCVEGCSA-N 1 0 226.323 3.289 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135125314 179338318 /nfs/dbraw/zinc/33/83/18/179338318.db2.gz JVRGBIQESVODPU-LBPRGKRZSA-N 1 0 240.306 3.311 10 30 BGEERO CC#CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000135261267 325404220 /nfs/dbraw/zinc/40/42/20/325404220.db2.gz GUPRCYOJEPUWOJ-VIFPVBQESA-N 1 0 225.694 3.153 10 30 BGEERO CC#CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000135261287 388488203 /nfs/dbraw/zinc/48/82/03/388488203.db2.gz GUPRCYOJEPUWOJ-SECBINFHSA-N 1 0 225.694 3.153 10 30 BGEERO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccs1 ZINC000135480555 384824446 /nfs/dbraw/zinc/82/44/46/384824446.db2.gz MKGXVFUJTSOCAN-VIFPVBQESA-N 1 0 232.308 3.064 10 30 BGEERO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccs1 ZINC000135480571 384824428 /nfs/dbraw/zinc/82/44/28/384824428.db2.gz MKGXVFUJTSOCAN-SECBINFHSA-N 1 0 232.308 3.064 10 30 BGEERO [NH2+]=C(Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000135757740 345787626 /nfs/dbraw/zinc/78/76/26/345787626.db2.gz XUZMQKOWMUWBAW-UHFFFAOYSA-N 1 0 232.233 3.002 10 30 BGEERO C=CCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000136133684 343196995 /nfs/dbraw/zinc/19/69/95/343196995.db2.gz UHDXNULDJVIABZ-ZJUUUORDSA-N 1 0 221.266 3.273 10 30 BGEERO C=CCC[NH2+]CCCCc1ccccc1 ZINC000136555819 343197627 /nfs/dbraw/zinc/19/76/27/343197627.db2.gz KHWBFFIKKUZNGY-UHFFFAOYSA-N 1 0 203.329 3.175 10 30 BGEERO CCCCCCCC[C@H](O)[C@@H]([NH3+])CCC ZINC000138103291 342756859 /nfs/dbraw/zinc/75/68/59/342756859.db2.gz CBJNPUYVJTZVGT-STQMWFEESA-N 1 0 215.381 3.225 10 30 BGEERO CCCCCCCC[C@H](O)[C@@H]([NH3+])[C@@H](C)CC ZINC000138825383 343245870 /nfs/dbraw/zinc/24/58/70/343245870.db2.gz HKOSWXIDKLLLOA-IHRRRGAJSA-N 1 0 229.408 3.471 10 30 BGEERO N#Cc1cccc(-c2ccnc(N3CCCC3)c2)c1 ZINC000139891401 345256126 /nfs/dbraw/zinc/25/61/26/345256126.db2.gz YDEIBHFYEGTOIW-UHFFFAOYSA-N 1 0 249.317 3.220 10 30 BGEERO CCCCCCCC[C@H](O)[C@@H]([NH3+])CC(C)C ZINC000141189258 345838993 /nfs/dbraw/zinc/83/89/93/345838993.db2.gz SEAWKBBKDXGCFM-KBPBESRZSA-N 1 0 229.408 3.471 10 30 BGEERO CO/C(NC1CCCCC1)=[NH+]\C1CCCCC1 ZINC000141190816 345838895 /nfs/dbraw/zinc/83/88/95/345838895.db2.gz MPDGNPFIUCLAMJ-UHFFFAOYSA-N 1 0 238.375 3.244 10 30 BGEERO C=CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2[C@H](CC)C1 ZINC000141219221 397984256 /nfs/dbraw/zinc/98/42/56/397984256.db2.gz CYKLFLCMPFHCGP-LLVKDONJSA-N 1 0 246.310 3.090 10 30 BGEERO C=CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2[C@@H](CC)C1 ZINC000141219422 345860150 /nfs/dbraw/zinc/86/01/50/345860150.db2.gz CYKLFLCMPFHCGP-NSHDSACASA-N 1 0 246.310 3.090 10 30 BGEERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(C#N)c1 ZINC000141362014 372932193 /nfs/dbraw/zinc/93/21/93/372932193.db2.gz NMWVWNGMMFJMAH-KRWDZBQOSA-N 1 0 248.329 3.136 10 30 BGEERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccc(C#N)c1 ZINC000141362203 343093194 /nfs/dbraw/zinc/09/31/94/343093194.db2.gz NMWVWNGMMFJMAH-QGZVFWFLSA-N 1 0 248.329 3.136 10 30 BGEERO CCCCCCCC[N+](CC)(CC)CCO ZINC000141715923 717152496 /nfs/dbraw/zinc/15/24/96/717152496.db2.gz RRBNGQHBEYUPFC-UHFFFAOYSA-N 1 0 230.416 3.196 10 30 BGEERO CN(Cc1ccccc1)C1(C#N)CCCCC1 ZINC000142031612 373092701 /nfs/dbraw/zinc/09/27/01/373092701.db2.gz VSKBHYADUFBQKK-UHFFFAOYSA-N 1 0 228.339 3.345 10 30 BGEERO [NH3+]C1(c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000144023975 342695329 /nfs/dbraw/zinc/69/53/29/342695329.db2.gz TUFHYVFPIIFGLC-UHFFFAOYSA-N 1 0 233.314 3.034 10 30 BGEERO C=CC[N@@H+](C)CCCCOc1ccc(NC)cc1 ZINC000144142498 342702513 /nfs/dbraw/zinc/70/25/13/342702513.db2.gz BGOYKPUIJVMJQH-UHFFFAOYSA-N 1 0 248.370 3.005 10 30 BGEERO CC(C)CCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000147551968 583601818 /nfs/dbraw/zinc/60/18/18/583601818.db2.gz XRHIWJHAKOFKKX-CHWSQXEVSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)CCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000147552131 583601991 /nfs/dbraw/zinc/60/19/91/583601991.db2.gz XRHIWJHAKOFKKX-OLZOCXBDSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)CCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000147552260 583602099 /nfs/dbraw/zinc/60/20/99/583602099.db2.gz XRHIWJHAKOFKKX-QWHCGFSZSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)CCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000147552365 582870279 /nfs/dbraw/zinc/87/02/79/582870279.db2.gz XRHIWJHAKOFKKX-STQMWFEESA-N 1 0 208.349 3.095 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000148517776 191327967 /nfs/dbraw/zinc/32/79/67/191327967.db2.gz ZAJTYLJVDVPAPP-KCQAQPDRSA-N 1 0 228.339 3.338 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000148518009 191328169 /nfs/dbraw/zinc/32/81/69/191328169.db2.gz ZAJTYLJVDVPAPP-YDHLFZDLSA-N 1 0 228.339 3.338 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000149234845 346612851 /nfs/dbraw/zinc/61/28/51/346612851.db2.gz VPJBYBQABZPPTN-QWRGUYRKSA-N 1 0 248.292 3.391 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000149235021 346612906 /nfs/dbraw/zinc/61/29/06/346612906.db2.gz VPJBYBQABZPPTN-WDEREUQCSA-N 1 0 248.292 3.391 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000149235220 346612912 /nfs/dbraw/zinc/61/29/12/346612912.db2.gz VPJBYBQABZPPTN-MNOVXSKESA-N 1 0 248.292 3.391 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000149235425 346612860 /nfs/dbraw/zinc/61/28/60/346612860.db2.gz VPJBYBQABZPPTN-GHMZBOCLSA-N 1 0 248.292 3.391 10 30 BGEERO C[NH+]=C1c2ccccc2CCc2ccccc21 ZINC000149764845 346153410 /nfs/dbraw/zinc/15/34/10/346153410.db2.gz CHJDOMSUALIXKA-UHFFFAOYSA-N 1 0 221.303 3.252 10 30 BGEERO C=CCC[C@H](CCC)[NH2+]Cc1ccccn1 ZINC000151072839 537942182 /nfs/dbraw/zinc/94/21/82/537942182.db2.gz GOWDLSWYWYZIGS-ZDUSSCGKSA-N 1 0 218.344 3.306 10 30 BGEERO C=CCC[C@@H](CCC)[NH2+]Cc1ccccn1 ZINC000151072896 537942164 /nfs/dbraw/zinc/94/21/64/537942164.db2.gz GOWDLSWYWYZIGS-CYBMUJFWSA-N 1 0 218.344 3.306 10 30 BGEERO CC#CCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000155332965 345076797 /nfs/dbraw/zinc/07/67/97/345076797.db2.gz ZYWRRTDCBOTVAH-ZDUSSCGKSA-N 1 0 248.395 3.044 10 30 BGEERO CC#CCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000155333068 345078081 /nfs/dbraw/zinc/07/80/81/345078081.db2.gz ZYWRRTDCBOTVAH-CYBMUJFWSA-N 1 0 248.395 3.044 10 30 BGEERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000155948885 201376326 /nfs/dbraw/zinc/37/63/26/201376326.db2.gz DYQOJFLMZSRBJF-YIYPIFLZSA-N 1 0 234.387 3.483 10 30 BGEERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000156724359 384944550 /nfs/dbraw/zinc/94/45/50/384944550.db2.gz SKEOBHUCQOBBFS-AWEZNQCLSA-N 1 0 228.339 3.203 10 30 BGEERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCC#N ZINC000156724493 384944691 /nfs/dbraw/zinc/94/46/91/384944691.db2.gz SKEOBHUCQOBBFS-CQSZACIVSA-N 1 0 228.339 3.203 10 30 BGEERO C#CCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156749988 640498102 /nfs/dbraw/zinc/49/81/02/640498102.db2.gz CNIQPRUZFGPVHI-HNNXBMFYSA-N 1 0 227.351 3.313 10 30 BGEERO C#CCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156750137 632399471 /nfs/dbraw/zinc/39/94/71/632399471.db2.gz CNIQPRUZFGPVHI-OAHLLOKOSA-N 1 0 227.351 3.313 10 30 BGEERO Cc1cc(N(C)CC(C)(C)C)c(C#N)c(C)n1 ZINC000157422884 384449413 /nfs/dbraw/zinc/44/94/13/384449413.db2.gz UAOJWNLDJFBQGW-UHFFFAOYSA-N 1 0 231.343 3.052 10 30 BGEERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000157529250 385205315 /nfs/dbraw/zinc/20/53/15/385205315.db2.gz LVPFRAIXPPQJHC-UXIGCNINSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000157529464 385204405 /nfs/dbraw/zinc/20/44/05/385204405.db2.gz LVPFRAIXPPQJHC-KYOSRNDESA-N 1 0 246.329 3.039 10 30 BGEERO CCCCCCCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000158093982 640805698 /nfs/dbraw/zinc/80/56/98/640805698.db2.gz ZVHDSZRBKTWURB-CQSZACIVSA-N 1 0 241.419 3.440 10 30 BGEERO CCCCCCCC[NH+]1CCC([C@H](C)O)CC1 ZINC000158094113 640806794 /nfs/dbraw/zinc/80/67/94/640806794.db2.gz ZVHDSZRBKTWURB-AWEZNQCLSA-N 1 0 241.419 3.440 10 30 BGEERO C=C[C@@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000158224196 345309652 /nfs/dbraw/zinc/30/96/52/345309652.db2.gz YIAFZQFLOCLOCH-MLGOLLRUSA-N 1 0 241.334 3.037 10 30 BGEERO CCCCCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000158415955 345331533 /nfs/dbraw/zinc/33/15/33/345331533.db2.gz LJJBLTOUOHZVOA-AWEZNQCLSA-N 1 0 249.402 3.180 10 30 BGEERO CCCCCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000158416111 345331681 /nfs/dbraw/zinc/33/16/81/345331681.db2.gz LJJBLTOUOHZVOA-CQSZACIVSA-N 1 0 249.402 3.180 10 30 BGEERO CCC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000159739975 169275856 /nfs/dbraw/zinc/27/58/56/169275856.db2.gz MIMQYAFLFZMSNT-VIFPVBQESA-N 1 0 222.719 3.272 10 30 BGEERO CCC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000159740103 169287284 /nfs/dbraw/zinc/28/72/84/169287284.db2.gz MIMQYAFLFZMSNT-SECBINFHSA-N 1 0 222.719 3.272 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000160261527 388055118 /nfs/dbraw/zinc/05/51/18/388055118.db2.gz XSZOIVVHDLKEPL-AEGPPILISA-N 1 0 228.339 3.338 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000160261660 388055032 /nfs/dbraw/zinc/05/50/32/388055032.db2.gz XSZOIVVHDLKEPL-QEJZJMRPSA-N 1 0 228.339 3.338 10 30 BGEERO CC#CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000160592668 357106535 /nfs/dbraw/zinc/10/65/35/357106535.db2.gz ULOXPQOJGLNNQB-UHFFFAOYSA-N 1 0 228.122 3.106 10 30 BGEERO C=CC[C@H]([NH3+])c1csc(Br)c1 ZINC000160711081 357279812 /nfs/dbraw/zinc/27/98/12/357279812.db2.gz ZABYJIOFOAXPFC-ZETCQYMHSA-N 1 0 232.146 3.087 10 30 BGEERO C=CC[C@@H]([NH3+])c1csc(Br)c1 ZINC000160711197 357280579 /nfs/dbraw/zinc/28/05/79/357280579.db2.gz ZABYJIOFOAXPFC-SSDOTTSWSA-N 1 0 232.146 3.087 10 30 BGEERO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)c1 ZINC000161080204 323145823 /nfs/dbraw/zinc/14/58/23/323145823.db2.gz STXGLDOAUSBANU-GFCCVEGCSA-N 1 0 240.306 3.311 10 30 BGEERO CC#CCC[C@H]([NH3+])c1ccccc1Cl ZINC000161107054 363016061 /nfs/dbraw/zinc/01/60/61/363016061.db2.gz UYJCRXFXUUMFKM-LBPRGKRZSA-N 1 0 207.704 3.143 10 30 BGEERO CC#CCC[C@@H]([NH3+])c1ccccc1Cl ZINC000161107191 363037626 /nfs/dbraw/zinc/03/76/26/363037626.db2.gz UYJCRXFXUUMFKM-GFCCVEGCSA-N 1 0 207.704 3.143 10 30 BGEERO CCCCCCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161587198 632096080 /nfs/dbraw/zinc/09/60/80/632096080.db2.gz PLOSJHVKRJIMME-CQSZACIVSA-N 1 0 227.392 3.051 10 30 BGEERO CCCCCCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161587339 632096484 /nfs/dbraw/zinc/09/64/84/632096484.db2.gz PLOSJHVKRJIMME-AWEZNQCLSA-N 1 0 227.392 3.051 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000161695912 353290793 /nfs/dbraw/zinc/29/07/93/353290793.db2.gz OKTZGCJEUIOLOT-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=CC[C@H]([NH3+])c1ccc(Br)cc1C ZINC000161696056 371552533 /nfs/dbraw/zinc/55/25/33/371552533.db2.gz OKTZGCJEUIOLOT-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C[C@H]([NH3+])C#Cc1c(Cl)cc(Cl)cc1Cl ZINC000162242993 371639201 /nfs/dbraw/zinc/63/92/01/371639201.db2.gz BMEIHZDEUYKPIS-LURJTMIESA-N 1 0 248.540 3.346 10 30 BGEERO C[C@@H]([NH3+])C#Cc1c(Cl)cc(Cl)cc1Cl ZINC000162243100 353307209 /nfs/dbraw/zinc/30/72/09/353307209.db2.gz BMEIHZDEUYKPIS-ZCFIWIBFSA-N 1 0 248.540 3.346 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccccc1OCC ZINC000162652028 371740422 /nfs/dbraw/zinc/74/04/22/371740422.db2.gz IURSFTDEHDOITD-GFCCVEGCSA-N 1 0 205.301 3.051 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccccc1OCC ZINC000162652147 345251566 /nfs/dbraw/zinc/25/15/66/345251566.db2.gz IURSFTDEHDOITD-LBPRGKRZSA-N 1 0 205.301 3.051 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccccc1OCC ZINC000162653874 371741051 /nfs/dbraw/zinc/74/10/51/371741051.db2.gz NNEXMMCUHYTCOV-GFCCVEGCSA-N 1 0 205.301 3.051 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccccc1OCC ZINC000162654000 371741195 /nfs/dbraw/zinc/74/11/95/371741195.db2.gz NNEXMMCUHYTCOV-LBPRGKRZSA-N 1 0 205.301 3.051 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)C(C)(C)C ZINC000162814655 371858387 /nfs/dbraw/zinc/85/83/87/371858387.db2.gz ADGVKMUGFIZDSP-JHJVBQTASA-N 1 0 222.376 3.341 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)C(C)(C)C ZINC000162814825 371858586 /nfs/dbraw/zinc/85/85/86/371858586.db2.gz ADGVKMUGFIZDSP-UPJWGTAASA-N 1 0 222.376 3.341 10 30 BGEERO C=C[C@@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162903497 371881142 /nfs/dbraw/zinc/88/11/42/371881142.db2.gz PMDRTIZZURMJCG-SNVBAGLBSA-N 1 0 240.144 3.252 10 30 BGEERO C=C[C@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162903613 371880983 /nfs/dbraw/zinc/88/09/83/371880983.db2.gz PMDRTIZZURMJCG-JTQLQIEISA-N 1 0 240.144 3.252 10 30 BGEERO C=C(C)C[NH2+][C@H](C)c1ccccc1OCC ZINC000163175974 353341624 /nfs/dbraw/zinc/34/16/24/353341624.db2.gz BMRXOPMDKJENTO-GFCCVEGCSA-N 1 0 219.328 3.312 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1ccccc1OCC ZINC000163176088 353341755 /nfs/dbraw/zinc/34/17/55/353341755.db2.gz BMRXOPMDKJENTO-LBPRGKRZSA-N 1 0 219.328 3.312 10 30 BGEERO C=CC[C@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000163311714 350516960 /nfs/dbraw/zinc/51/69/60/350516960.db2.gz YRCZREJQIOQXBL-WDEREUQCSA-N 1 0 235.375 3.135 10 30 BGEERO C=CC[C@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000163311817 350516654 /nfs/dbraw/zinc/51/66/54/350516654.db2.gz YRCZREJQIOQXBL-QWRGUYRKSA-N 1 0 235.375 3.135 10 30 BGEERO C=CC[C@@H](C)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000163311912 350517226 /nfs/dbraw/zinc/51/72/26/350517226.db2.gz YRCZREJQIOQXBL-GHMZBOCLSA-N 1 0 235.375 3.135 10 30 BGEERO C=CC[C@@H](C)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000163312028 133658432 /nfs/dbraw/zinc/65/84/32/133658432.db2.gz YRCZREJQIOQXBL-MNOVXSKESA-N 1 0 235.375 3.135 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccnc2ccccc21 ZINC000163399177 345765434 /nfs/dbraw/zinc/76/54/34/345765434.db2.gz QPSYVGXRFACBOZ-ZDUSSCGKSA-N 1 0 212.296 3.201 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000163399271 345765492 /nfs/dbraw/zinc/76/54/92/345765492.db2.gz QPSYVGXRFACBOZ-CYBMUJFWSA-N 1 0 212.296 3.201 10 30 BGEERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000163419744 350520668 /nfs/dbraw/zinc/52/06/68/350520668.db2.gz FRTAEAJSQGXZNC-GMTAPVOTSA-N 1 0 248.292 3.389 10 30 BGEERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000163420000 350520918 /nfs/dbraw/zinc/52/09/18/350520918.db2.gz FRTAEAJSQGXZNC-MXWKQRLJSA-N 1 0 248.292 3.389 10 30 BGEERO CC#CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000163615097 387805366 /nfs/dbraw/zinc/80/53/66/387805366.db2.gz DDGQQWVEVNRHRU-AWEZNQCLSA-N 1 0 245.366 3.395 10 30 BGEERO CC#CC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000163615202 387805591 /nfs/dbraw/zinc/80/55/91/387805591.db2.gz DDGQQWVEVNRHRU-CQSZACIVSA-N 1 0 245.366 3.395 10 30 BGEERO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000163697145 343207226 /nfs/dbraw/zinc/20/72/26/343207226.db2.gz XWMJPBKJXGSXIP-VHSXEESVSA-N 1 0 221.266 3.273 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccnc2ccccc21 ZINC000163994249 345782044 /nfs/dbraw/zinc/78/20/44/345782044.db2.gz XXDMELPMMUMIKL-ZDUSSCGKSA-N 1 0 212.296 3.201 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000163994361 345781747 /nfs/dbraw/zinc/78/17/47/345781747.db2.gz XXDMELPMMUMIKL-CYBMUJFWSA-N 1 0 212.296 3.201 10 30 BGEERO C=C(C)[C@H]([NH3+])c1csc(Br)c1 ZINC000164102346 352558503 /nfs/dbraw/zinc/55/85/03/352558503.db2.gz GMNSULMNPPVFKX-QMMMGPOBSA-N 1 0 232.146 3.087 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1csc(Br)c1 ZINC000164102453 352558684 /nfs/dbraw/zinc/55/86/84/352558684.db2.gz GMNSULMNPPVFKX-MRVPVSSYSA-N 1 0 232.146 3.087 10 30 BGEERO C[C@@H]1C[C@H]([NH2+]CCCCC#N)CC(C)(C)C1 ZINC000164497587 203138693 /nfs/dbraw/zinc/13/86/93/203138693.db2.gz JKBLWJLACGXDRX-OLZOCXBDSA-N 1 0 222.376 3.485 10 30 BGEERO C[C@@H]1C[C@@H]([NH2+]CCCCC#N)CC(C)(C)C1 ZINC000164497867 203139119 /nfs/dbraw/zinc/13/91/19/203139119.db2.gz JKBLWJLACGXDRX-CHWSQXEVSA-N 1 0 222.376 3.485 10 30 BGEERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC(C)(C)C1 ZINC000164693277 203298028 /nfs/dbraw/zinc/29/80/28/203298028.db2.gz WJCRSZHAWQNZGE-NEPJUHHUSA-N 1 0 222.376 3.341 10 30 BGEERO C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC(C)(C)C1 ZINC000164693397 203297860 /nfs/dbraw/zinc/29/78/60/203297860.db2.gz WJCRSZHAWQNZGE-RYUDHWBXSA-N 1 0 222.376 3.341 10 30 BGEERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC(C)(C)C1 ZINC000164693520 203299619 /nfs/dbraw/zinc/29/96/19/203299619.db2.gz WJCRSZHAWQNZGE-VXGBXAGGSA-N 1 0 222.376 3.341 10 30 BGEERO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC(C)(C)C1 ZINC000164693631 203298999 /nfs/dbraw/zinc/29/89/99/203298999.db2.gz WJCRSZHAWQNZGE-NWDGAFQWSA-N 1 0 222.376 3.341 10 30 BGEERO CCC[C@@H]1C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000165035577 388250410 /nfs/dbraw/zinc/25/04/10/388250410.db2.gz WXLANEIHLWICDS-NEPJUHHUSA-N 1 0 208.349 3.095 10 30 BGEERO CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000165035712 388249988 /nfs/dbraw/zinc/24/99/88/388249988.db2.gz WXLANEIHLWICDS-RYUDHWBXSA-N 1 0 208.349 3.095 10 30 BGEERO CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000165035837 388250356 /nfs/dbraw/zinc/25/03/56/388250356.db2.gz WXLANEIHLWICDS-VXGBXAGGSA-N 1 0 208.349 3.095 10 30 BGEERO CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000165035928 388250489 /nfs/dbraw/zinc/25/04/89/388250489.db2.gz WXLANEIHLWICDS-NWDGAFQWSA-N 1 0 208.349 3.095 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000165121954 353162451 /nfs/dbraw/zinc/16/24/51/353162451.db2.gz FIXIMOWYXGILAO-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000165122071 342876204 /nfs/dbraw/zinc/87/62/04/342876204.db2.gz FIXIMOWYXGILAO-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000165124664 342876114 /nfs/dbraw/zinc/87/61/14/342876114.db2.gz PDRYPVKUKPPBPT-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000165124797 342876173 /nfs/dbraw/zinc/87/61/73/342876173.db2.gz PDRYPVKUKPPBPT-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)[C@H]([NH3+])c1c(F)cccc1Br ZINC000165160087 342878394 /nfs/dbraw/zinc/87/83/94/342878394.db2.gz LZUWHYSODMYHHW-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1c(F)cccc1Br ZINC000165160217 342878253 /nfs/dbraw/zinc/87/82/53/342878253.db2.gz LZUWHYSODMYHHW-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cc(Br)ccc1F ZINC000165327072 342911282 /nfs/dbraw/zinc/91/12/82/342911282.db2.gz XNVXCEQWOYYFDX-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000165327212 342911512 /nfs/dbraw/zinc/91/15/12/342911512.db2.gz XNVXCEQWOYYFDX-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(C#N)cc1 ZINC000165560868 343557725 /nfs/dbraw/zinc/55/77/25/343557725.db2.gz CYBXQWHOUVLSEF-KRWDZBQOSA-N 1 0 248.329 3.136 10 30 BGEERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccc(C#N)cc1 ZINC000165561000 343557505 /nfs/dbraw/zinc/55/75/05/343557505.db2.gz CYBXQWHOUVLSEF-QGZVFWFLSA-N 1 0 248.329 3.136 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(Br)cc1F ZINC000166100001 344506017 /nfs/dbraw/zinc/50/60/17/344506017.db2.gz DYSWAPPCUBAOAI-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000166100123 344505811 /nfs/dbraw/zinc/50/58/11/344505811.db2.gz DYSWAPPCUBAOAI-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)c1 ZINC000166491395 229173282 /nfs/dbraw/zinc/17/32/82/229173282.db2.gz STXGLDOAUSBANU-LBPRGKRZSA-N 1 0 240.306 3.311 10 30 BGEERO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000167729188 346910146 /nfs/dbraw/zinc/91/01/46/346910146.db2.gz NPFCVHQNUNXFLN-KOLCDFICSA-N 1 0 201.741 3.297 10 30 BGEERO C#CC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000167998847 351227553 /nfs/dbraw/zinc/22/75/53/351227553.db2.gz ICSGVYARJLLLSA-VIFPVBQESA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000167998956 351227350 /nfs/dbraw/zinc/22/73/50/351227350.db2.gz ICSGVYARJLLLSA-SECBINFHSA-N 1 0 214.095 3.017 10 30 BGEERO C#CCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000168295252 640794313 /nfs/dbraw/zinc/79/43/13/640794313.db2.gz DYKSEOQTQIUEBK-UHFFFAOYSA-N 1 0 207.361 3.204 10 30 BGEERO C#CC[C@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000168539696 355885622 /nfs/dbraw/zinc/88/56/22/355885622.db2.gz QVGHSWZQHNYXLT-NSHDSACASA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[C@@H]([NH2+]C)c1cc(Cl)ccc1Cl ZINC000168539777 355885995 /nfs/dbraw/zinc/88/59/95/355885995.db2.gz QVGHSWZQHNYXLT-LLVKDONJSA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000168564730 356422390 /nfs/dbraw/zinc/42/23/90/356422390.db2.gz MXICZCQOWQBCQH-VIFPVBQESA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000168564816 357004599 /nfs/dbraw/zinc/00/45/99/357004599.db2.gz MXICZCQOWQBCQH-SECBINFHSA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000168570855 357030748 /nfs/dbraw/zinc/03/07/48/357030748.db2.gz CUFTVFOETCASRW-JTQLQIEISA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000168570959 357030901 /nfs/dbraw/zinc/03/09/01/357030901.db2.gz CUFTVFOETCASRW-SNVBAGLBSA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000168617221 356458339 /nfs/dbraw/zinc/45/83/39/356458339.db2.gz CBVKTCGDYXVRRB-JTQLQIEISA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000168617317 356458460 /nfs/dbraw/zinc/45/84/60/356458460.db2.gz CBVKTCGDYXVRRB-SNVBAGLBSA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000168625276 356468313 /nfs/dbraw/zinc/46/83/13/356468313.db2.gz KVEAUUHEENABLF-NSHDSACASA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[C@@H]([NH2+]C)c1ccc(Cl)cc1Cl ZINC000168625376 356468125 /nfs/dbraw/zinc/46/81/25/356468125.db2.gz KVEAUUHEENABLF-LLVKDONJSA-N 1 0 228.122 3.277 10 30 BGEERO C#CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000168641993 357161234 /nfs/dbraw/zinc/16/12/34/357161234.db2.gz TYLGLLURQFONRQ-JTQLQIEISA-N 1 0 214.095 3.017 10 30 BGEERO C#CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000168642094 356692192 /nfs/dbraw/zinc/69/21/92/356692192.db2.gz TYLGLLURQFONRQ-SNVBAGLBSA-N 1 0 214.095 3.017 10 30 BGEERO N#CCCCC1CC[NH+](C2CCCC2)CC1 ZINC000168750845 346742508 /nfs/dbraw/zinc/74/25/08/346742508.db2.gz UDZTTYBTMTYFTL-UHFFFAOYSA-N 1 0 220.360 3.335 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000169234656 357264202 /nfs/dbraw/zinc/26/42/02/357264202.db2.gz QQMMZYLGBQBLFL-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C[C@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169240942 359878473 /nfs/dbraw/zinc/87/84/73/359878473.db2.gz YRSUWCQNBHHGJQ-JTQLQIEISA-N 1 0 244.107 3.035 10 30 BGEERO C=C[C@@H]([NH2+]C)c1ccc(F)c(Br)c1 ZINC000169241016 359878343 /nfs/dbraw/zinc/87/83/43/359878343.db2.gz YRSUWCQNBHHGJQ-SNVBAGLBSA-N 1 0 244.107 3.035 10 30 BGEERO [NH2+]=C(CS)Nc1cccc2ccccc21 ZINC000169331682 181185526 /nfs/dbraw/zinc/18/55/26/181185526.db2.gz NIEBWDAYNRNWQN-UHFFFAOYSA-N 1 0 216.309 3.159 10 30 BGEERO C=CC[Si](C)(C)[NH2+][Si](C)(C)CC=C ZINC000169808225 188079185 /nfs/dbraw/zinc/07/91/85/188079185.db2.gz ZLMQMCPSNOTOBS-UHFFFAOYSA-N 1 0 213.473 3.358 10 30 BGEERO N#CCCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000171037211 385464901 /nfs/dbraw/zinc/46/49/01/385464901.db2.gz BXALDPUDBDHTKO-LBPRGKRZSA-N 1 0 249.383 3.364 10 30 BGEERO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000171037215 385463416 /nfs/dbraw/zinc/46/34/16/385463416.db2.gz BXALDPUDBDHTKO-GFCCVEGCSA-N 1 0 249.383 3.364 10 30 BGEERO C#CCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000174612598 641310653 /nfs/dbraw/zinc/31/06/53/641310653.db2.gz ILSLVBQQPNRGKX-OLZOCXBDSA-N 1 0 207.361 3.204 10 30 BGEERO C#CCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000174612612 632965098 /nfs/dbraw/zinc/96/50/98/632965098.db2.gz ILSLVBQQPNRGKX-STQMWFEESA-N 1 0 207.361 3.204 10 30 BGEERO C#CCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000174612625 641311201 /nfs/dbraw/zinc/31/12/01/641311201.db2.gz ILSLVBQQPNRGKX-CHWSQXEVSA-N 1 0 207.361 3.204 10 30 BGEERO C#CCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000174612639 641310380 /nfs/dbraw/zinc/31/03/80/641310380.db2.gz ILSLVBQQPNRGKX-QWHCGFSZSA-N 1 0 207.361 3.204 10 30 BGEERO C=C(C)C[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000181252131 134334490 /nfs/dbraw/zinc/33/44/90/134334490.db2.gz TZBRRMVVJKDPCK-UHFFFAOYSA-N 1 0 226.323 3.243 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+]CCCSCC#N ZINC000181563548 134917668 /nfs/dbraw/zinc/91/76/68/134917668.db2.gz XLEVKXQHYGFTSS-ZDUSSCGKSA-N 1 0 248.395 3.293 10 30 BGEERO COc1ccc([C@@H](C)C[NH2+]CCCCC#N)cc1 ZINC000182195038 536885347 /nfs/dbraw/zinc/88/53/47/536885347.db2.gz FNXZZZNAGLNBOH-ZDUSSCGKSA-N 1 0 246.354 3.082 10 30 BGEERO COc1ccc([C@H](C)C[NH2+]CCCCC#N)cc1 ZINC000182195057 136219086 /nfs/dbraw/zinc/21/90/86/136219086.db2.gz FNXZZZNAGLNBOH-CYBMUJFWSA-N 1 0 246.354 3.082 10 30 BGEERO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000185574658 367137933 /nfs/dbraw/zinc/13/79/33/367137933.db2.gz DSFURCORSXODJB-KCPJHIHWSA-N 1 0 246.329 3.211 10 30 BGEERO C[C@H](C#N)C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000185574693 367138496 /nfs/dbraw/zinc/13/84/96/367138496.db2.gz DSFURCORSXODJB-DFBGVHRSSA-N 1 0 246.329 3.211 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)o1 ZINC000185710586 134931766 /nfs/dbraw/zinc/93/17/66/134931766.db2.gz TUKFKOYYAUEPJD-RWMBFGLXSA-N 1 0 232.327 3.321 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)o1 ZINC000185710617 347210888 /nfs/dbraw/zinc/21/08/88/347210888.db2.gz TUKFKOYYAUEPJD-AVGNSLFASA-N 1 0 232.327 3.321 10 30 BGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000187675772 177274158 /nfs/dbraw/zinc/27/41/58/177274158.db2.gz SKGJWDPIHIOYEL-RYUDHWBXSA-N 1 0 246.379 3.057 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192599614 134956084 /nfs/dbraw/zinc/95/60/84/134956084.db2.gz WCSASYPGHYKZEN-SDDRHHMPSA-N 1 0 234.368 3.481 10 30 BGEERO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192599663 356229042 /nfs/dbraw/zinc/22/90/42/356229042.db2.gz WCSASYPGHYKZEN-WOPDTQHZSA-N 1 0 234.368 3.481 10 30 BGEERO C=CCCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000193325346 357882072 /nfs/dbraw/zinc/88/20/72/357882072.db2.gz ITJYKIBABFNDSW-UHFFFAOYSA-N 1 0 247.386 3.336 10 30 BGEERO C=CCCCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000193333346 386546340 /nfs/dbraw/zinc/54/63/40/386546340.db2.gz ZJBTWBZJDAWFTL-HNNXBMFYSA-N 1 0 247.386 3.303 10 30 BGEERO C=CCCCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000193333358 386546632 /nfs/dbraw/zinc/54/66/32/386546632.db2.gz ZJBTWBZJDAWFTL-OAHLLOKOSA-N 1 0 247.386 3.303 10 30 BGEERO C=CCCCCC[N@@H+]1CCS[C@H](C)C1 ZINC000193333962 388700308 /nfs/dbraw/zinc/70/03/08/388700308.db2.gz KPOVUQHKQKMBMX-GFCCVEGCSA-N 1 0 213.390 3.170 10 30 BGEERO C=CCCCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000193333970 388700929 /nfs/dbraw/zinc/70/09/29/388700929.db2.gz KPOVUQHKQKMBMX-LBPRGKRZSA-N 1 0 213.390 3.170 10 30 BGEERO C=CC[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377417 387913145 /nfs/dbraw/zinc/91/31/45/387913145.db2.gz IGSBCZGRQBBTDI-LLVKDONJSA-N 1 0 236.384 3.071 10 30 BGEERO C=CC[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377421 387912884 /nfs/dbraw/zinc/91/28/84/387912884.db2.gz IGSBCZGRQBBTDI-NSHDSACASA-N 1 0 236.384 3.071 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195441195 387916707 /nfs/dbraw/zinc/91/67/07/387916707.db2.gz GRILBPJRDVBVMI-GFCCVEGCSA-N 1 0 236.384 3.207 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195441202 387917079 /nfs/dbraw/zinc/91/70/79/387917079.db2.gz GRILBPJRDVBVMI-LBPRGKRZSA-N 1 0 236.384 3.207 10 30 BGEERO Cc1ccc(NC(=[NH2+])c2ccc(C)cc2)cc1 ZINC000196012769 178359706 /nfs/dbraw/zinc/35/97/06/178359706.db2.gz JEYOEZNERWUUFZ-UHFFFAOYSA-N 1 0 224.307 3.340 10 30 BGEERO C#CC(C)(C)[NH+]1[Si](C)(C)CC[Si]1(C)C ZINC000196357718 532983570 /nfs/dbraw/zinc/98/35/70/532983570.db2.gz PBNQAJFBHAFVGD-UHFFFAOYSA-N 1 0 225.484 3.124 10 30 BGEERO SCC[NH2+]CCCCCC1CCCC1 ZINC000204953847 385644415 /nfs/dbraw/zinc/64/44/15/385644415.db2.gz KOYGJWKCBWUUND-UHFFFAOYSA-N 1 0 215.406 3.256 10 30 BGEERO CC(C)[Si](C#CC[NH3+])(C(C)C)C(C)C ZINC000207540797 343721250 /nfs/dbraw/zinc/72/12/50/343721250.db2.gz QJRFGWLWCPSJEU-UHFFFAOYSA-N 1 0 211.425 3.167 10 30 BGEERO C/[NH+]=C(\C)c1cccc(C(F)(F)F)c1 ZINC000215489853 349886177 /nfs/dbraw/zinc/88/61/77/349886177.db2.gz MIKKPZUEAIPPCS-VGOFMYFVSA-N 1 0 201.191 3.144 10 30 BGEERO CC(=[NH2+])Nc1c(Cl)cc(F)cc1Cl ZINC000215732331 371622119 /nfs/dbraw/zinc/62/21/19/371622119.db2.gz GMCYRGVNVHRYMO-UHFFFAOYSA-N 1 0 221.062 3.141 10 30 BGEERO CCCCCCCC[C@@H](O)[C@@H]([NH3+])[C@@H](C)CC ZINC000215810998 349930881 /nfs/dbraw/zinc/93/08/81/349930881.db2.gz HKOSWXIDKLLLOA-MJBXVCDLSA-N 1 0 229.408 3.471 10 30 BGEERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000215828392 179036387 /nfs/dbraw/zinc/03/63/87/179036387.db2.gz VVPXKVWFROPWNC-UKRRQHHQSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000215828436 179038356 /nfs/dbraw/zinc/03/83/56/179038356.db2.gz VVPXKVWFROPWNC-HIFRSBDPSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000215828484 179037884 /nfs/dbraw/zinc/03/78/84/179037884.db2.gz VVPXKVWFROPWNC-DZGCQCFKSA-N 1 0 228.339 3.085 10 30 BGEERO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000215828527 179038446 /nfs/dbraw/zinc/03/84/46/179038446.db2.gz VVPXKVWFROPWNC-ZFWWWQNUSA-N 1 0 228.339 3.085 10 30 BGEERO SCC[NH2+]CCCCCOC1CCCCC1 ZINC000216086179 526388767 /nfs/dbraw/zinc/38/87/67/526388767.db2.gz YIASZKNZZOAQRW-UHFFFAOYSA-N 1 0 245.432 3.025 10 30 BGEERO CCCCCCCC[C@@H](O)[C@@H]([NH3+])CCC ZINC000219333039 345858737 /nfs/dbraw/zinc/85/87/37/345858737.db2.gz CBJNPUYVJTZVGT-QWHCGFSZSA-N 1 0 215.381 3.225 10 30 BGEERO C#CCC[C@@H]([NH3+])c1cccc(Cl)c1C ZINC000220377734 344253857 /nfs/dbraw/zinc/25/38/57/344253857.db2.gz SDCTXJUGFSJAMW-GFCCVEGCSA-N 1 0 207.704 3.062 10 30 BGEERO C#CCC[C@H]([NH3+])c1cccc(Cl)c1C ZINC000220377804 344253910 /nfs/dbraw/zinc/25/39/10/344253910.db2.gz SDCTXJUGFSJAMW-LBPRGKRZSA-N 1 0 207.704 3.062 10 30 BGEERO C[Si](C)(C)C#Cc1cccc(CCCC[NH3+])c1 ZINC000220815820 345862347 /nfs/dbraw/zinc/86/23/47/345862347.db2.gz GDSKTDWTIBUOOW-UHFFFAOYSA-N 1 0 245.442 3.197 10 30 BGEERO C[C@@H]1CC[C@@H](C#N)[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000222176211 350142759 /nfs/dbraw/zinc/14/27/59/350142759.db2.gz NISDYJPYZQQQFN-KBMXLJTQSA-N 1 0 242.366 3.447 10 30 BGEERO C[C@@H]1CC[C@H](C#N)[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000222176322 350143072 /nfs/dbraw/zinc/14/30/72/350143072.db2.gz NISDYJPYZQQQFN-BMFZPTHFSA-N 1 0 242.366 3.447 10 30 BGEERO CCCCCCCC[C@@H](O)[C@@H]([NH3+])CC(C)C ZINC000223183621 350267832 /nfs/dbraw/zinc/26/78/32/350267832.db2.gz SEAWKBBKDXGCFM-UONOGXRCSA-N 1 0 229.408 3.471 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)OC ZINC000223922659 584909229 /nfs/dbraw/zinc/90/92/29/584909229.db2.gz IJNNXHQOUHSZDJ-CHWSQXEVSA-N 1 0 215.381 3.360 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]C[C@@H](C)OC ZINC000223922712 592547071 /nfs/dbraw/zinc/54/70/71/592547071.db2.gz IJNNXHQOUHSZDJ-QWHCGFSZSA-N 1 0 215.381 3.360 10 30 BGEERO CCCCCCC[C@@H](C)[NH2+]C[C@H](C)OC ZINC000223922760 592546917 /nfs/dbraw/zinc/54/69/17/592546917.db2.gz IJNNXHQOUHSZDJ-OLZOCXBDSA-N 1 0 215.381 3.360 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]C[C@H](C)OC ZINC000223922813 592546766 /nfs/dbraw/zinc/54/67/66/592546766.db2.gz IJNNXHQOUHSZDJ-STQMWFEESA-N 1 0 215.381 3.360 10 30 BGEERO C#CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000224312806 640609281 /nfs/dbraw/zinc/60/92/81/640609281.db2.gz ILQQMOAVTNZNQA-RRFJBIMHSA-N 1 0 221.388 3.450 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000224369979 134346324 /nfs/dbraw/zinc/34/63/24/134346324.db2.gz UZBIXYBSQLLIOD-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000224370028 134346447 /nfs/dbraw/zinc/34/64/47/134346447.db2.gz UZBIXYBSQLLIOD-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000224370063 134346401 /nfs/dbraw/zinc/34/64/01/134346401.db2.gz UZBIXYBSQLLIOD-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000224370105 134346378 /nfs/dbraw/zinc/34/63/78/134346378.db2.gz UZBIXYBSQLLIOD-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000224385599 388664085 /nfs/dbraw/zinc/66/40/85/388664085.db2.gz MNXWMIFZMRHBIA-APIJFGDWSA-N 1 0 234.387 3.483 10 30 BGEERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000224737541 388767105 /nfs/dbraw/zinc/76/71/05/388767105.db2.gz FCJYPHRRWLLFKZ-GLQYFDAESA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000224737631 386150590 /nfs/dbraw/zinc/15/05/90/386150590.db2.gz FCJYPHRRWLLFKZ-NILFDRSVSA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000224737923 169434047 /nfs/dbraw/zinc/43/40/47/169434047.db2.gz CQVFNTVCLLWKOK-GLQYFDAESA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000224738014 388766762 /nfs/dbraw/zinc/76/67/62/388766762.db2.gz CQVFNTVCLLWKOK-NILFDRSVSA-N 1 0 228.339 3.397 10 30 BGEERO C=CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccccc2)C[C@H]1C ZINC000225220161 368417404 /nfs/dbraw/zinc/41/74/04/368417404.db2.gz RBTRFNVMOGYJFF-FMKPAKJESA-N 1 0 244.382 3.383 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)s1 ZINC000225264298 369300078 /nfs/dbraw/zinc/30/00/78/369300078.db2.gz OHGQJPJIIUXBBH-BXUZGUMPSA-N 1 0 248.395 3.482 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)s1 ZINC000225264326 369300267 /nfs/dbraw/zinc/30/02/67/369300267.db2.gz OHGQJPJIIUXBBH-RISCZKNCSA-N 1 0 248.395 3.482 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)s1 ZINC000225264363 369300321 /nfs/dbraw/zinc/30/03/21/369300321.db2.gz OHGQJPJIIUXBBH-SMDDNHRTSA-N 1 0 248.395 3.482 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)s1 ZINC000225264390 369300662 /nfs/dbraw/zinc/30/06/62/369300662.db2.gz OHGQJPJIIUXBBH-FZMZJTMJSA-N 1 0 248.395 3.482 10 30 BGEERO O/[N+](=C\c1ccccc1)Cc1cccc(Cl)c1 ZINC000225441272 370647636 /nfs/dbraw/zinc/64/76/36/370647636.db2.gz JIDGLNAUWACCPJ-YBEGLDIGSA-N 1 0 246.717 3.361 10 30 BGEERO O/[N+](=C\c1ccccc1)Cc1ccc(Cl)cc1 ZINC000225441446 370647936 /nfs/dbraw/zinc/64/79/36/370647936.db2.gz WZQAANHOVIZKGY-YBEGLDIGSA-N 1 0 246.717 3.361 10 30 BGEERO O/[N+](=C\c1ccccc1)Cc1ccccc1Cl ZINC000225441738 370652907 /nfs/dbraw/zinc/65/29/07/370652907.db2.gz REBUANDZUBXLKF-YBEGLDIGSA-N 1 0 246.717 3.361 10 30 BGEERO O/[N+](=C\c1ccccc1)CCCc1ccccc1 ZINC000225441794 370652517 /nfs/dbraw/zinc/65/25/17/370652517.db2.gz ALVYFYFIMJMHBT-VKAVYKQESA-N 1 0 240.326 3.140 10 30 BGEERO O/[N+](=C\c1ccccc1)CC1CCCCC1 ZINC000225441852 370652681 /nfs/dbraw/zinc/65/26/81/370652681.db2.gz RPNZZHQOHCPMMJ-PTNGSMBKSA-N 1 0 218.320 3.088 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@@H](C)C1 ZINC000226176969 371619941 /nfs/dbraw/zinc/61/99/41/371619941.db2.gz XICMLZMVUZISIW-QKGCVVFFSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@@H](C)C1 ZINC000226179481 134360095 /nfs/dbraw/zinc/36/00/95/134360095.db2.gz GPLTZBCNYIVVFI-XHJNMGKDSA-N 1 0 220.360 3.093 10 30 BGEERO C=CCCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000226389964 385008975 /nfs/dbraw/zinc/00/89/75/385008975.db2.gz GQFWWIODMGYSKC-LBPRGKRZSA-N 1 0 222.332 3.380 10 30 BGEERO C=CCCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000226389971 134365082 /nfs/dbraw/zinc/36/50/82/134365082.db2.gz GQFWWIODMGYSKC-GFCCVEGCSA-N 1 0 222.332 3.380 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000226608283 371706911 /nfs/dbraw/zinc/70/69/11/371706911.db2.gz XPISKNZDLKBJLZ-CWRNSKLLSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000226608292 371705954 /nfs/dbraw/zinc/70/59/54/371705954.db2.gz XPISKNZDLKBJLZ-NUEKZKHPSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000226613594 134368088 /nfs/dbraw/zinc/36/80/88/134368088.db2.gz QLQDPLRSMZSAKI-CWRNSKLLSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000226613605 134368276 /nfs/dbraw/zinc/36/82/76/134368276.db2.gz QLQDPLRSMZSAKI-NUEKZKHPSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615686 343375986 /nfs/dbraw/zinc/37/59/86/343375986.db2.gz ZPKWGMRLYAJBTP-XUWVNRHRSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615695 343376619 /nfs/dbraw/zinc/37/66/19/343376619.db2.gz ZPKWGMRLYAJBTP-LVQVYYBASA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615703 343375993 /nfs/dbraw/zinc/37/59/93/343375993.db2.gz ZPKWGMRLYAJBTP-ZJIFWQFVSA-N 1 0 240.350 3.214 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000226617693 371706712 /nfs/dbraw/zinc/70/67/12/371706712.db2.gz FEMRZXGPNPEXCW-RDBSUJKOSA-N 1 0 218.344 3.015 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000226617706 371708029 /nfs/dbraw/zinc/70/80/29/371708029.db2.gz FEMRZXGPNPEXCW-HZSPNIEDSA-N 1 0 218.344 3.015 10 30 BGEERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000226670107 388726591 /nfs/dbraw/zinc/72/65/91/388726591.db2.gz QMRWABOHSANDLX-RDBSUJKOSA-N 1 0 222.376 3.341 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227022763 640809601 /nfs/dbraw/zinc/80/96/01/640809601.db2.gz OYOSFCXFJLLOEF-JHJVBQTASA-N 1 0 222.376 3.483 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227022777 644151774 /nfs/dbraw/zinc/15/17/74/644151774.db2.gz OYOSFCXFJLLOEF-UPJWGTAASA-N 1 0 222.376 3.483 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000227181106 388743479 /nfs/dbraw/zinc/74/34/79/388743479.db2.gz STTPLNWGJCUIQL-XQLPTFJDSA-N 1 0 232.371 3.237 10 30 BGEERO C[C@@H](CC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227210679 134376442 /nfs/dbraw/zinc/37/64/42/134376442.db2.gz FHNHCSWFKMKSRD-QWHCGFSZSA-N 1 0 222.376 3.437 10 30 BGEERO C[C@H](CC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000227210682 134376239 /nfs/dbraw/zinc/37/62/39/134376239.db2.gz FHNHCSWFKMKSRD-CHWSQXEVSA-N 1 0 222.376 3.437 10 30 BGEERO C[C@@H]1CC[N@H+](CC(C)(C)CS)[C@@H](C)C1 ZINC000227245931 371815412 /nfs/dbraw/zinc/81/54/12/371815412.db2.gz BWPQVUKUVNPRQP-MNOVXSKESA-N 1 0 215.406 3.063 10 30 BGEERO C[C@H]1CC[N@H+](CC(C)(C)CS)[C@@H](C)C1 ZINC000227245938 371815186 /nfs/dbraw/zinc/81/51/86/371815186.db2.gz BWPQVUKUVNPRQP-QWRGUYRKSA-N 1 0 215.406 3.063 10 30 BGEERO C[C@@H](C#N)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000227437663 134380026 /nfs/dbraw/zinc/38/00/26/134380026.db2.gz UBXLMTOTRWIPKH-NWDGAFQWSA-N 1 0 208.349 3.047 10 30 BGEERO C[C@H](C#N)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000227437668 134380031 /nfs/dbraw/zinc/38/00/31/134380031.db2.gz UBXLMTOTRWIPKH-VXGBXAGGSA-N 1 0 208.349 3.047 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872916 388761845 /nfs/dbraw/zinc/76/18/45/388761845.db2.gz STTPLNWGJCUIQL-BARDWOONSA-N 1 0 232.371 3.237 10 30 BGEERO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]32)cc1 ZINC000229105792 181105079 /nfs/dbraw/zinc/10/50/79/181105079.db2.gz SIMDMVLJHBIOHH-HZPDHXFCSA-N 1 0 240.350 3.323 10 30 BGEERO C#C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000229515857 372159267 /nfs/dbraw/zinc/15/92/67/372159267.db2.gz CNWXULCEQNBJBC-ZJUUUORDSA-N 1 0 207.704 3.012 10 30 BGEERO C#C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000229515865 372159395 /nfs/dbraw/zinc/15/93/95/372159395.db2.gz CNWXULCEQNBJBC-UWVGGRQHSA-N 1 0 207.704 3.012 10 30 BGEERO C#C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000229515871 372159370 /nfs/dbraw/zinc/15/93/70/372159370.db2.gz CNWXULCEQNBJBC-NXEZZACHSA-N 1 0 207.704 3.012 10 30 BGEERO C#C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000229515880 372160008 /nfs/dbraw/zinc/16/00/08/372160008.db2.gz CNWXULCEQNBJBC-VHSXEESVSA-N 1 0 207.704 3.012 10 30 BGEERO C#C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000229520806 533233906 /nfs/dbraw/zinc/23/39/06/533233906.db2.gz HOGAWFZGTFZPKC-NXEZZACHSA-N 1 0 207.704 3.012 10 30 BGEERO C#C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000229520817 372159794 /nfs/dbraw/zinc/15/97/94/372159794.db2.gz HOGAWFZGTFZPKC-VHSXEESVSA-N 1 0 207.704 3.012 10 30 BGEERO CC(C)C(C[NH2+][C@@H]1CCC[C@@H]1C#N)C(C)C ZINC000229551226 388793272 /nfs/dbraw/zinc/79/32/72/388793272.db2.gz ALKCTESSXMBDGM-TZMCWYRMSA-N 1 0 222.376 3.196 10 30 BGEERO CC(C)C(C[NH2+][C@H]1CCC[C@@H]1C#N)C(C)C ZINC000229551234 259310661 /nfs/dbraw/zinc/31/06/61/259310661.db2.gz ALKCTESSXMBDGM-OCCSQVGLSA-N 1 0 222.376 3.196 10 30 BGEERO CC(C)C(C[NH2+][C@@H]1CCC[C@H]1C#N)C(C)C ZINC000229551242 388793839 /nfs/dbraw/zinc/79/38/39/388793839.db2.gz ALKCTESSXMBDGM-GXTWGEPZSA-N 1 0 222.376 3.196 10 30 BGEERO CC(C)C(C[NH2+][C@H]1CCC[C@H]1C#N)C(C)C ZINC000229551250 388793168 /nfs/dbraw/zinc/79/31/68/388793168.db2.gz ALKCTESSXMBDGM-JSGCOSHPSA-N 1 0 222.376 3.196 10 30 BGEERO [NH3+]CCCC#Cc1cccc(Cl)c1Cl ZINC000229816392 372198626 /nfs/dbraw/zinc/19/86/26/372198626.db2.gz VHISUBZMFWYGTG-UHFFFAOYSA-N 1 0 228.122 3.084 10 30 BGEERO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000229879616 388800998 /nfs/dbraw/zinc/80/09/98/388800998.db2.gz YRLDEVFDXFIJDN-ZIAGYGMSSA-N 1 0 239.403 3.384 10 30 BGEERO C=CCCOCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000229879620 388801678 /nfs/dbraw/zinc/80/16/78/388801678.db2.gz YRLDEVFDXFIJDN-KGLIPLIRSA-N 1 0 239.403 3.384 10 30 BGEERO C=CCCOCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000229879626 388801653 /nfs/dbraw/zinc/80/16/53/388801653.db2.gz YRLDEVFDXFIJDN-UONOGXRCSA-N 1 0 239.403 3.384 10 30 BGEERO C=CCCOCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000229879630 388801765 /nfs/dbraw/zinc/80/17/65/388801765.db2.gz YRLDEVFDXFIJDN-KBPBESRZSA-N 1 0 239.403 3.384 10 30 BGEERO CC[C@@H]([NH3+])C#Cc1ccc(Cl)c(Cl)c1 ZINC000229902633 342854244 /nfs/dbraw/zinc/85/42/44/342854244.db2.gz KEJVHQKSNDIFHV-SECBINFHSA-N 1 0 228.122 3.082 10 30 BGEERO CC[C@H]([NH3+])C#Cc1ccc(Cl)c(Cl)c1 ZINC000229902634 342854192 /nfs/dbraw/zinc/85/41/92/342854192.db2.gz KEJVHQKSNDIFHV-VIFPVBQESA-N 1 0 228.122 3.082 10 30 BGEERO C#CCCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000230067999 641012986 /nfs/dbraw/zinc/01/29/86/641012986.db2.gz YZVNJZUYQFEXLY-MNOVXSKESA-N 1 0 233.277 3.111 10 30 BGEERO C=CCSCC[NH2+]CC1CCC(C)CC1 ZINC000231329589 363341810 /nfs/dbraw/zinc/34/18/10/363341810.db2.gz HZCWBDCXPPTDRK-UHFFFAOYSA-N 1 0 227.417 3.322 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000232451799 352674162 /nfs/dbraw/zinc/67/41/62/352674162.db2.gz DMPSORGGGLPICC-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000232459135 352679084 /nfs/dbraw/zinc/67/90/84/352679084.db2.gz DMPSORGGGLPICC-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO CC#CC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232555055 353127808 /nfs/dbraw/zinc/12/78/08/353127808.db2.gz LPQBVOILAWAVLC-SSDOTTSWSA-N 1 0 234.151 3.468 10 30 BGEERO CC#CC[C@@H]([NH3+])c1ccc(C)cc1Cl ZINC000232555195 353127798 /nfs/dbraw/zinc/12/77/98/353127798.db2.gz FXSRPBVDQZHSJM-GFCCVEGCSA-N 1 0 207.704 3.062 10 30 BGEERO CC#CC[C@@H]([NH3+])c1ccc(Cl)cc1C ZINC000232555284 353127796 /nfs/dbraw/zinc/12/77/96/353127796.db2.gz DUCJJYJVRUHOGF-GFCCVEGCSA-N 1 0 207.704 3.062 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cccc(Br)c1F ZINC000232557282 353128595 /nfs/dbraw/zinc/12/85/95/353128595.db2.gz QFQDRQJCLNZROB-SNVBAGLBSA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cccc(C)c1Br ZINC000232557331 353128477 /nfs/dbraw/zinc/12/84/77/353128477.db2.gz LOPUNAYBYANKQB-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1scc(C)c1Cl ZINC000232557777 353129379 /nfs/dbraw/zinc/12/93/79/353129379.db2.gz QWSJOZTUJHGLOM-MRVPVSSYSA-N 1 0 201.722 3.286 10 30 BGEERO CC#CC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000232563791 353133139 /nfs/dbraw/zinc/13/31/39/353133139.db2.gz LPQBVOILAWAVLC-ZETCQYMHSA-N 1 0 234.151 3.468 10 30 BGEERO CC#CC[C@H]([NH3+])c1ccc(C)cc1Cl ZINC000232563933 353133099 /nfs/dbraw/zinc/13/30/99/353133099.db2.gz FXSRPBVDQZHSJM-LBPRGKRZSA-N 1 0 207.704 3.062 10 30 BGEERO CC#CC[C@H]([NH3+])c1ccc(Cl)cc1C ZINC000232564024 353133351 /nfs/dbraw/zinc/13/33/51/353133351.db2.gz DUCJJYJVRUHOGF-LBPRGKRZSA-N 1 0 207.704 3.062 10 30 BGEERO CC#CC[C@H]([NH3+])c1scc(C)c1Cl ZINC000232564566 353133187 /nfs/dbraw/zinc/13/31/87/353133187.db2.gz KYJNICZQUBOIBY-QMMMGPOBSA-N 1 0 213.733 3.123 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cccc(Br)c1F ZINC000232564763 353133081 /nfs/dbraw/zinc/13/30/81/353133081.db2.gz QFQDRQJCLNZROB-JTQLQIEISA-N 1 0 244.107 3.164 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cccc(C)c1Br ZINC000232564802 353133404 /nfs/dbraw/zinc/13/34/04/353133404.db2.gz LOPUNAYBYANKQB-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1scc(C)c1Cl ZINC000232565179 353133396 /nfs/dbraw/zinc/13/33/96/353133396.db2.gz QWSJOZTUJHGLOM-QMMMGPOBSA-N 1 0 201.722 3.286 10 30 BGEERO C=CCCCCC[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000232577507 641306680 /nfs/dbraw/zinc/30/66/80/641306680.db2.gz LIVTWSUJVJBEQA-CQSZACIVSA-N 1 0 223.360 3.034 10 30 BGEERO C=CCCCCC[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000232614749 641306625 /nfs/dbraw/zinc/30/66/25/641306625.db2.gz LIVTWSUJVJBEQA-AWEZNQCLSA-N 1 0 223.360 3.034 10 30 BGEERO CC(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000232719579 353269209 /nfs/dbraw/zinc/26/92/09/353269209.db2.gz PLPWLWHFPHBGRE-CHWSQXEVSA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)C1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000232719905 353268754 /nfs/dbraw/zinc/26/87/54/353268754.db2.gz PLPWLWHFPHBGRE-QWHCGFSZSA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)C1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000232726833 353272726 /nfs/dbraw/zinc/27/27/26/353272726.db2.gz PLPWLWHFPHBGRE-OLZOCXBDSA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)C1(C[NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000232727066 353272697 /nfs/dbraw/zinc/27/26/97/353272697.db2.gz PLPWLWHFPHBGRE-STQMWFEESA-N 1 0 220.360 3.095 10 30 BGEERO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000233023280 388861145 /nfs/dbraw/zinc/86/11/45/388861145.db2.gz YDFUXKACGPBXEL-BFHYXJOUSA-N 1 0 222.376 3.485 10 30 BGEERO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000233027643 388860901 /nfs/dbraw/zinc/86/09/01/388860901.db2.gz YDFUXKACGPBXEL-MJBXVCDLSA-N 1 0 222.376 3.485 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000234143642 343464910 /nfs/dbraw/zinc/46/49/10/343464910.db2.gz OKUZKYHFUWEZSP-HZPDHXFCSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000234143767 343465131 /nfs/dbraw/zinc/46/51/31/343465131.db2.gz OKUZKYHFUWEZSP-JKSUJKDBSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000234149447 343465891 /nfs/dbraw/zinc/46/58/91/343465891.db2.gz OKUZKYHFUWEZSP-CVEARBPZSA-N 1 0 242.366 3.421 10 30 BGEERO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000234149558 343465830 /nfs/dbraw/zinc/46/58/30/343465830.db2.gz OKUZKYHFUWEZSP-HOTGVXAUSA-N 1 0 242.366 3.421 10 30 BGEERO C=C(C)[C@H]([NH2+]C)c1ccc(Cl)c(F)c1 ZINC000234402744 343963920 /nfs/dbraw/zinc/96/39/20/343963920.db2.gz UYGSAOJFMDBWQY-NSHDSACASA-N 1 0 213.683 3.316 10 30 BGEERO C=C[C@H]([NH2+]C)c1scc(C)c1Cl ZINC000234433059 343966898 /nfs/dbraw/zinc/96/68/98/343966898.db2.gz KEJOXMFMAWBLKL-ZETCQYMHSA-N 1 0 201.722 3.156 10 30 BGEERO C#CC[C@H]([NH2+]C)c1cc(Cl)sc1Cl ZINC000234434720 343967218 /nfs/dbraw/zinc/96/72/18/343967218.db2.gz HAORRTKDKJIWRZ-ZETCQYMHSA-N 1 0 234.151 3.339 10 30 BGEERO C=C[C@@H]([NH2+]C)c1scc(C)c1Cl ZINC000234435465 343966893 /nfs/dbraw/zinc/96/68/93/343966893.db2.gz KEJOXMFMAWBLKL-SSDOTTSWSA-N 1 0 201.722 3.156 10 30 BGEERO C#CC[C@@H]([NH2+]C)c1cc(Cl)sc1Cl ZINC000234436884 343967027 /nfs/dbraw/zinc/96/70/27/343967027.db2.gz HAORRTKDKJIWRZ-SSDOTTSWSA-N 1 0 234.151 3.339 10 30 BGEERO C=C(C)[C@@H]([NH2+]C)c1ccc(Cl)c(F)c1 ZINC000234457922 343970010 /nfs/dbraw/zinc/97/00/10/343970010.db2.gz UYGSAOJFMDBWQY-LLVKDONJSA-N 1 0 213.683 3.316 10 30 BGEERO Cc1cnc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)o1 ZINC000235193805 357855138 /nfs/dbraw/zinc/85/51/38/357855138.db2.gz OPOCPXDNBQPFPC-GFCCVEGCSA-N 1 0 249.358 3.354 10 30 BGEERO C#C[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000235195589 344842184 /nfs/dbraw/zinc/84/21/84/344842184.db2.gz BFHWCBSWAYKXNM-SFYZADRCSA-N 1 0 213.733 3.074 10 30 BGEERO C#C[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000235217215 344846624 /nfs/dbraw/zinc/84/66/24/344846624.db2.gz BFHWCBSWAYKXNM-HTQZYQBOSA-N 1 0 213.733 3.074 10 30 BGEERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000235230667 135045833 /nfs/dbraw/zinc/04/58/33/135045833.db2.gz PQXJLAIXXILILY-LPWJVIDDSA-N 1 0 220.360 3.093 10 30 BGEERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000235390003 388368195 /nfs/dbraw/zinc/36/81/95/388368195.db2.gz IPAIUFFYCMEMKQ-SPWCGHHHSA-N 1 0 232.371 3.261 10 30 BGEERO C#C[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000235520325 344929988 /nfs/dbraw/zinc/92/99/88/344929988.db2.gz BFHWCBSWAYKXNM-JGVFFNPUSA-N 1 0 213.733 3.074 10 30 BGEERO C#C[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000235530719 344933414 /nfs/dbraw/zinc/93/34/14/344933414.db2.gz BFHWCBSWAYKXNM-YUMQZZPRSA-N 1 0 213.733 3.074 10 30 BGEERO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCS1 ZINC000235586513 357881146 /nfs/dbraw/zinc/88/11/46/357881146.db2.gz FBNIRXWGUAAWOD-LBPRGKRZSA-N 1 0 240.416 3.144 10 30 BGEERO C#CCC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236288026 346221182 /nfs/dbraw/zinc/22/11/82/346221182.db2.gz YVWRBOSWWVQRDW-ZETCQYMHSA-N 1 0 234.151 3.468 10 30 BGEERO C#CC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236304985 346225467 /nfs/dbraw/zinc/22/54/67/346225467.db2.gz MRQDNGCEDQXDHC-LURJTMIESA-N 1 0 220.124 3.078 10 30 BGEERO C=C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236312805 344354615 /nfs/dbraw/zinc/35/46/15/344354615.db2.gz ANSCPJVRMUJGLE-RXMQYKEDSA-N 1 0 208.113 3.241 10 30 BGEERO C#CC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236316008 346224829 /nfs/dbraw/zinc/22/48/29/346224829.db2.gz MRQDNGCEDQXDHC-ZCFIWIBFSA-N 1 0 220.124 3.078 10 30 BGEERO C#CCC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236321781 346226087 /nfs/dbraw/zinc/22/60/87/346226087.db2.gz YVWRBOSWWVQRDW-SSDOTTSWSA-N 1 0 234.151 3.468 10 30 BGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246434083 177275359 /nfs/dbraw/zinc/27/53/59/177275359.db2.gz UBZZWUNWPOMSIN-NWDGAFQWSA-N 1 0 246.379 3.057 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247535607 359231239 /nfs/dbraw/zinc/23/12/39/359231239.db2.gz OPUDPSXKRYKXGG-HZPDHXFCSA-N 1 0 245.366 3.151 10 30 BGEERO C=C(C)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247535614 359231439 /nfs/dbraw/zinc/23/14/39/359231439.db2.gz OPUDPSXKRYKXGG-JKSUJKDBSA-N 1 0 245.366 3.151 10 30 BGEERO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000248697613 388689270 /nfs/dbraw/zinc/68/92/70/388689270.db2.gz DSFURCORSXODJB-BYCMXARLSA-N 1 0 246.329 3.211 10 30 BGEERO C[C@H](C#N)C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000248697614 388689988 /nfs/dbraw/zinc/68/99/88/388689988.db2.gz DSFURCORSXODJB-UGFHNGPFSA-N 1 0 246.329 3.211 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)o1 ZINC000248895191 135024897 /nfs/dbraw/zinc/02/48/97/135024897.db2.gz TUKFKOYYAUEPJD-XQQFMLRXSA-N 1 0 232.327 3.321 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000248895193 135025419 /nfs/dbraw/zinc/02/54/19/135025419.db2.gz TUKFKOYYAUEPJD-YNEHKIRRSA-N 1 0 232.327 3.321 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccs1 ZINC000249046115 136273826 /nfs/dbraw/zinc/27/38/26/136273826.db2.gz WCSASYPGHYKZEN-QJPTWQEYSA-N 1 0 234.368 3.481 10 30 BGEERO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccs1 ZINC000249046118 135031283 /nfs/dbraw/zinc/03/12/83/135031283.db2.gz WCSASYPGHYKZEN-TUAOUCFPSA-N 1 0 234.368 3.481 10 30 BGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000249394620 135037768 /nfs/dbraw/zinc/03/77/68/135037768.db2.gz SKGJWDPIHIOYEL-NWDGAFQWSA-N 1 0 246.379 3.057 10 30 BGEERO CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000249703525 362274916 /nfs/dbraw/zinc/27/49/16/362274916.db2.gz FSRXDSJNILJRPS-GJZGRUSLSA-N 1 0 228.339 3.201 10 30 BGEERO CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000249703527 362275118 /nfs/dbraw/zinc/27/51/18/362275118.db2.gz FSRXDSJNILJRPS-LSDHHAIUSA-N 1 0 228.339 3.201 10 30 BGEERO C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1C#N ZINC000250222892 362797243 /nfs/dbraw/zinc/79/72/43/362797243.db2.gz ICCMVMCEESTPCU-GJZGRUSLSA-N 1 0 228.339 3.201 10 30 BGEERO C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1C#N ZINC000250222894 362796815 /nfs/dbraw/zinc/79/68/15/362796815.db2.gz ICCMVMCEESTPCU-LSDHHAIUSA-N 1 0 228.339 3.201 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000250536753 135056396 /nfs/dbraw/zinc/05/63/96/135056396.db2.gz QLQDPLRSMZSAKI-BPUTZDHNSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000250536756 135055830 /nfs/dbraw/zinc/05/58/30/135055830.db2.gz QLQDPLRSMZSAKI-IMJJTQAJSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000250668237 325667980 /nfs/dbraw/zinc/66/79/80/325667980.db2.gz STTPLNWGJCUIQL-AJNGGQMLSA-N 1 0 232.371 3.237 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000250668241 388738419 /nfs/dbraw/zinc/73/84/19/388738419.db2.gz STTPLNWGJCUIQL-QPSCCSFWSA-N 1 0 232.371 3.237 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000250796837 644780446 /nfs/dbraw/zinc/78/04/46/644780446.db2.gz BDEGAMLAUBAHTE-RRFJBIMHSA-N 1 0 241.419 3.486 10 30 BGEERO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000250796842 644780497 /nfs/dbraw/zinc/78/04/97/644780497.db2.gz BDEGAMLAUBAHTE-SOUVJXGZSA-N 1 0 241.419 3.486 10 30 BGEERO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000250837597 644782937 /nfs/dbraw/zinc/78/29/37/644782937.db2.gz VXIONZAPXSDSEM-AVGNSLFASA-N 1 0 208.349 3.237 10 30 BGEERO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000250837598 644781858 /nfs/dbraw/zinc/78/18/58/644781858.db2.gz VXIONZAPXSDSEM-RWMBFGLXSA-N 1 0 208.349 3.237 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000250868583 369614456 /nfs/dbraw/zinc/61/44/56/369614456.db2.gz XPISKNZDLKBJLZ-BPUTZDHNSA-N 1 0 240.350 3.346 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000250868586 369614385 /nfs/dbraw/zinc/61/43/85/369614385.db2.gz XPISKNZDLKBJLZ-IMJJTQAJSA-N 1 0 240.350 3.346 10 30 BGEERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000250991139 135061261 /nfs/dbraw/zinc/06/12/61/135061261.db2.gz MAGQVZJLHJPOLU-OSAQELSMSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000250991145 135061437 /nfs/dbraw/zinc/06/14/37/135061437.db2.gz MAGQVZJLHJPOLU-ZLDLUXBVSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)C(C)(C)C ZINC000251049155 343485371 /nfs/dbraw/zinc/48/53/71/343485371.db2.gz ADGVKMUGFIZDSP-AGIUHOORSA-N 1 0 222.376 3.341 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)C(C)(C)C ZINC000251049157 343485262 /nfs/dbraw/zinc/48/52/62/343485262.db2.gz ADGVKMUGFIZDSP-FRRDWIJNSA-N 1 0 222.376 3.341 10 30 BGEERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251097696 369663534 /nfs/dbraw/zinc/66/35/34/369663534.db2.gz LXRKWTFUCTUHDB-IPYPFGDCSA-N 1 0 246.354 3.273 10 30 BGEERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251097698 369663955 /nfs/dbraw/zinc/66/39/55/369663955.db2.gz LXRKWTFUCTUHDB-VNHYZAJKSA-N 1 0 246.354 3.273 10 30 BGEERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251104308 369669608 /nfs/dbraw/zinc/66/96/08/369669608.db2.gz AYLCUZTUNLZWQA-AVGNSLFASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251104315 369669391 /nfs/dbraw/zinc/66/93/91/369669391.db2.gz AYLCUZTUNLZWQA-XQQFMLRXSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251115075 384909477 /nfs/dbraw/zinc/90/94/77/384909477.db2.gz PTSMNVPZUUAQTP-SNPRPXQTSA-N 1 0 228.339 3.072 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251115078 384910477 /nfs/dbraw/zinc/91/04/77/384910477.db2.gz PTSMNVPZUUAQTP-VHDGCEQUSA-N 1 0 228.339 3.072 10 30 BGEERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251117129 322870767 /nfs/dbraw/zinc/87/07/67/322870767.db2.gz QFXXNQCVMCGYOQ-KBMXLJTQSA-N 1 0 242.366 3.290 10 30 BGEERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251117130 384908887 /nfs/dbraw/zinc/90/88/87/384908887.db2.gz QFXXNQCVMCGYOQ-VNQPRFMTSA-N 1 0 242.366 3.290 10 30 BGEERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251152870 135064703 /nfs/dbraw/zinc/06/47/03/135064703.db2.gz LQWLLPGUDNJJNL-AVGNSLFASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251152873 135065444 /nfs/dbraw/zinc/06/54/44/135065444.db2.gz LQWLLPGUDNJJNL-RWMBFGLXSA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000251166763 369696667 /nfs/dbraw/zinc/69/66/67/369696667.db2.gz NWGYIUFDXBXBMT-AVGNSLFASA-N 1 0 220.360 3.237 10 30 BGEERO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251166769 343620612 /nfs/dbraw/zinc/62/06/12/343620612.db2.gz NWGYIUFDXBXBMT-XQQFMLRXSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251171473 322870762 /nfs/dbraw/zinc/87/07/62/322870762.db2.gz FEBZCWINJWEZFR-KBMXLJTQSA-N 1 0 242.366 3.462 10 30 BGEERO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251171475 397988690 /nfs/dbraw/zinc/98/86/90/397988690.db2.gz FEBZCWINJWEZFR-VNQPRFMTSA-N 1 0 242.366 3.462 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251262355 535946341 /nfs/dbraw/zinc/94/63/41/535946341.db2.gz NXNVOSOWUOYWLQ-KKUMJFAQSA-N 1 0 228.339 3.420 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000251262362 535935594 /nfs/dbraw/zinc/93/55/94/535935594.db2.gz NXNVOSOWUOYWLQ-SOUVJXGZSA-N 1 0 228.339 3.420 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C(C)C ZINC000251290426 369759644 /nfs/dbraw/zinc/75/96/44/369759644.db2.gz PRCYTQKVSSLXTD-AVGNSLFASA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C(C)C ZINC000251290430 369759391 /nfs/dbraw/zinc/75/93/91/369759391.db2.gz PRCYTQKVSSLXTD-RWMBFGLXSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251350238 369779242 /nfs/dbraw/zinc/77/92/42/369779242.db2.gz GEPJWXYDHMSJPE-KWCYVHTRSA-N 1 0 248.395 3.351 10 30 BGEERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251350242 369779326 /nfs/dbraw/zinc/77/93/26/369779326.db2.gz GEPJWXYDHMSJPE-XBFCOCLRSA-N 1 0 248.395 3.351 10 30 BGEERO CCCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251362392 325676373 /nfs/dbraw/zinc/67/63/73/325676373.db2.gz PLCNMLUQWFZXEF-AVGNSLFASA-N 1 0 208.349 3.237 10 30 BGEERO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251362395 325676297 /nfs/dbraw/zinc/67/62/97/325676297.db2.gz PLCNMLUQWFZXEF-RWMBFGLXSA-N 1 0 208.349 3.237 10 30 BGEERO CCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251363387 343124953 /nfs/dbraw/zinc/12/49/53/343124953.db2.gz PQAOUWFIVNSAHO-AVGNSLFASA-N 1 0 208.349 3.237 10 30 BGEERO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251363390 369785432 /nfs/dbraw/zinc/78/54/32/369785432.db2.gz PQAOUWFIVNSAHO-RWMBFGLXSA-N 1 0 208.349 3.237 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251370144 135068634 /nfs/dbraw/zinc/06/86/34/135068634.db2.gz FXMISEGVQOVQAV-AVGNSLFASA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251370145 135069225 /nfs/dbraw/zinc/06/92/25/135069225.db2.gz FXMISEGVQOVQAV-RWMBFGLXSA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251391341 384913612 /nfs/dbraw/zinc/91/36/12/384913612.db2.gz JXNQIKYOPPRXRO-IHRRRGAJSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251391345 384915059 /nfs/dbraw/zinc/91/50/59/384915059.db2.gz JXNQIKYOPPRXRO-MELADBBJSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251416418 369794953 /nfs/dbraw/zinc/79/49/53/369794953.db2.gz OYDOZFCARGLXAY-AVGNSLFASA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251416419 369794790 /nfs/dbraw/zinc/79/47/90/369794790.db2.gz OYDOZFCARGLXAY-RWMBFGLXSA-N 1 0 208.349 3.093 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251433167 369805786 /nfs/dbraw/zinc/80/57/86/369805786.db2.gz SPMYSUALTZYGPO-IHRRRGAJSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251433169 369805583 /nfs/dbraw/zinc/80/55/83/369805583.db2.gz SPMYSUALTZYGPO-MELADBBJSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000251608723 369867741 /nfs/dbraw/zinc/86/77/41/369867741.db2.gz CADYVZOSHLXJGZ-MQYQWHSLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251608730 369867425 /nfs/dbraw/zinc/86/74/25/369867425.db2.gz CADYVZOSHLXJGZ-RFGFWPKPSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251608736 369867666 /nfs/dbraw/zinc/86/76/66/369867666.db2.gz CADYVZOSHLXJGZ-ZOBORPQBSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251622196 325678961 /nfs/dbraw/zinc/67/89/61/325678961.db2.gz DLKNQOLSWSZYDG-APIJFGDWSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251622201 325678787 /nfs/dbraw/zinc/67/87/87/325678787.db2.gz DLKNQOLSWSZYDG-KBXIAJHMSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000251622205 325678925 /nfs/dbraw/zinc/67/89/25/325678925.db2.gz DLKNQOLSWSZYDG-TUVASFSCSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251703536 344209272 /nfs/dbraw/zinc/20/92/72/344209272.db2.gz OIOBWRBAHMUNSQ-DYEKYZERSA-N 1 0 248.395 3.351 10 30 BGEERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251703538 344209448 /nfs/dbraw/zinc/20/94/48/344209448.db2.gz OIOBWRBAHMUNSQ-MBNYWOFBSA-N 1 0 248.395 3.351 10 30 BGEERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000251752256 322871524 /nfs/dbraw/zinc/87/15/24/322871524.db2.gz HATMNHRXGVSZIE-CRWXNKLISA-N 1 0 222.376 3.483 10 30 BGEERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251752258 384916562 /nfs/dbraw/zinc/91/65/62/384916562.db2.gz HATMNHRXGVSZIE-XDQVBPFNSA-N 1 0 222.376 3.483 10 30 BGEERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251752261 384916642 /nfs/dbraw/zinc/91/66/42/384916642.db2.gz HATMNHRXGVSZIE-XUXIUFHCSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000251768753 388754797 /nfs/dbraw/zinc/75/47/97/388754797.db2.gz DYQOJFLMZSRBJF-MQYQWHSLSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000251768755 388754852 /nfs/dbraw/zinc/75/48/52/388754852.db2.gz DYQOJFLMZSRBJF-RFGFWPKPSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251768757 388754281 /nfs/dbraw/zinc/75/42/81/388754281.db2.gz DYQOJFLMZSRBJF-ZOBORPQBSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C[C@@H](C)C1 ZINC000251799208 344422114 /nfs/dbraw/zinc/42/21/14/344422114.db2.gz GGOJKZGTCKXOPW-QKGCVVFFSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C[C@@H](C)C1 ZINC000251799211 344422146 /nfs/dbraw/zinc/42/21/46/344422146.db2.gz GGOJKZGTCKXOPW-SEBNEYGDSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C[C@@H](C)C1 ZINC000251799214 344421901 /nfs/dbraw/zinc/42/19/01/344421901.db2.gz GGOJKZGTCKXOPW-XPABHHOTSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C[C@@H](C)C1 ZINC000251799216 344422165 /nfs/dbraw/zinc/42/21/65/344422165.db2.gz GGOJKZGTCKXOPW-ZQNQSHIBSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C[C@@H]1C ZINC000251806769 135077613 /nfs/dbraw/zinc/07/76/13/135077613.db2.gz MFCAGFMEUBCUPC-IKOXMDCHSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C[C@H]1C ZINC000251806771 135078256 /nfs/dbraw/zinc/07/82/56/135078256.db2.gz MFCAGFMEUBCUPC-PEBLQZBPSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C[C@H]1C ZINC000251806773 135077904 /nfs/dbraw/zinc/07/79/04/135077904.db2.gz MFCAGFMEUBCUPC-XGFWRYKXSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@H]1C ZINC000251862779 369979741 /nfs/dbraw/zinc/97/97/41/369979741.db2.gz PZNJWIGKYHUIRW-CAEXGNQWSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@@H]1C ZINC000251862781 369979185 /nfs/dbraw/zinc/97/91/85/369979185.db2.gz PZNJWIGKYHUIRW-NIFZNCRKSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@H]1C ZINC000251862783 369979660 /nfs/dbraw/zinc/97/96/60/369979660.db2.gz PZNJWIGKYHUIRW-QKGCVVFFSA-N 1 0 234.387 3.483 10 30 BGEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000251878485 388755286 /nfs/dbraw/zinc/75/52/86/388755286.db2.gz VAPPXZGOJURWDK-MQYQWHSLSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251878487 325682769 /nfs/dbraw/zinc/68/27/69/325682769.db2.gz VAPPXZGOJURWDK-RFGFWPKPSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251878489 325682672 /nfs/dbraw/zinc/68/26/72/325682672.db2.gz VAPPXZGOJURWDK-ZOBORPQBSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000251901373 369980772 /nfs/dbraw/zinc/98/07/72/369980772.db2.gz SNNQRHSIYIDRQE-MQYQWHSLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000251901376 369980467 /nfs/dbraw/zinc/98/04/67/369980467.db2.gz SNNQRHSIYIDRQE-RFGFWPKPSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000251901378 369980987 /nfs/dbraw/zinc/98/09/87/369980987.db2.gz SNNQRHSIYIDRQE-ZOBORPQBSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251904546 135080133 /nfs/dbraw/zinc/08/01/33/135080133.db2.gz STSSKCGZLAMMPW-RFGFWPKPSA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000251904549 135080245 /nfs/dbraw/zinc/08/02/45/135080245.db2.gz STSSKCGZLAMMPW-RQJABVFESA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251904552 135080451 /nfs/dbraw/zinc/08/04/51/135080451.db2.gz STSSKCGZLAMMPW-ZOBORPQBSA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@H]1C ZINC000251917707 322871639 /nfs/dbraw/zinc/87/16/39/322871639.db2.gz ULHKVLHQECYPLZ-IKOXMDCHSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@@H]1C ZINC000251917710 384918246 /nfs/dbraw/zinc/91/82/46/384918246.db2.gz ULHKVLHQECYPLZ-PEBLQZBPSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@H]1C ZINC000251917715 322871798 /nfs/dbraw/zinc/87/17/98/322871798.db2.gz ULHKVLHQECYPLZ-XHJNMGKDSA-N 1 0 220.360 3.093 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251946916 369994725 /nfs/dbraw/zinc/99/47/25/369994725.db2.gz TWXRTRYUUFTXRF-CYDGBPFRSA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000251946920 369994879 /nfs/dbraw/zinc/99/48/79/369994879.db2.gz TWXRTRYUUFTXRF-RVMXOQNASA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251946923 344746928 /nfs/dbraw/zinc/74/69/28/344746928.db2.gz TWXRTRYUUFTXRF-ZDEQEGDKSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C[C@H]1C ZINC000251969320 488066708 /nfs/dbraw/zinc/06/67/08/488066708.db2.gz YBJCOZHEIRRTBG-ARILJUKYSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C[C@@H]1C ZINC000251969321 488066636 /nfs/dbraw/zinc/06/66/36/488066636.db2.gz YBJCOZHEIRRTBG-CAEXGNQWSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C[C@H]1C ZINC000251969323 488067055 /nfs/dbraw/zinc/06/70/55/488067055.db2.gz YBJCOZHEIRRTBG-NIFZNCRKSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@@H](C)C1 ZINC000252087034 135082450 /nfs/dbraw/zinc/08/24/50/135082450.db2.gz GPLTZBCNYIVVFI-IKOXMDCHSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@H](C)C1 ZINC000252087035 135082894 /nfs/dbraw/zinc/08/28/94/135082894.db2.gz GPLTZBCNYIVVFI-PEBLQZBPSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000252097837 369998137 /nfs/dbraw/zinc/99/81/37/369998137.db2.gz FTDSQHLTIYVTDN-MQYQWHSLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000252097839 369998099 /nfs/dbraw/zinc/99/80/99/369998099.db2.gz FTDSQHLTIYVTDN-RFGFWPKPSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252097841 369998246 /nfs/dbraw/zinc/99/82/46/369998246.db2.gz FTDSQHLTIYVTDN-ZOBORPQBSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C[C@@H](C)C1 ZINC000252117710 135083464 /nfs/dbraw/zinc/08/34/64/135083464.db2.gz KKWQHJUPXQPAAF-BJJPWKGXSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C[C@@H](C)C1 ZINC000252117711 135083983 /nfs/dbraw/zinc/08/39/83/135083983.db2.gz KKWQHJUPXQPAAF-MEBFFEOJSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C[C@@H](C)C1 ZINC000252117713 135083746 /nfs/dbraw/zinc/08/37/46/135083746.db2.gz KKWQHJUPXQPAAF-VJTDZRGJSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C[C@@H](C)C1 ZINC000252117715 135083976 /nfs/dbraw/zinc/08/39/76/135083976.db2.gz KKWQHJUPXQPAAF-XHJNMGKDSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000252121229 135083303 /nfs/dbraw/zinc/08/33/03/135083303.db2.gz KVTPSOYXWAHNJT-IKOXMDCHSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000252121231 135083943 /nfs/dbraw/zinc/08/39/43/135083943.db2.gz KVTPSOYXWAHNJT-MBJXGIAVSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000252121233 135083850 /nfs/dbraw/zinc/08/38/50/135083850.db2.gz KVTPSOYXWAHNJT-XHJNMGKDSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@@H]1CCC[N@H+](CC(C)(C)CS)[C@H]1C ZINC000252134302 363135688 /nfs/dbraw/zinc/13/56/88/363135688.db2.gz LGQKOCPKVVKRGZ-MNOVXSKESA-N 1 0 215.406 3.063 10 30 BGEERO C[C@H]1CCC[N@H+](CC(C)(C)CS)[C@H]1C ZINC000252134304 363135550 /nfs/dbraw/zinc/13/55/50/363135550.db2.gz LGQKOCPKVVKRGZ-QWRGUYRKSA-N 1 0 215.406 3.063 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000252155032 635707072 /nfs/dbraw/zinc/70/70/72/635707072.db2.gz NDKSYBYZXNTJAX-MQYQWHSLSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000252155033 644838767 /nfs/dbraw/zinc/83/87/67/644838767.db2.gz NDKSYBYZXNTJAX-RFGFWPKPSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000252155034 644838538 /nfs/dbraw/zinc/83/85/38/644838538.db2.gz NDKSYBYZXNTJAX-ZOBORPQBSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC(C)(C)C1 ZINC000252199126 384916622 /nfs/dbraw/zinc/91/66/22/384916622.db2.gz VZDQQTIHYRRZEB-MQYQWHSLSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000252199127 384916775 /nfs/dbraw/zinc/91/67/75/384916775.db2.gz VZDQQTIHYRRZEB-RFGFWPKPSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC(C)(C)C1 ZINC000252199128 322872165 /nfs/dbraw/zinc/87/21/65/322872165.db2.gz VZDQQTIHYRRZEB-ZOBORPQBSA-N 1 0 234.387 3.483 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000252231560 322872132 /nfs/dbraw/zinc/87/21/32/322872132.db2.gz ZXHWWYONVFOQSI-RQJABVFESA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000252231561 322872090 /nfs/dbraw/zinc/87/20/90/322872090.db2.gz ZXHWWYONVFOQSI-SYQHCUMBSA-N 1 0 220.360 3.095 10 30 BGEERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252231562 322872016 /nfs/dbraw/zinc/87/20/16/322872016.db2.gz ZXHWWYONVFOQSI-XJFOESAGSA-N 1 0 220.360 3.095 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000252814082 347590278 /nfs/dbraw/zinc/59/02/78/347590278.db2.gz SKXVYYFRQDBQME-KBMXLJTQSA-N 1 0 242.366 3.462 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)c1ccccc1 ZINC000252814083 347590291 /nfs/dbraw/zinc/59/02/91/347590291.db2.gz SKXVYYFRQDBQME-VNQPRFMTSA-N 1 0 242.366 3.462 10 30 BGEERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252894362 388791062 /nfs/dbraw/zinc/79/10/62/388791062.db2.gz VELMRSLWYWWOTQ-ARFHVFGLSA-N 1 0 242.366 3.290 10 30 BGEERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000252894363 388791047 /nfs/dbraw/zinc/79/10/47/388791047.db2.gz VELMRSLWYWWOTQ-XHSDSOJGSA-N 1 0 242.366 3.290 10 30 BGEERO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252911657 643140684 /nfs/dbraw/zinc/14/06/84/643140684.db2.gz ICWCUBJLEXMSLJ-OSAQELSMSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000252911658 643139023 /nfs/dbraw/zinc/13/90/23/643139023.db2.gz ICWCUBJLEXMSLJ-ZLDLUXBVSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000253109599 135121884 /nfs/dbraw/zinc/12/18/84/135121884.db2.gz FRTAEAJSQGXZNC-OUAUKWLOSA-N 1 0 248.292 3.389 10 30 BGEERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1C#N ZINC000253109600 135122465 /nfs/dbraw/zinc/12/24/65/135122465.db2.gz FRTAEAJSQGXZNC-VWYCJHECSA-N 1 0 248.292 3.389 10 30 BGEERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000253364421 135126993 /nfs/dbraw/zinc/12/69/93/135126993.db2.gz LVPFRAIXPPQJHC-OSAQELSMSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H]1C#N ZINC000253364422 135127021 /nfs/dbraw/zinc/12/70/21/135127021.db2.gz LVPFRAIXPPQJHC-ZLDLUXBVSA-N 1 0 246.329 3.039 10 30 BGEERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1S ZINC000253603186 345692198 /nfs/dbraw/zinc/69/21/98/345692198.db2.gz BRPHQTWLZRAHAB-IMRBUKKESA-N 1 0 235.396 3.073 10 30 BGEERO C=C(C)c1cccc(C2(C[NH3+])CCC2)c1 ZINC000258154459 385542613 /nfs/dbraw/zinc/54/26/13/385542613.db2.gz PAYSOWHJOFZYGA-UHFFFAOYSA-N 1 0 201.313 3.100 10 30 BGEERO C[N@H+](CC1CCCCC1)CC1(C#N)CCC1 ZINC000258811777 384939504 /nfs/dbraw/zinc/93/95/04/384939504.db2.gz BQJOSKCRTAMNIO-UHFFFAOYSA-N 1 0 220.360 3.192 10 30 BGEERO CC(C)C[C@H](CC#N)[NH2+]Cc1ccccc1 ZINC000261033632 386003449 /nfs/dbraw/zinc/00/34/49/386003449.db2.gz BGRCPBHUWXEQTD-AWEZNQCLSA-N 1 0 216.328 3.105 10 30 BGEERO CC(C)C[C@@H](CC#N)[NH2+]Cc1ccccc1 ZINC000261033633 386004405 /nfs/dbraw/zinc/00/44/05/386004405.db2.gz BGRCPBHUWXEQTD-CQSZACIVSA-N 1 0 216.328 3.105 10 30 BGEERO CC(C)c1cccc(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000261967545 135267099 /nfs/dbraw/zinc/26/70/99/135267099.db2.gz BURRZBHGFUDLRS-CYBMUJFWSA-N 1 0 245.370 3.335 10 30 BGEERO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)cc1 ZINC000261990302 536021462 /nfs/dbraw/zinc/02/14/62/536021462.db2.gz LRUQHSSTDHOWNE-COPLHBTASA-N 1 0 245.370 3.335 10 30 BGEERO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)cc1 ZINC000261990303 536021514 /nfs/dbraw/zinc/02/15/14/536021514.db2.gz LRUQHSSTDHOWNE-MISXGVKJSA-N 1 0 245.370 3.335 10 30 BGEERO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)cc1 ZINC000261990304 536021425 /nfs/dbraw/zinc/02/14/25/536021425.db2.gz LRUQHSSTDHOWNE-MJVIPROJSA-N 1 0 245.370 3.335 10 30 BGEERO CC[C@H](C)c1ccc(NC(=[NH2+])N[C@H]2C[C@H]2C)cc1 ZINC000261990305 536021332 /nfs/dbraw/zinc/02/13/32/536021332.db2.gz LRUQHSSTDHOWNE-WDMOLILDSA-N 1 0 245.370 3.335 10 30 BGEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000262385534 135298633 /nfs/dbraw/zinc/29/86/33/135298633.db2.gz DNCXLHYRQIYDRY-TZMCWYRMSA-N 1 0 245.370 3.219 10 30 BGEERO CCC[C@H]1C[C@H]1NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000262412956 135295620 /nfs/dbraw/zinc/29/56/20/135295620.db2.gz LTWKSDNIZYEESZ-GXTWGEPZSA-N 1 0 245.370 3.164 10 30 BGEERO CCC[C@H]1C[C@@H]1NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000262412957 135295609 /nfs/dbraw/zinc/29/56/09/135295609.db2.gz LTWKSDNIZYEESZ-JSGCOSHPSA-N 1 0 245.370 3.164 10 30 BGEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000262412958 135295640 /nfs/dbraw/zinc/29/56/40/135295640.db2.gz LTWKSDNIZYEESZ-OCCSQVGLSA-N 1 0 245.370 3.164 10 30 BGEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000262412959 135295671 /nfs/dbraw/zinc/29/56/71/135295671.db2.gz LTWKSDNIZYEESZ-TZMCWYRMSA-N 1 0 245.370 3.164 10 30 BGEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(CC)c1 ZINC000262414690 135295350 /nfs/dbraw/zinc/29/53/50/135295350.db2.gz JSWLYTVTOMUOMC-TZMCWYRMSA-N 1 0 245.370 3.164 10 30 BGEERO [NH2+]=C(Nc1ccccc1)N[C@@H]1CCC12CCCC2 ZINC000263239790 135342147 /nfs/dbraw/zinc/34/21/47/135342147.db2.gz FXSDCBPCKARURG-CYBMUJFWSA-N 1 0 243.354 3.136 10 30 BGEERO [NH2+]=C(Nc1ccccc1)N[C@H]1CCC12CCCC2 ZINC000263239791 135341993 /nfs/dbraw/zinc/34/19/93/135341993.db2.gz FXSDCBPCKARURG-ZDUSSCGKSA-N 1 0 243.354 3.136 10 30 BGEERO CCC[N@H+](Cc1ccccc1)[C@H](C)CC#N ZINC000263902957 135361816 /nfs/dbraw/zinc/36/18/16/135361816.db2.gz DNULCDOHXYGSPM-CYBMUJFWSA-N 1 0 216.328 3.201 10 30 BGEERO CCC[N@H+](Cc1ccccc1)[C@@H](C)CC#N ZINC000263902959 135361612 /nfs/dbraw/zinc/36/16/12/135361612.db2.gz DNULCDOHXYGSPM-ZDUSSCGKSA-N 1 0 216.328 3.201 10 30 BGEERO C#CCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000271049490 166128527 /nfs/dbraw/zinc/12/85/27/166128527.db2.gz PGQFMSHWQLMYPC-GFCCVEGCSA-N 1 0 234.368 3.084 10 30 BGEERO C#CCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000271049492 166128409 /nfs/dbraw/zinc/12/84/09/166128409.db2.gz PGQFMSHWQLMYPC-LBPRGKRZSA-N 1 0 234.368 3.084 10 30 BGEERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271822391 388407131 /nfs/dbraw/zinc/40/71/31/388407131.db2.gz CQVFNTVCLLWKOK-DFBGVHRSSA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271822392 388406905 /nfs/dbraw/zinc/40/69/05/388406905.db2.gz CQVFNTVCLLWKOK-KCPJHIHWSA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271831664 388406353 /nfs/dbraw/zinc/40/63/53/388406353.db2.gz FCJYPHRRWLLFKZ-DFBGVHRSSA-N 1 0 228.339 3.397 10 30 BGEERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271831667 388406167 /nfs/dbraw/zinc/40/61/67/388406167.db2.gz FCJYPHRRWLLFKZ-KCPJHIHWSA-N 1 0 228.339 3.397 10 30 BGEERO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000274631279 135366912 /nfs/dbraw/zinc/36/69/12/135366912.db2.gz PALBUWGHJVKCAH-AXFHLTTASA-N 1 0 220.341 3.091 10 30 BGEERO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000274631280 135367402 /nfs/dbraw/zinc/36/74/02/135367402.db2.gz PALBUWGHJVKCAH-DCAQKATOSA-N 1 0 220.341 3.091 10 30 BGEERO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000274631282 135367579 /nfs/dbraw/zinc/36/75/79/135367579.db2.gz PALBUWGHJVKCAH-HBNTYKKESA-N 1 0 220.341 3.091 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000276346344 135367485 /nfs/dbraw/zinc/36/74/85/135367485.db2.gz VFKMNALIJDTIMO-OLZOCXBDSA-N 1 0 216.328 3.338 10 30 BGEERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000276346346 135367507 /nfs/dbraw/zinc/36/75/07/135367507.db2.gz VFKMNALIJDTIMO-STQMWFEESA-N 1 0 216.328 3.338 10 30 BGEERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278693853 388405779 /nfs/dbraw/zinc/40/57/79/388405779.db2.gz KPJLYYUGEKGNME-BPNCWPANSA-N 1 0 214.312 3.007 10 30 BGEERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000278693857 388756204 /nfs/dbraw/zinc/75/62/04/388756204.db2.gz KPJLYYUGEKGNME-DDTOSNHZSA-N 1 0 214.312 3.007 10 30 BGEERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278693860 171542804 /nfs/dbraw/zinc/54/28/04/171542804.db2.gz KPJLYYUGEKGNME-LEWSCRJBSA-N 1 0 214.312 3.007 10 30 BGEERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000278693864 388405971 /nfs/dbraw/zinc/40/59/71/388405971.db2.gz KPJLYYUGEKGNME-SWHYSGLUSA-N 1 0 214.312 3.007 10 30 BGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccco1 ZINC000286328765 135372698 /nfs/dbraw/zinc/37/26/98/135372698.db2.gz XWFHRLIOVJCYJQ-GRYCIOLGSA-N 1 0 205.301 3.285 10 30 BGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccco1 ZINC000286328768 135372688 /nfs/dbraw/zinc/37/26/88/135372688.db2.gz XWFHRLIOVJCYJQ-SDDRHHMPSA-N 1 0 205.301 3.285 10 30 BGEERO C=CCC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccco1 ZINC000286328771 135373020 /nfs/dbraw/zinc/37/30/20/135373020.db2.gz XWFHRLIOVJCYJQ-SRVKXCTJSA-N 1 0 205.301 3.285 10 30 BGEERO C=CCC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccco1 ZINC000286328773 135372911 /nfs/dbraw/zinc/37/29/11/135372911.db2.gz XWFHRLIOVJCYJQ-WOPDTQHZSA-N 1 0 205.301 3.285 10 30 BGEERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000300015697 386799077 /nfs/dbraw/zinc/79/90/77/386799077.db2.gz IPAIUFFYCMEMKQ-CYUUQNCZSA-N 1 0 232.371 3.261 10 30 BGEERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000300015698 386800242 /nfs/dbraw/zinc/80/02/42/386800242.db2.gz IPAIUFFYCMEMKQ-MHEUCROKSA-N 1 0 232.371 3.261 10 30 BGEERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000300015699 386799882 /nfs/dbraw/zinc/79/98/82/386799882.db2.gz IPAIUFFYCMEMKQ-MXAVVETBSA-N 1 0 232.371 3.261 10 30 BGEERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300062975 176052516 /nfs/dbraw/zinc/05/25/16/176052516.db2.gz PQXJLAIXXILILY-XQHKEYJVSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000300240403 528690958 /nfs/dbraw/zinc/69/09/58/528690958.db2.gz MNXWMIFZMRHBIA-CBBWQLFWSA-N 1 0 234.387 3.483 10 30 BGEERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000300240404 528690244 /nfs/dbraw/zinc/69/02/44/528690244.db2.gz MNXWMIFZMRHBIA-KBXIAJHMSA-N 1 0 234.387 3.483 10 30 BGEERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000300240405 528690152 /nfs/dbraw/zinc/69/01/52/528690152.db2.gz MNXWMIFZMRHBIA-QPSCCSFWSA-N 1 0 234.387 3.483 10 30 BGEERO CCCC[C@H](CC)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000300340228 387936292 /nfs/dbraw/zinc/93/62/92/387936292.db2.gz YDFUXKACGPBXEL-IHRRRGAJSA-N 1 0 222.376 3.485 10 30 BGEERO CCCC[C@H](CC)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300340229 387937585 /nfs/dbraw/zinc/93/75/85/387937585.db2.gz YDFUXKACGPBXEL-MELADBBJSA-N 1 0 222.376 3.485 10 30 BGEERO C#CCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000300393938 643450226 /nfs/dbraw/zinc/45/02/26/643450226.db2.gz ILQQMOAVTNZNQA-QLFBSQMISA-N 1 0 221.388 3.450 10 30 BGEERO C#CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000300393939 592509832 /nfs/dbraw/zinc/50/98/32/592509832.db2.gz ILQQMOAVTNZNQA-SOUVJXGZSA-N 1 0 221.388 3.450 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000300678264 347360661 /nfs/dbraw/zinc/36/06/61/347360661.db2.gz CBLNSCXNJJNRET-BARDWOONSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000300678265 347360312 /nfs/dbraw/zinc/36/03/12/347360312.db2.gz CBLNSCXNJJNRET-CBBWQLFWSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000300678266 347360737 /nfs/dbraw/zinc/36/07/37/347360737.db2.gz CBLNSCXNJJNRET-LXTVHRRPSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000300678267 347360508 /nfs/dbraw/zinc/36/05/08/347360508.db2.gz CBLNSCXNJJNRET-QPSCCSFWSA-N 1 0 234.387 3.485 10 30 BGEERO C#C[C@@H]([NH2+]CC1CCC(C)CC1)C(C)C ZINC000300822067 592520917 /nfs/dbraw/zinc/52/09/17/592520917.db2.gz BCVNMOLNAUJBAC-JXQTWKCFSA-N 1 0 207.361 3.060 10 30 BGEERO C#C[C@H]([NH2+]CC1CCC(C)CC1)C(C)C ZINC000300822068 592520760 /nfs/dbraw/zinc/52/07/60/592520760.db2.gz BCVNMOLNAUJBAC-RUXDESIVSA-N 1 0 207.361 3.060 10 30 BGEERO C=C(C)C[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300925831 363147511 /nfs/dbraw/zinc/14/75/11/363147511.db2.gz QGLHAAHHLDXWGT-NXEZZACHSA-N 1 0 203.276 3.105 10 30 BGEERO C=C(C)C[C@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300925833 363146963 /nfs/dbraw/zinc/14/69/63/363146963.db2.gz QGLHAAHHLDXWGT-UWVGGRQHSA-N 1 0 203.276 3.105 10 30 BGEERO C=C(C)C[C@@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300925835 363146973 /nfs/dbraw/zinc/14/69/73/363146973.db2.gz QGLHAAHHLDXWGT-VHSXEESVSA-N 1 0 203.276 3.105 10 30 BGEERO C=C(C)C[C@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300925838 363147215 /nfs/dbraw/zinc/14/72/15/363147215.db2.gz QGLHAAHHLDXWGT-ZJUUUORDSA-N 1 0 203.276 3.105 10 30 BGEERO C=CCOCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000301760975 526782202 /nfs/dbraw/zinc/78/22/02/526782202.db2.gz FCAGXINLIUMZMD-QLFBSQMISA-N 1 0 239.403 3.239 10 30 BGEERO C=CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000301760981 526782356 /nfs/dbraw/zinc/78/23/56/526782356.db2.gz FCAGXINLIUMZMD-RRFJBIMHSA-N 1 0 239.403 3.239 10 30 BGEERO C=CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000301760984 526782324 /nfs/dbraw/zinc/78/23/24/526782324.db2.gz FCAGXINLIUMZMD-SOUVJXGZSA-N 1 0 239.403 3.239 10 30 BGEERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000304335480 533813997 /nfs/dbraw/zinc/81/39/97/533813997.db2.gz DUXNYNYBHULDNM-AGIUHOORSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000304335482 533810564 /nfs/dbraw/zinc/81/05/64/533810564.db2.gz DUXNYNYBHULDNM-FRRDWIJNSA-N 1 0 222.376 3.483 10 30 BGEERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000304335484 533811374 /nfs/dbraw/zinc/81/13/74/533811374.db2.gz DUXNYNYBHULDNM-JHJVBQTASA-N 1 0 222.376 3.483 10 30 BGEERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000304335486 533812744 /nfs/dbraw/zinc/81/27/44/533812744.db2.gz DUXNYNYBHULDNM-UPJWGTAASA-N 1 0 222.376 3.483 10 30 BGEERO C=CC[C@@H]([NH3+])c1c(Cl)ccc(F)c1F ZINC000306191965 359019594 /nfs/dbraw/zinc/01/95/94/359019594.db2.gz PSGIDZTURHGOJJ-MRVPVSSYSA-N 1 0 217.646 3.194 10 30 BGEERO C=CC[C@H]([NH3+])c1c(Cl)ccc(F)c1F ZINC000306191967 359019571 /nfs/dbraw/zinc/01/95/71/359019571.db2.gz PSGIDZTURHGOJJ-QMMMGPOBSA-N 1 0 217.646 3.194 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000306194090 490629963 /nfs/dbraw/zinc/62/99/63/490629963.db2.gz UFOGFWDXOQLVMA-GHMZBOCLSA-N 1 0 207.342 3.201 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000306194100 490630004 /nfs/dbraw/zinc/63/00/04/490630004.db2.gz UFOGFWDXOQLVMA-WDEREUQCSA-N 1 0 207.342 3.201 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000306357737 359684223 /nfs/dbraw/zinc/68/42/23/359684223.db2.gz WGOUUVKYCBWJQY-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000306357738 343772061 /nfs/dbraw/zinc/77/20/61/343772061.db2.gz WGOUUVKYCBWJQY-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=C(Br)C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000306404863 359792437 /nfs/dbraw/zinc/79/24/37/359792437.db2.gz AAZUWAJIVZYZMD-GHMZBOCLSA-N 1 0 244.176 3.160 10 30 BGEERO CC[C@@H](C)[N@H+](Cc1ccccc1)C(C)(C)C=O ZINC000306536931 360401896 /nfs/dbraw/zinc/40/18/96/360401896.db2.gz IEAKHPQQTYVTTO-CYBMUJFWSA-N 1 0 233.355 3.265 10 30 BGEERO CC[C@H](C)[N@H+](Cc1ccccc1)C(C)(C)C=O ZINC000306536932 360402266 /nfs/dbraw/zinc/40/22/66/360402266.db2.gz IEAKHPQQTYVTTO-ZDUSSCGKSA-N 1 0 233.355 3.265 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000306716859 490646558 /nfs/dbraw/zinc/64/65/58/490646558.db2.gz UFOGFWDXOQLVMA-MNOVXSKESA-N 1 0 207.342 3.201 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000306716861 490646084 /nfs/dbraw/zinc/64/60/84/490646084.db2.gz UFOGFWDXOQLVMA-QWRGUYRKSA-N 1 0 207.342 3.201 10 30 BGEERO C=C(C)[C@@H]([NH2+]C)c1cc(F)ccc1Cl ZINC000306724604 350893831 /nfs/dbraw/zinc/89/38/31/350893831.db2.gz JCIISGFGADGNLW-LLVKDONJSA-N 1 0 213.683 3.316 10 30 BGEERO C=C(C)[C@H]([NH2+]C)c1cc(F)ccc1Cl ZINC000306724748 343885725 /nfs/dbraw/zinc/88/57/25/343885725.db2.gz JCIISGFGADGNLW-NSHDSACASA-N 1 0 213.683 3.316 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1c(C)cccc1Br ZINC000306727591 350898795 /nfs/dbraw/zinc/89/87/95/350898795.db2.gz MUSOXIYVRUNHKY-LLVKDONJSA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)[C@H]([NH3+])c1c(C)cccc1Br ZINC000306727592 350898767 /nfs/dbraw/zinc/89/87/67/350898767.db2.gz MUSOXIYVRUNHKY-NSHDSACASA-N 1 0 240.144 3.333 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000306729917 350899221 /nfs/dbraw/zinc/89/92/21/350899221.db2.gz KWCADJABKYPPHA-JTQLQIEISA-N 1 0 211.692 3.012 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(Cl)ccc1O ZINC000306732725 350902680 /nfs/dbraw/zinc/90/26/80/350902680.db2.gz MOMOPAWFZBMYMP-JTQLQIEISA-N 1 0 211.692 3.012 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000306743082 350932424 /nfs/dbraw/zinc/93/24/24/350932424.db2.gz WOBGLVLISGTVTP-VIFPVBQESA-N 1 0 231.126 3.354 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000306746571 343880404 /nfs/dbraw/zinc/88/04/04/343880404.db2.gz BTWDIHAFXMQTSJ-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(Cl)ccc1O ZINC000306849058 386024924 /nfs/dbraw/zinc/02/49/24/386024924.db2.gz MOMOPAWFZBMYMP-SNVBAGLBSA-N 1 0 211.692 3.012 10 30 BGEERO C=CCCC[NH2+][C@@H](C)COCc1ccccc1 ZINC000307068169 351463326 /nfs/dbraw/zinc/46/33/26/351463326.db2.gz BUFQAYGQHAXNRX-AWEZNQCLSA-N 1 0 233.355 3.148 10 30 BGEERO C=CCCC[NH2+][C@H](C)COCc1ccccc1 ZINC000307068171 351463543 /nfs/dbraw/zinc/46/35/43/351463543.db2.gz BUFQAYGQHAXNRX-CQSZACIVSA-N 1 0 233.355 3.148 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000307099061 351477650 /nfs/dbraw/zinc/47/76/50/351477650.db2.gz WOBGLVLISGTVTP-SECBINFHSA-N 1 0 231.126 3.354 10 30 BGEERO C=C(Br)CNc1[nH+]cc(C)cc1C ZINC000307168613 351542612 /nfs/dbraw/zinc/54/26/12/351542612.db2.gz VQSYYLAOVJAPSN-UHFFFAOYSA-N 1 0 241.132 3.019 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000307173570 343916210 /nfs/dbraw/zinc/91/62/10/343916210.db2.gz RVKMLMGTPMFQTM-MRVPVSSYSA-N 1 0 231.126 3.354 10 30 BGEERO C=C(Br)C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000307233868 351700718 /nfs/dbraw/zinc/70/07/18/351700718.db2.gz DHPTZJLPKNZENI-SCZZXKLOSA-N 1 0 232.165 3.015 10 30 BGEERO C=C(Cl)CNc1cc[nH+]c(C)c1Cl ZINC000307292567 351903070 /nfs/dbraw/zinc/90/30/70/351903070.db2.gz LYFLSEVUFFQLQG-UHFFFAOYSA-N 1 0 217.099 3.208 10 30 BGEERO C=C(Br)CNc1cc(C)[nH+]c(C)c1 ZINC000307368909 343932645 /nfs/dbraw/zinc/93/26/45/343932645.db2.gz NMIJJBVUJXKVOE-UHFFFAOYSA-N 1 0 241.132 3.019 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000307382901 352503491 /nfs/dbraw/zinc/50/34/91/352503491.db2.gz BTWDIHAFXMQTSJ-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=C[C@H]([NH2+]C)c1ccc2sccc2c1 ZINC000307423479 386651677 /nfs/dbraw/zinc/65/16/77/386651677.db2.gz UUJYRZRKNJDFIN-NSHDSACASA-N 1 0 203.310 3.348 10 30 BGEERO C=C[C@H]([NH2+]C)c1c(C)cccc1Br ZINC000307427101 352593388 /nfs/dbraw/zinc/59/33/88/352593388.db2.gz YGSRQTCHOPPOCK-JTQLQIEISA-N 1 0 240.144 3.204 10 30 BGEERO C=C[C@@H]([NH2+]C)c1c(C)cccc1Br ZINC000307427102 352593310 /nfs/dbraw/zinc/59/33/10/352593310.db2.gz YGSRQTCHOPPOCK-SNVBAGLBSA-N 1 0 240.144 3.204 10 30 BGEERO C=C(Br)C[N@H+]1CC2(CCC2)C[C@@H]1C ZINC000307642949 643559595 /nfs/dbraw/zinc/55/95/95/643559595.db2.gz KYAKGVRAMRTPSV-JTQLQIEISA-N 1 0 244.176 3.160 10 30 BGEERO C=C(Br)C[N@H+]1CC2(CCC2)C[C@H]1C ZINC000307642950 643559708 /nfs/dbraw/zinc/55/97/08/643559708.db2.gz KYAKGVRAMRTPSV-SNVBAGLBSA-N 1 0 244.176 3.160 10 30 BGEERO C=C(C(F)(F)F)[C@@]1(C)CCCCC[NH2+]1 ZINC000307744577 353123621 /nfs/dbraw/zinc/12/36/21/353123621.db2.gz PGVFVYHBWKHEAM-SECBINFHSA-N 1 0 207.239 3.027 10 30 BGEERO C=C(C(F)(F)F)[C@]1(C)CCCCC[NH2+]1 ZINC000307744578 356696873 /nfs/dbraw/zinc/69/68/73/356696873.db2.gz PGVFVYHBWKHEAM-VIFPVBQESA-N 1 0 207.239 3.027 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000308560415 346883659 /nfs/dbraw/zinc/88/36/59/346883659.db2.gz DWMBFXKCMYFUTG-LLVKDONJSA-N 1 0 213.683 3.445 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000308560416 342853861 /nfs/dbraw/zinc/85/38/61/342853861.db2.gz DWMBFXKCMYFUTG-NSHDSACASA-N 1 0 213.683 3.445 10 30 BGEERO CC(C)c1ccc(C(=N[N+]#N)NO)cc1 ZINC000308673586 537966742 /nfs/dbraw/zinc/96/67/42/537966742.db2.gz BWQWUNILOAFFGJ-RAXLEYEMSA-N 1 0 204.233 3.256 10 30 BGEERO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308889492 384392176 /nfs/dbraw/zinc/39/21/76/384392176.db2.gz WAEQQFNAPBOHMI-CHWSQXEVSA-N 1 0 213.340 3.461 10 30 BGEERO C=CCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308889493 527171382 /nfs/dbraw/zinc/17/13/82/527171382.db2.gz WAEQQFNAPBOHMI-OLZOCXBDSA-N 1 0 213.340 3.461 10 30 BGEERO C=CCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308889494 527169977 /nfs/dbraw/zinc/16/99/77/527169977.db2.gz WAEQQFNAPBOHMI-QWHCGFSZSA-N 1 0 213.340 3.461 10 30 BGEERO C=CCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308889495 398251220 /nfs/dbraw/zinc/25/12/20/398251220.db2.gz WAEQQFNAPBOHMI-STQMWFEESA-N 1 0 213.340 3.461 10 30 BGEERO C#CCCCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000308913845 632421641 /nfs/dbraw/zinc/42/16/41/632421641.db2.gz FISBQVJCYCJINF-KBPBESRZSA-N 1 0 207.361 3.348 10 30 BGEERO C#CCCCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000308913847 632420121 /nfs/dbraw/zinc/42/01/21/632420121.db2.gz FISBQVJCYCJINF-KGLIPLIRSA-N 1 0 207.361 3.348 10 30 BGEERO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000308913848 632421406 /nfs/dbraw/zinc/42/14/06/632421406.db2.gz FISBQVJCYCJINF-UONOGXRCSA-N 1 0 207.361 3.348 10 30 BGEERO C#CCCCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000308913850 632420786 /nfs/dbraw/zinc/42/07/86/632420786.db2.gz FISBQVJCYCJINF-ZIAGYGMSSA-N 1 0 207.361 3.348 10 30 BGEERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000308963190 385316552 /nfs/dbraw/zinc/31/65/52/385316552.db2.gz STBKOGPBSJUPDD-CHWSQXEVSA-N 1 0 208.349 3.239 10 30 BGEERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000308963191 385316247 /nfs/dbraw/zinc/31/62/47/385316247.db2.gz STBKOGPBSJUPDD-OLZOCXBDSA-N 1 0 208.349 3.239 10 30 BGEERO CCC[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000308963192 385316423 /nfs/dbraw/zinc/31/64/23/385316423.db2.gz STBKOGPBSJUPDD-QWHCGFSZSA-N 1 0 208.349 3.239 10 30 BGEERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000308963193 385315435 /nfs/dbraw/zinc/31/54/35/385315435.db2.gz STBKOGPBSJUPDD-STQMWFEESA-N 1 0 208.349 3.239 10 30 BGEERO C=CC[C@H](CC)[NH2+]CCc1ccccc1 ZINC000308963955 632594128 /nfs/dbraw/zinc/59/41/28/632594128.db2.gz UAIZZMNTUSGDSE-AWEZNQCLSA-N 1 0 203.329 3.173 10 30 BGEERO C=CC[C@@H](CC)[NH2+]CCc1ccccc1 ZINC000308963956 631770764 /nfs/dbraw/zinc/77/07/64/631770764.db2.gz UAIZZMNTUSGDSE-CQSZACIVSA-N 1 0 203.329 3.173 10 30 BGEERO C=C(C)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000308997120 526626567 /nfs/dbraw/zinc/62/65/67/526626567.db2.gz MVRPDAJTCGNKPS-NSHDSACASA-N 1 0 207.292 3.361 10 30 BGEERO CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309014506 385369698 /nfs/dbraw/zinc/36/96/98/385369698.db2.gz TWQAZDFAPJSKKR-NEPJUHHUSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309014507 385368326 /nfs/dbraw/zinc/36/83/26/385368326.db2.gz TWQAZDFAPJSKKR-NWDGAFQWSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000309014508 385369179 /nfs/dbraw/zinc/36/91/79/385369179.db2.gz TWQAZDFAPJSKKR-RYUDHWBXSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309014509 385369142 /nfs/dbraw/zinc/36/91/42/385369142.db2.gz TWQAZDFAPJSKKR-VXGBXAGGSA-N 1 0 208.349 3.095 10 30 BGEERO C=CCCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000309057497 346959095 /nfs/dbraw/zinc/95/90/95/346959095.db2.gz UBFGJVBJVSOSLV-CHWSQXEVSA-N 1 0 206.333 3.015 10 30 BGEERO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000309068303 631830382 /nfs/dbraw/zinc/83/03/82/631830382.db2.gz AMHLRLJSDOXMHG-YNEHKIRRSA-N 1 0 215.381 3.094 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000309119479 491145140 /nfs/dbraw/zinc/14/51/40/491145140.db2.gz MZMGODKSQMDUHP-CMPLNLGQSA-N 1 0 205.301 3.041 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309119480 491145104 /nfs/dbraw/zinc/14/51/04/491145104.db2.gz MZMGODKSQMDUHP-JQWIXIFHSA-N 1 0 205.301 3.041 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309119481 491145097 /nfs/dbraw/zinc/14/50/97/491145097.db2.gz MZMGODKSQMDUHP-PWSUYJOCSA-N 1 0 205.301 3.041 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000309119482 491145173 /nfs/dbraw/zinc/14/51/73/491145173.db2.gz MZMGODKSQMDUHP-ZYHUDNBSSA-N 1 0 205.301 3.041 10 30 BGEERO C=CCSCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000309187074 385201372 /nfs/dbraw/zinc/20/13/72/385201372.db2.gz PAGKVTWGBAFEQG-CHWSQXEVSA-N 1 0 227.417 3.464 10 30 BGEERO C=CCSCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000309187075 385200569 /nfs/dbraw/zinc/20/05/69/385200569.db2.gz PAGKVTWGBAFEQG-OLZOCXBDSA-N 1 0 227.417 3.464 10 30 BGEERO C=CCSCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000309187076 385200739 /nfs/dbraw/zinc/20/07/39/385200739.db2.gz PAGKVTWGBAFEQG-QWHCGFSZSA-N 1 0 227.417 3.464 10 30 BGEERO C=CCSCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000309187077 385200406 /nfs/dbraw/zinc/20/04/06/385200406.db2.gz PAGKVTWGBAFEQG-STQMWFEESA-N 1 0 227.417 3.464 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309194630 385458854 /nfs/dbraw/zinc/45/88/54/385458854.db2.gz QHEXVBAOABOFEW-AGIUHOORSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309194631 385459394 /nfs/dbraw/zinc/45/93/94/385459394.db2.gz QHEXVBAOABOFEW-AVGNSLFASA-N 1 0 206.333 3.013 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309194632 385458820 /nfs/dbraw/zinc/45/88/20/385458820.db2.gz QHEXVBAOABOFEW-FRRDWIJNSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309194633 385459600 /nfs/dbraw/zinc/45/96/00/385459600.db2.gz QHEXVBAOABOFEW-RWMBFGLXSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCCCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000309208640 633864124 /nfs/dbraw/zinc/86/41/24/633864124.db2.gz NDFTXWVEVXBLLJ-CYBMUJFWSA-N 1 0 227.392 3.120 10 30 BGEERO C=CCCCCCC[NH2+]C[C@H](O)C(C)(C)C ZINC000309208641 633864538 /nfs/dbraw/zinc/86/45/38/633864538.db2.gz NDFTXWVEVXBLLJ-ZDUSSCGKSA-N 1 0 227.392 3.120 10 30 BGEERO C=CCCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000309235103 632830379 /nfs/dbraw/zinc/83/03/79/632830379.db2.gz UXJFLPBWDKDKKL-ZIAGYGMSSA-N 1 0 225.376 3.016 10 30 BGEERO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000309577158 633206536 /nfs/dbraw/zinc/20/65/36/633206536.db2.gz PGCUWKUDIKIDGF-BFHYXJOUSA-N 1 0 225.376 3.278 10 30 BGEERO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000309577159 633206883 /nfs/dbraw/zinc/20/68/83/633206883.db2.gz PGCUWKUDIKIDGF-IHRRRGAJSA-N 1 0 225.376 3.278 10 30 BGEERO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000309577160 633958037 /nfs/dbraw/zinc/95/80/37/633958037.db2.gz PGCUWKUDIKIDGF-MELADBBJSA-N 1 0 225.376 3.278 10 30 BGEERO C=CCCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000309577161 633206929 /nfs/dbraw/zinc/20/69/29/633206929.db2.gz PGCUWKUDIKIDGF-MJBXVCDLSA-N 1 0 225.376 3.278 10 30 BGEERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309589001 632550030 /nfs/dbraw/zinc/55/00/30/632550030.db2.gz UAPXYKRTTMLGKH-GRYCIOLGSA-N 1 0 240.416 3.188 10 30 BGEERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309589002 633961296 /nfs/dbraw/zinc/96/12/96/633961296.db2.gz UAPXYKRTTMLGKH-IJLUTSLNSA-N 1 0 240.416 3.188 10 30 BGEERO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309589003 633961945 /nfs/dbraw/zinc/96/19/45/633961945.db2.gz UAPXYKRTTMLGKH-UTUOFQBUSA-N 1 0 240.416 3.188 10 30 BGEERO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309589004 633962259 /nfs/dbraw/zinc/96/22/59/633962259.db2.gz UAPXYKRTTMLGKH-WOPDTQHZSA-N 1 0 240.416 3.188 10 30 BGEERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309614933 384168876 /nfs/dbraw/zinc/16/88/76/384168876.db2.gz BLGONEYXXBXMRK-DGAVXFQQSA-N 1 0 220.360 3.237 10 30 BGEERO CC(C)CSCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309664804 347130754 /nfs/dbraw/zinc/13/07/54/347130754.db2.gz HFLQRZOOZZUMGZ-CHWSQXEVSA-N 1 0 240.416 3.048 10 30 BGEERO CC(C)CSCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309664807 347130663 /nfs/dbraw/zinc/13/06/63/347130663.db2.gz HFLQRZOOZZUMGZ-OLZOCXBDSA-N 1 0 240.416 3.048 10 30 BGEERO CC(C)CSCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309664810 347130767 /nfs/dbraw/zinc/13/07/67/347130767.db2.gz HFLQRZOOZZUMGZ-QWHCGFSZSA-N 1 0 240.416 3.048 10 30 BGEERO CC(C)CSCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000309664813 347130855 /nfs/dbraw/zinc/13/08/55/347130855.db2.gz HFLQRZOOZZUMGZ-STQMWFEESA-N 1 0 240.416 3.048 10 30 BGEERO Cc1cc(C[NH2+][C@H](C)C(C)C)ccc1C#N ZINC000309709978 178037411 /nfs/dbraw/zinc/03/74/11/178037411.db2.gz WSHIAYSIDKQLKE-GFCCVEGCSA-N 1 0 216.328 3.001 10 30 BGEERO Cc1cc(C[NH2+][C@@H](C)C(C)C)ccc1C#N ZINC000309709980 178028803 /nfs/dbraw/zinc/02/88/03/178028803.db2.gz WSHIAYSIDKQLKE-LBPRGKRZSA-N 1 0 216.328 3.001 10 30 BGEERO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309714262 384213901 /nfs/dbraw/zinc/21/39/01/384213901.db2.gz SAKZBGJPNCATRP-FQUUOJAGSA-N 1 0 222.376 3.483 10 30 BGEERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309714263 384214133 /nfs/dbraw/zinc/21/41/33/384214133.db2.gz SAKZBGJPNCATRP-IGQOVBAYSA-N 1 0 222.376 3.483 10 30 BGEERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309714264 384213421 /nfs/dbraw/zinc/21/34/21/384213421.db2.gz SAKZBGJPNCATRP-XDQVBPFNSA-N 1 0 222.376 3.483 10 30 BGEERO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309714265 384213246 /nfs/dbraw/zinc/21/32/46/384213246.db2.gz SAKZBGJPNCATRP-XUXIUFHCSA-N 1 0 222.376 3.483 10 30 BGEERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309742926 388462852 /nfs/dbraw/zinc/46/28/52/388462852.db2.gz IGQLIZIHDJDKFY-BFHYXJOUSA-N 1 0 220.360 3.403 10 30 BGEERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000309742927 388463011 /nfs/dbraw/zinc/46/30/11/388463011.db2.gz IGQLIZIHDJDKFY-IHRRRGAJSA-N 1 0 220.360 3.403 10 30 BGEERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000309742928 388463112 /nfs/dbraw/zinc/46/31/12/388463112.db2.gz IGQLIZIHDJDKFY-MELADBBJSA-N 1 0 220.360 3.403 10 30 BGEERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000309742929 388462981 /nfs/dbraw/zinc/46/29/81/388462981.db2.gz IGQLIZIHDJDKFY-MJBXVCDLSA-N 1 0 220.360 3.403 10 30 BGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309801530 347168789 /nfs/dbraw/zinc/16/87/89/347168789.db2.gz WOBZXQVBJLEVGQ-DLOVCJGASA-N 1 0 222.332 3.234 10 30 BGEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000309801531 384621450 /nfs/dbraw/zinc/62/14/50/384621450.db2.gz WOBZXQVBJLEVGQ-MVWJERBFSA-N 1 0 222.332 3.234 10 30 BGEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309801532 384623558 /nfs/dbraw/zinc/62/35/58/384623558.db2.gz WOBZXQVBJLEVGQ-WCQGTBRESA-N 1 0 222.332 3.234 10 30 BGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000309801533 384843337 /nfs/dbraw/zinc/84/33/37/384843337.db2.gz WOBZXQVBJLEVGQ-ZMLRMANQSA-N 1 0 222.332 3.234 10 30 BGEERO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000310039611 384599160 /nfs/dbraw/zinc/59/91/60/384599160.db2.gz XDHZKCQUXUMKEO-KBPBESRZSA-N 1 0 225.376 3.138 10 30 BGEERO C=C(C)COCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000310039612 384596605 /nfs/dbraw/zinc/59/66/05/384596605.db2.gz XDHZKCQUXUMKEO-KGLIPLIRSA-N 1 0 225.376 3.138 10 30 BGEERO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000310039613 384599061 /nfs/dbraw/zinc/59/90/61/384599061.db2.gz XDHZKCQUXUMKEO-UONOGXRCSA-N 1 0 225.376 3.138 10 30 BGEERO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000310039614 384598958 /nfs/dbraw/zinc/59/89/58/384598958.db2.gz XDHZKCQUXUMKEO-ZIAGYGMSSA-N 1 0 225.376 3.138 10 30 BGEERO C=CCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000310164488 358443704 /nfs/dbraw/zinc/44/37/04/358443704.db2.gz NFPZTJYALDFYKE-LLVKDONJSA-N 1 0 235.375 3.137 10 30 BGEERO C=CCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000310164489 358443718 /nfs/dbraw/zinc/44/37/18/358443718.db2.gz NFPZTJYALDFYKE-NSHDSACASA-N 1 0 235.375 3.137 10 30 BGEERO C=CCC(C)(C)C[NH2+]CCc1ccccc1 ZINC000310517459 636260953 /nfs/dbraw/zinc/26/09/53/636260953.db2.gz VTBDTWMCSXLONY-UHFFFAOYSA-N 1 0 217.356 3.421 10 30 BGEERO C#CCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312588398 641430906 /nfs/dbraw/zinc/43/09/06/641430906.db2.gz UKRMMSDKWYSUBX-UHFFFAOYSA-N 1 0 234.151 3.168 10 30 BGEERO CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000313468589 370588861 /nfs/dbraw/zinc/58/88/61/370588861.db2.gz DZZLTYKVTMKYJG-CHWSQXEVSA-N 1 0 222.376 3.485 10 30 BGEERO CC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000313468593 370589002 /nfs/dbraw/zinc/58/90/02/370589002.db2.gz DZZLTYKVTMKYJG-OLZOCXBDSA-N 1 0 222.376 3.485 10 30 BGEERO CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000313468596 370588664 /nfs/dbraw/zinc/58/86/64/370588664.db2.gz DZZLTYKVTMKYJG-QWHCGFSZSA-N 1 0 222.376 3.485 10 30 BGEERO CC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000313468600 370588872 /nfs/dbraw/zinc/58/88/72/370588872.db2.gz DZZLTYKVTMKYJG-STQMWFEESA-N 1 0 222.376 3.485 10 30 BGEERO C=C(CC)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000313507330 384434903 /nfs/dbraw/zinc/43/49/03/384434903.db2.gz USYRYVFQPKHWTG-LLVKDONJSA-N 1 0 235.375 3.137 10 30 BGEERO C=C(CC)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000313507331 384434855 /nfs/dbraw/zinc/43/48/55/384434855.db2.gz USYRYVFQPKHWTG-NSHDSACASA-N 1 0 235.375 3.137 10 30 BGEERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322274605 343978583 /nfs/dbraw/zinc/97/85/83/343978583.db2.gz LPUFJRPSLLRFCY-HZSPNIEDSA-N 1 0 220.360 3.237 10 30 BGEERO CCC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322274606 343978333 /nfs/dbraw/zinc/97/83/33/343978333.db2.gz LPUFJRPSLLRFCY-IHRRRGAJSA-N 1 0 220.360 3.237 10 30 BGEERO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322274607 343978532 /nfs/dbraw/zinc/97/85/32/343978532.db2.gz LPUFJRPSLLRFCY-MELADBBJSA-N 1 0 220.360 3.237 10 30 BGEERO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322274608 343978285 /nfs/dbraw/zinc/97/82/85/343978285.db2.gz LPUFJRPSLLRFCY-RDBSUJKOSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000324993108 350312999 /nfs/dbraw/zinc/31/29/99/350312999.db2.gz WEIJYZJUWPMYQR-HZSPNIEDSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000324993109 350312953 /nfs/dbraw/zinc/31/29/53/350312953.db2.gz WEIJYZJUWPMYQR-IHRRRGAJSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000324993110 350312819 /nfs/dbraw/zinc/31/28/19/350312819.db2.gz WEIJYZJUWPMYQR-MELADBBJSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000324993111 350313102 /nfs/dbraw/zinc/31/31/02/350313102.db2.gz WEIJYZJUWPMYQR-RDBSUJKOSA-N 1 0 220.360 3.237 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328216014 324254597 /nfs/dbraw/zinc/25/45/97/324254597.db2.gz YAYDZJVMARFXTR-BFHYXJOUSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328216015 324254544 /nfs/dbraw/zinc/25/45/44/324254544.db2.gz YAYDZJVMARFXTR-IHRRRGAJSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000328216016 324254848 /nfs/dbraw/zinc/25/48/48/324254848.db2.gz YAYDZJVMARFXTR-MELADBBJSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000328216017 324254506 /nfs/dbraw/zinc/25/45/06/324254506.db2.gz YAYDZJVMARFXTR-MJBXVCDLSA-N 1 0 232.371 3.381 10 30 BGEERO CC(C)(C#N)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328270580 350396028 /nfs/dbraw/zinc/39/60/28/350396028.db2.gz PJBRYMYILUOVRC-UHFFFAOYSA-N 1 0 246.398 3.341 10 30 BGEERO CC1(C#N)CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000334560763 136749394 /nfs/dbraw/zinc/74/93/94/136749394.db2.gz SJEKULOUMDONCU-LLVKDONJSA-N 1 0 242.313 3.047 10 30 BGEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335284926 136001980 /nfs/dbraw/zinc/00/19/80/136001980.db2.gz NRXMOZVMQRJXMQ-NEPJUHHUSA-N 1 0 242.313 3.094 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335284927 136001943 /nfs/dbraw/zinc/00/19/43/136001943.db2.gz NRXMOZVMQRJXMQ-NWDGAFQWSA-N 1 0 242.313 3.094 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335284928 136002245 /nfs/dbraw/zinc/00/22/45/136002245.db2.gz NRXMOZVMQRJXMQ-RYUDHWBXSA-N 1 0 242.313 3.094 10 30 BGEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335284929 136002097 /nfs/dbraw/zinc/00/20/97/136002097.db2.gz NRXMOZVMQRJXMQ-VXGBXAGGSA-N 1 0 242.313 3.094 10 30 BGEERO C=C1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336188937 134122484 /nfs/dbraw/zinc/12/24/84/134122484.db2.gz OEDUHPZOZQLEIR-LLVKDONJSA-N 1 0 215.287 3.074 10 30 BGEERO C=C1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336188938 134122496 /nfs/dbraw/zinc/12/24/96/134122496.db2.gz OEDUHPZOZQLEIR-NSHDSACASA-N 1 0 215.287 3.074 10 30 BGEERO CC[C@@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000336659190 384685076 /nfs/dbraw/zinc/68/50/76/384685076.db2.gz BMUJPJKKYRPVTC-LLVKDONJSA-N 1 0 208.349 3.095 10 30 BGEERO CC[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000336659192 388081931 /nfs/dbraw/zinc/08/19/31/388081931.db2.gz BMUJPJKKYRPVTC-NSHDSACASA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336664582 350425865 /nfs/dbraw/zinc/42/58/65/350425865.db2.gz FXWUIRZGSYBJBZ-CHWSQXEVSA-N 1 0 220.360 3.191 10 30 BGEERO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336664586 350425886 /nfs/dbraw/zinc/42/58/86/350425886.db2.gz FXWUIRZGSYBJBZ-OLZOCXBDSA-N 1 0 220.360 3.191 10 30 BGEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336664589 350425757 /nfs/dbraw/zinc/42/57/57/350425757.db2.gz FXWUIRZGSYBJBZ-QWHCGFSZSA-N 1 0 220.360 3.191 10 30 BGEERO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336664592 350425469 /nfs/dbraw/zinc/42/54/69/350425469.db2.gz FXWUIRZGSYBJBZ-STQMWFEESA-N 1 0 220.360 3.191 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000336671878 386815069 /nfs/dbraw/zinc/81/50/69/386815069.db2.gz ASRDVHSZAUISIC-NEPJUHHUSA-N 1 0 222.332 3.378 10 30 BGEERO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000336671882 386815234 /nfs/dbraw/zinc/81/52/34/386815234.db2.gz ASRDVHSZAUISIC-NWDGAFQWSA-N 1 0 222.332 3.378 10 30 BGEERO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000336671883 386814578 /nfs/dbraw/zinc/81/45/78/386814578.db2.gz ASRDVHSZAUISIC-RYUDHWBXSA-N 1 0 222.332 3.378 10 30 BGEERO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000336671884 386814680 /nfs/dbraw/zinc/81/46/80/386814680.db2.gz ASRDVHSZAUISIC-VXGBXAGGSA-N 1 0 222.332 3.378 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000336722028 134870059 /nfs/dbraw/zinc/87/00/59/134870059.db2.gz DRILFEXWMPBJPM-GHMZBOCLSA-N 1 0 222.376 3.339 10 30 BGEERO CC[C@@H](CC#N)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000336722030 385230317 /nfs/dbraw/zinc/23/03/17/385230317.db2.gz DRILFEXWMPBJPM-MNOVXSKESA-N 1 0 222.376 3.339 10 30 BGEERO CC[C@@H](CC#N)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000336722033 535726171 /nfs/dbraw/zinc/72/61/71/535726171.db2.gz DRILFEXWMPBJPM-QWRGUYRKSA-N 1 0 222.376 3.339 10 30 BGEERO CC[C@H](CC#N)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000336722039 388469021 /nfs/dbraw/zinc/46/90/21/388469021.db2.gz DRILFEXWMPBJPM-WDEREUQCSA-N 1 0 222.376 3.339 10 30 BGEERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336729550 134915280 /nfs/dbraw/zinc/91/52/80/134915280.db2.gz HTAYELXYDZSWAS-CHWSQXEVSA-N 1 0 220.360 3.239 10 30 BGEERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336729551 386125746 /nfs/dbraw/zinc/12/57/46/386125746.db2.gz HTAYELXYDZSWAS-OLZOCXBDSA-N 1 0 220.360 3.239 10 30 BGEERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336729552 386125952 /nfs/dbraw/zinc/12/59/52/386125952.db2.gz HTAYELXYDZSWAS-QWHCGFSZSA-N 1 0 220.360 3.239 10 30 BGEERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336729553 386126497 /nfs/dbraw/zinc/12/64/97/386126497.db2.gz HTAYELXYDZSWAS-STQMWFEESA-N 1 0 220.360 3.239 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000336735046 134917860 /nfs/dbraw/zinc/91/78/60/134917860.db2.gz NXVKAHRZDCLMMK-AGIUHOORSA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000336735047 535946491 /nfs/dbraw/zinc/94/64/91/535946491.db2.gz NXVKAHRZDCLMMK-AVGNSLFASA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000336735048 351903539 /nfs/dbraw/zinc/90/35/39/351903539.db2.gz NXVKAHRZDCLMMK-UPJWGTAASA-N 1 0 208.349 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000336735049 347066114 /nfs/dbraw/zinc/06/61/14/347066114.db2.gz NXVKAHRZDCLMMK-XQQFMLRXSA-N 1 0 208.349 3.093 10 30 BGEERO C=CCSCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336738222 385834997 /nfs/dbraw/zinc/83/49/97/385834997.db2.gz QXGXKTHHLWMSLJ-NEPJUHHUSA-N 1 0 231.380 3.024 10 30 BGEERO C=CCSCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336738223 134919521 /nfs/dbraw/zinc/91/95/21/134919521.db2.gz QXGXKTHHLWMSLJ-NWDGAFQWSA-N 1 0 231.380 3.024 10 30 BGEERO C=CCSCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336738224 385834718 /nfs/dbraw/zinc/83/47/18/385834718.db2.gz QXGXKTHHLWMSLJ-RYUDHWBXSA-N 1 0 231.380 3.024 10 30 BGEERO C=CCSCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336738225 385835337 /nfs/dbraw/zinc/83/53/37/385835337.db2.gz QXGXKTHHLWMSLJ-VXGBXAGGSA-N 1 0 231.380 3.024 10 30 BGEERO C=CCC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000336742533 352457501 /nfs/dbraw/zinc/45/75/01/352457501.db2.gz OIIKXSYYCORLFJ-AVGNSLFASA-N 1 0 225.376 3.134 10 30 BGEERO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336742534 352457134 /nfs/dbraw/zinc/45/71/34/352457134.db2.gz OIIKXSYYCORLFJ-FQUUOJAGSA-N 1 0 225.376 3.134 10 30 BGEERO C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336742535 352457778 /nfs/dbraw/zinc/45/77/78/352457778.db2.gz OIIKXSYYCORLFJ-YIYPIFLZSA-N 1 0 225.376 3.134 10 30 BGEERO C=CCC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336742536 134923185 /nfs/dbraw/zinc/92/31/85/134923185.db2.gz OIIKXSYYCORLFJ-YNEHKIRRSA-N 1 0 225.376 3.134 10 30 BGEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000336743825 352677433 /nfs/dbraw/zinc/67/74/33/352677433.db2.gz PQDPLJRHUQWLJO-GHMZBOCLSA-N 1 0 222.307 3.226 10 30 BGEERO C=CCC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000336743828 352677272 /nfs/dbraw/zinc/67/72/72/352677272.db2.gz PQDPLJRHUQWLJO-WDEREUQCSA-N 1 0 222.307 3.226 10 30 BGEERO C[C@@H]1C[C@H]([NH2+]CCCC#N)CC(C)(C)C1 ZINC000336754196 353138130 /nfs/dbraw/zinc/13/81/30/353138130.db2.gz IAWNJFVHMZEXHT-NEPJUHHUSA-N 1 0 208.349 3.095 10 30 BGEERO C[C@@H]1C[C@@H]([NH2+]CCCC#N)CC(C)(C)C1 ZINC000336754200 134934084 /nfs/dbraw/zinc/93/40/84/134934084.db2.gz IAWNJFVHMZEXHT-VXGBXAGGSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)C1([NH2+]CCCC(C)(C)C#N)CC1 ZINC000339509741 135074678 /nfs/dbraw/zinc/07/46/78/135074678.db2.gz OPSTWOWQRMGJNM-UHFFFAOYSA-N 1 0 208.349 3.095 10 30 BGEERO CC(C)C1([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000339514663 365464886 /nfs/dbraw/zinc/46/48/86/365464886.db2.gz CMQFJEGNZDDGIJ-UHFFFAOYSA-N 1 0 228.339 3.031 10 30 BGEERO CC(C)C1([NH2+]Cc2ccc(C#N)cc2Cl)CC1 ZINC000339515373 166752029 /nfs/dbraw/zinc/75/20/29/166752029.db2.gz FTMZCFJJVRGWBM-UHFFFAOYSA-N 1 0 248.757 3.490 10 30 BGEERO N#CCCCC[NH+]1CCC(c2nccs2)CC1 ZINC000368874396 134220586 /nfs/dbraw/zinc/22/05/86/134220586.db2.gz GHAXOHRBPNDNPX-UHFFFAOYSA-N 1 0 249.383 3.016 10 30 BGEERO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000378676010 712357115 /nfs/dbraw/zinc/35/71/15/712357115.db2.gz PGCUWKUDIKIDGF-MGPQQGTHSA-N 1 0 225.376 3.278 10 30 BGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378740739 385485036 /nfs/dbraw/zinc/48/50/36/385485036.db2.gz PAOHFIRTUSUEJL-QSLWVIQJSA-N 1 0 207.361 3.365 10 30 BGEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1CCC ZINC000379393985 712381272 /nfs/dbraw/zinc/38/12/72/712381272.db2.gz WENTXUIXUWKWPF-GHMZBOCLSA-N 1 0 201.741 3.297 10 30 BGEERO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1CCC ZINC000379393986 711801172 /nfs/dbraw/zinc/80/11/72/711801172.db2.gz WENTXUIXUWKWPF-MNOVXSKESA-N 1 0 201.741 3.297 10 30 BGEERO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1CCC ZINC000379393987 711801179 /nfs/dbraw/zinc/80/11/79/711801179.db2.gz WENTXUIXUWKWPF-QWRGUYRKSA-N 1 0 201.741 3.297 10 30 BGEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000379393988 712381665 /nfs/dbraw/zinc/38/16/65/712381665.db2.gz WENTXUIXUWKWPF-WDEREUQCSA-N 1 0 201.741 3.297 10 30 BGEERO C=CCSCC[NH2+][C@H](CC)C(C)(C)C ZINC000379650461 359574344 /nfs/dbraw/zinc/57/43/44/359574344.db2.gz DWTJWXCQEJOGAR-LLVKDONJSA-N 1 0 215.406 3.320 10 30 BGEERO C=CCSCC[NH2+][C@@H](CC)C(C)(C)C ZINC000379650462 359574564 /nfs/dbraw/zinc/57/45/64/359574564.db2.gz DWTJWXCQEJOGAR-NSHDSACASA-N 1 0 215.406 3.320 10 30 BGEERO C=CCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000379876043 365333343 /nfs/dbraw/zinc/33/33/43/365333343.db2.gz RZQRNVPTGZUSBN-AWEZNQCLSA-N 1 0 231.339 3.325 10 30 BGEERO C=CCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000379876051 365333213 /nfs/dbraw/zinc/33/32/13/365333213.db2.gz RZQRNVPTGZUSBN-CQSZACIVSA-N 1 0 231.339 3.325 10 30 BGEERO CC1(C)CCC(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000379995058 365786676 /nfs/dbraw/zinc/78/66/76/365786676.db2.gz VPHNXUHOQLPKKC-KBPBESRZSA-N 1 0 234.387 3.485 10 30 BGEERO CC1(C)CCC(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000379995060 365786728 /nfs/dbraw/zinc/78/67/28/365786728.db2.gz VPHNXUHOQLPKKC-KGLIPLIRSA-N 1 0 234.387 3.485 10 30 BGEERO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000379995061 365786260 /nfs/dbraw/zinc/78/62/60/365786260.db2.gz VPHNXUHOQLPKKC-UONOGXRCSA-N 1 0 234.387 3.485 10 30 BGEERO CC1(C)CCC(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000379995063 365786330 /nfs/dbraw/zinc/78/63/30/365786330.db2.gz VPHNXUHOQLPKKC-ZIAGYGMSSA-N 1 0 234.387 3.485 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000381352629 538998850 /nfs/dbraw/zinc/99/88/50/538998850.db2.gz BUAUTPOAJQJMQN-KBPBESRZSA-N 1 0 215.340 3.448 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000381352632 538998724 /nfs/dbraw/zinc/99/87/24/538998724.db2.gz BUAUTPOAJQJMQN-KGLIPLIRSA-N 1 0 215.340 3.448 10 30 BGEERO CCC#C[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000381352635 538998560 /nfs/dbraw/zinc/99/85/60/538998560.db2.gz BUAUTPOAJQJMQN-UONOGXRCSA-N 1 0 215.340 3.448 10 30 BGEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000381352637 538998722 /nfs/dbraw/zinc/99/87/22/538998722.db2.gz BUAUTPOAJQJMQN-ZIAGYGMSSA-N 1 0 215.340 3.448 10 30 BGEERO CC(C)[N@H+](CCC#N)CC1CCC(C)CC1 ZINC000381370369 344498808 /nfs/dbraw/zinc/49/88/08/344498808.db2.gz HGZZBDLSXHZMSG-UHFFFAOYSA-N 1 0 222.376 3.437 10 30 BGEERO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCCC1(F)F ZINC000381479699 367416640 /nfs/dbraw/zinc/41/66/40/367416640.db2.gz AEBMLSAUDQNIRF-NEPJUHHUSA-N 1 0 244.329 3.293 10 30 BGEERO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCCCC1(F)F ZINC000381479700 367416918 /nfs/dbraw/zinc/41/69/18/367416918.db2.gz AEBMLSAUDQNIRF-NWDGAFQWSA-N 1 0 244.329 3.293 10 30 BGEERO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCCCC1(F)F ZINC000381479712 367416185 /nfs/dbraw/zinc/41/61/85/367416185.db2.gz AEBMLSAUDQNIRF-RYUDHWBXSA-N 1 0 244.329 3.293 10 30 BGEERO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCCC1(F)F ZINC000381479716 367417057 /nfs/dbraw/zinc/41/70/57/367417057.db2.gz AEBMLSAUDQNIRF-VXGBXAGGSA-N 1 0 244.329 3.293 10 30 BGEERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000381494015 367418930 /nfs/dbraw/zinc/41/89/30/367418930.db2.gz ZMZRBTPPMYCOJT-BNOWGMLFSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000381494017 367419291 /nfs/dbraw/zinc/41/92/91/367419291.db2.gz ZMZRBTPPMYCOJT-KWCYVHTRSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000381494018 367419536 /nfs/dbraw/zinc/41/95/36/367419536.db2.gz ZMZRBTPPMYCOJT-MRVWCRGKSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000381494019 367419112 /nfs/dbraw/zinc/41/91/12/367419112.db2.gz ZMZRBTPPMYCOJT-XBFCOCLRSA-N 1 0 220.360 3.237 10 30 BGEERO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000381509581 367421758 /nfs/dbraw/zinc/42/17/58/367421758.db2.gz QSUTYOHXCBUNAM-FQUUOJAGSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000381509582 367421972 /nfs/dbraw/zinc/42/19/72/367421972.db2.gz QSUTYOHXCBUNAM-RFGFWPKPSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000381509583 367422174 /nfs/dbraw/zinc/42/21/74/367422174.db2.gz QSUTYOHXCBUNAM-RQJABVFESA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CC2CCC1CC2 ZINC000381569323 344522281 /nfs/dbraw/zinc/52/22/81/344522281.db2.gz YGYMXYCYVIEMTM-GNQQLEORSA-N 1 0 246.398 3.483 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CC2CCC1CC2 ZINC000381569325 344522164 /nfs/dbraw/zinc/52/21/64/344522164.db2.gz YGYMXYCYVIEMTM-UXNGEWEHSA-N 1 0 246.398 3.483 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CC2CCC1CC2 ZINC000381569327 344522150 /nfs/dbraw/zinc/52/21/50/344522150.db2.gz YGYMXYCYVIEMTM-WQAZNYATSA-N 1 0 246.398 3.483 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CC2CCC1CC2 ZINC000381569329 344522114 /nfs/dbraw/zinc/52/21/14/344522114.db2.gz YGYMXYCYVIEMTM-ZJPIFCFZSA-N 1 0 246.398 3.483 10 30 BGEERO N#CCCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000381577916 346382021 /nfs/dbraw/zinc/38/20/21/346382021.db2.gz CZVODMZSFMDTFH-ZJUUUORDSA-N 1 0 234.265 3.001 10 30 BGEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000381587376 367433222 /nfs/dbraw/zinc/43/32/22/367433222.db2.gz IDAFOJZMDJANRV-HZSPNIEDSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H]1C#N ZINC000381587377 346391213 /nfs/dbraw/zinc/39/12/13/346391213.db2.gz IDAFOJZMDJANRV-IHRRRGAJSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000381587379 346390981 /nfs/dbraw/zinc/39/09/81/346390981.db2.gz IDAFOJZMDJANRV-MELADBBJSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000381587380 346391127 /nfs/dbraw/zinc/39/11/27/346391127.db2.gz IDAFOJZMDJANRV-RDBSUJKOSA-N 1 0 220.360 3.403 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000383650155 349261225 /nfs/dbraw/zinc/26/12/25/349261225.db2.gz JAWZVUWQKONAFD-BPLDGKMQSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000383650156 349261111 /nfs/dbraw/zinc/26/11/11/349261111.db2.gz JAWZVUWQKONAFD-SNPRPXQTSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000383650160 349261281 /nfs/dbraw/zinc/26/12/81/349261281.db2.gz JAWZVUWQKONAFD-VHDGCEQUSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000383650161 349261058 /nfs/dbraw/zinc/26/10/58/349261058.db2.gz JAWZVUWQKONAFD-YUELXQCFSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000384843282 367741790 /nfs/dbraw/zinc/74/17/90/367741790.db2.gz ACXVWWYLLOPINN-GRYCIOLGSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000384843287 367742011 /nfs/dbraw/zinc/74/20/11/367742011.db2.gz ACXVWWYLLOPINN-IJLUTSLNSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000384843294 367741864 /nfs/dbraw/zinc/74/18/64/367741864.db2.gz ACXVWWYLLOPINN-UTUOFQBUSA-N 1 0 208.349 3.093 10 30 BGEERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000384843299 367741505 /nfs/dbraw/zinc/74/15/05/367741505.db2.gz ACXVWWYLLOPINN-WOPDTQHZSA-N 1 0 208.349 3.093 10 30 BGEERO C=CC(C)(C)C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000385263918 367814950 /nfs/dbraw/zinc/81/49/50/367814950.db2.gz YWRUNSDILZPYOP-LLVKDONJSA-N 1 0 249.402 3.383 10 30 BGEERO C=CC(C)(C)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000385263937 367815341 /nfs/dbraw/zinc/81/53/41/367815341.db2.gz YWRUNSDILZPYOP-NSHDSACASA-N 1 0 249.402 3.383 10 30 BGEERO C=C(C)CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000386808568 368024612 /nfs/dbraw/zinc/02/46/12/368024612.db2.gz RJRVOICEVBICKW-LLVKDONJSA-N 1 0 235.375 3.137 10 30 BGEERO C=C(C)CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000386808569 368024581 /nfs/dbraw/zinc/02/45/81/368024581.db2.gz RJRVOICEVBICKW-NSHDSACASA-N 1 0 235.375 3.137 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000387559616 344880959 /nfs/dbraw/zinc/88/09/59/344880959.db2.gz XHZNRCOEVJZQSD-HZSPNIEDSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000387559617 344881025 /nfs/dbraw/zinc/88/10/25/344881025.db2.gz XHZNRCOEVJZQSD-IHRRRGAJSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000387559759 344880643 /nfs/dbraw/zinc/88/06/43/344880643.db2.gz XHZNRCOEVJZQSD-MELADBBJSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000387559760 344881070 /nfs/dbraw/zinc/88/10/70/344881070.db2.gz XHZNRCOEVJZQSD-RDBSUJKOSA-N 1 0 220.360 3.237 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000390001491 371185035 /nfs/dbraw/zinc/18/50/35/371185035.db2.gz JXQHTUFXZLVJEH-CMPLNLGQSA-N 1 0 242.313 3.236 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000390001497 371184885 /nfs/dbraw/zinc/18/48/85/371184885.db2.gz JXQHTUFXZLVJEH-JQWIXIFHSA-N 1 0 242.313 3.236 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000390001498 371185180 /nfs/dbraw/zinc/18/51/80/371185180.db2.gz JXQHTUFXZLVJEH-PWSUYJOCSA-N 1 0 242.313 3.236 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000390001499 371184559 /nfs/dbraw/zinc/18/45/59/371184559.db2.gz JXQHTUFXZLVJEH-ZYHUDNBSSA-N 1 0 242.313 3.236 10 30 BGEERO C=CCCOCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000390751688 385469372 /nfs/dbraw/zinc/46/93/72/385469372.db2.gz DLDHMLCKIPPCAW-KBPBESRZSA-N 1 0 225.376 3.138 10 30 BGEERO C=CCCOCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000390751689 385470078 /nfs/dbraw/zinc/47/00/78/385470078.db2.gz DLDHMLCKIPPCAW-KGLIPLIRSA-N 1 0 225.376 3.138 10 30 BGEERO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000390751690 385468806 /nfs/dbraw/zinc/46/88/06/385468806.db2.gz DLDHMLCKIPPCAW-UONOGXRCSA-N 1 0 225.376 3.138 10 30 BGEERO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000390751879 259399993 /nfs/dbraw/zinc/39/99/93/259399993.db2.gz DLDHMLCKIPPCAW-ZIAGYGMSSA-N 1 0 225.376 3.138 10 30 BGEERO C=C(C)COCC(C)(C)[NH2+]Cc1ccccc1 ZINC000390821992 518610127 /nfs/dbraw/zinc/61/01/27/518610127.db2.gz BFJREMAOIKPHRZ-UHFFFAOYSA-N 1 0 233.355 3.148 10 30 BGEERO CC[C@H](CC#N)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390838718 357113848 /nfs/dbraw/zinc/11/38/48/357113848.db2.gz BMNHVHQGFDQBMS-GHMZBOCLSA-N 1 0 230.302 3.094 10 30 BGEERO CC[C@@H](CC#N)[NH2+]C[C@H]1CCCCC1(F)F ZINC000390838720 357114451 /nfs/dbraw/zinc/11/44/51/357114451.db2.gz BMNHVHQGFDQBMS-MNOVXSKESA-N 1 0 230.302 3.094 10 30 BGEERO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390838721 357114485 /nfs/dbraw/zinc/11/44/85/357114485.db2.gz BMNHVHQGFDQBMS-QWRGUYRKSA-N 1 0 230.302 3.094 10 30 BGEERO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390838723 357113991 /nfs/dbraw/zinc/11/39/91/357113991.db2.gz BMNHVHQGFDQBMS-WDEREUQCSA-N 1 0 230.302 3.094 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390874244 385991647 /nfs/dbraw/zinc/99/16/47/385991647.db2.gz ROFRRONYTFQGDO-QJPTWQEYSA-N 1 0 242.313 3.094 10 30 BGEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390874250 259416688 /nfs/dbraw/zinc/41/66/88/259416688.db2.gz ROFRRONYTFQGDO-SDDRHHMPSA-N 1 0 242.313 3.094 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390874257 385990538 /nfs/dbraw/zinc/99/05/38/385990538.db2.gz ROFRRONYTFQGDO-SRVKXCTJSA-N 1 0 242.313 3.094 10 30 BGEERO CC(C)(CC[NH2+][C@H]1CCC[C@H]1C#N)C1CC1 ZINC000392823924 371459917 /nfs/dbraw/zinc/45/99/17/371459917.db2.gz BATGMTZQDLDOQG-AAEUAGOBSA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)(CC[NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000392823927 371460034 /nfs/dbraw/zinc/46/00/34/371460034.db2.gz BATGMTZQDLDOQG-DGCLKSJQSA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)(CC[NH2+][C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000392823929 371460067 /nfs/dbraw/zinc/46/00/67/371460067.db2.gz BATGMTZQDLDOQG-WCQYABFASA-N 1 0 220.360 3.095 10 30 BGEERO CC(C)(CC[NH2+][C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000392823930 371460055 /nfs/dbraw/zinc/46/00/55/371460055.db2.gz BATGMTZQDLDOQG-YPMHNXCESA-N 1 0 220.360 3.095 10 30 BGEERO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000393486424 259422433 /nfs/dbraw/zinc/42/24/33/259422433.db2.gz SUTVKZQQHIFFCE-AVGNSLFASA-N 1 0 222.376 3.483 10 30 BGEERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000394631604 342811511 /nfs/dbraw/zinc/81/15/11/342811511.db2.gz PMICJMAHIIQLLG-BARDWOONSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000394631607 342811522 /nfs/dbraw/zinc/81/15/22/342811522.db2.gz PMICJMAHIIQLLG-CBBWQLFWSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000394631608 342811576 /nfs/dbraw/zinc/81/15/76/342811576.db2.gz PMICJMAHIIQLLG-LXTVHRRPSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000394631610 342811581 /nfs/dbraw/zinc/81/15/81/342811581.db2.gz PMICJMAHIIQLLG-QPSCCSFWSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CC1(C)C ZINC000397728036 350966013 /nfs/dbraw/zinc/96/60/13/350966013.db2.gz VPQJBZCQLHPPDN-FVCCEPFGSA-N 1 0 220.360 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CC1(C)C ZINC000397728037 350965863 /nfs/dbraw/zinc/96/58/63/350965863.db2.gz VPQJBZCQLHPPDN-MROQNXINSA-N 1 0 220.360 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CC1(C)C ZINC000397728038 350966092 /nfs/dbraw/zinc/96/60/92/350966092.db2.gz VPQJBZCQLHPPDN-QNWHQSFQSA-N 1 0 220.360 3.093 10 30 BGEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CC1(C)C ZINC000397728039 350965992 /nfs/dbraw/zinc/96/59/92/350965992.db2.gz VPQJBZCQLHPPDN-ZDEQEGDKSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000397758246 350971298 /nfs/dbraw/zinc/97/12/98/350971298.db2.gz IZZXUPWXVDPHOR-CHWSQXEVSA-N 1 0 206.333 3.015 10 30 BGEERO CC(C)=CCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000397758247 350971326 /nfs/dbraw/zinc/97/13/26/350971326.db2.gz IZZXUPWXVDPHOR-OLZOCXBDSA-N 1 0 206.333 3.015 10 30 BGEERO CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000397758248 350971779 /nfs/dbraw/zinc/97/17/79/350971779.db2.gz IZZXUPWXVDPHOR-QWHCGFSZSA-N 1 0 206.333 3.015 10 30 BGEERO CC(C)=CCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000397758249 350971655 /nfs/dbraw/zinc/97/16/55/350971655.db2.gz IZZXUPWXVDPHOR-STQMWFEESA-N 1 0 206.333 3.015 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@@H]1CC1(C)C ZINC000397796524 350973171 /nfs/dbraw/zinc/97/31/71/350973171.db2.gz QXBXRINYAAZHIG-QNWHQSFQSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@H]1CC1(C)C ZINC000397796542 350973416 /nfs/dbraw/zinc/97/34/16/350973416.db2.gz QXBXRINYAAZHIG-UMSGYPCISA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@H]1CC1(C)C ZINC000397796559 350973580 /nfs/dbraw/zinc/97/35/80/350973580.db2.gz QXBXRINYAAZHIG-WUHRBBMRSA-N 1 0 220.360 3.093 10 30 BGEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@@H]1CC1(C)C ZINC000397796580 350973627 /nfs/dbraw/zinc/97/36/27/350973627.db2.gz QXBXRINYAAZHIG-ZDEQEGDKSA-N 1 0 220.360 3.093 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000398043652 388515677 /nfs/dbraw/zinc/51/56/77/388515677.db2.gz RPLORPXITSPXIC-AVGNSLFASA-N 1 0 206.333 3.013 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000398043654 388515216 /nfs/dbraw/zinc/51/52/16/388515216.db2.gz RPLORPXITSPXIC-RWMBFGLXSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000398043655 388515909 /nfs/dbraw/zinc/51/59/09/388515909.db2.gz RPLORPXITSPXIC-XQQFMLRXSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000398043657 388515685 /nfs/dbraw/zinc/51/56/85/388515685.db2.gz RPLORPXITSPXIC-YNEHKIRRSA-N 1 0 206.333 3.013 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000398072365 351004038 /nfs/dbraw/zinc/00/40/38/351004038.db2.gz JRVOKDLAMNUYIM-BFHYXJOUSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000398072366 351003526 /nfs/dbraw/zinc/00/35/26/351003526.db2.gz JRVOKDLAMNUYIM-IHRRRGAJSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000398072370 351003480 /nfs/dbraw/zinc/00/34/80/351003480.db2.gz JRVOKDLAMNUYIM-MELADBBJSA-N 1 0 220.360 3.403 10 30 BGEERO C=CCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000398072374 351003999 /nfs/dbraw/zinc/00/39/99/351003999.db2.gz JRVOKDLAMNUYIM-MJBXVCDLSA-N 1 0 220.360 3.403 10 30 BGEERO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000398207569 351014099 /nfs/dbraw/zinc/01/40/99/351014099.db2.gz HXPOIKRHTJUQPR-BNOWGMLFSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000398207572 343088564 /nfs/dbraw/zinc/08/85/64/343088564.db2.gz HXPOIKRHTJUQPR-KWCYVHTRSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000398207575 351015119 /nfs/dbraw/zinc/01/51/19/351015119.db2.gz HXPOIKRHTJUQPR-MRVWCRGKSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000398207578 351015082 /nfs/dbraw/zinc/01/50/82/351015082.db2.gz HXPOIKRHTJUQPR-XBFCOCLRSA-N 1 0 220.360 3.237 10 30 BGEERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000401437782 369363791 /nfs/dbraw/zinc/36/37/91/369363791.db2.gz KKANCYPNGGARMX-BARDWOONSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000401437783 369363869 /nfs/dbraw/zinc/36/38/69/369363869.db2.gz KKANCYPNGGARMX-KBUPBQIOSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000401437784 369363739 /nfs/dbraw/zinc/36/37/39/369363739.db2.gz KKANCYPNGGARMX-LXTVHRRPSA-N 1 0 234.387 3.485 10 30 BGEERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000401437786 369363828 /nfs/dbraw/zinc/36/38/28/369363828.db2.gz KKANCYPNGGARMX-TUVASFSCSA-N 1 0 234.387 3.485 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403350206 360189610 /nfs/dbraw/zinc/18/96/10/360189610.db2.gz IHWXDLNTVLSOOQ-FQKPHLNHSA-N 1 0 232.371 3.095 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403350210 360189405 /nfs/dbraw/zinc/18/94/05/360189405.db2.gz IHWXDLNTVLSOOQ-MRLBHPIUSA-N 1 0 232.371 3.095 10 30 BGEERO Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)c(Cl)c1 ZINC000404522535 369431522 /nfs/dbraw/zinc/43/15/22/369431522.db2.gz QOQCCKPTDHAFEC-BXUZGUMPSA-N 1 0 248.757 3.430 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1cscc1Br ZINC000404781018 352425996 /nfs/dbraw/zinc/42/59/96/352425996.db2.gz IUXSYBQETBRDFV-MRVPVSSYSA-N 1 0 232.146 3.087 10 30 BGEERO C=C(C)[C@H]([NH3+])c1cscc1Br ZINC000404781020 352426420 /nfs/dbraw/zinc/42/64/20/352426420.db2.gz IUXSYBQETBRDFV-QMMMGPOBSA-N 1 0 232.146 3.087 10 30 BGEERO CC1CCC(C[NH2+]CC2(C#N)CCCC2)CC1 ZINC000405190057 369448473 /nfs/dbraw/zinc/44/84/73/369448473.db2.gz PNMNEPJUSUQQIA-UHFFFAOYSA-N 1 0 234.387 3.486 10 30 BGEERO C[C@H](CCC#N)[NH+]1CCC(c2nccs2)CC1 ZINC000411207802 191169335 /nfs/dbraw/zinc/16/93/35/191169335.db2.gz IZZIUGMUHLKFJK-LLVKDONJSA-N 1 0 249.383 3.015 10 30 BGEERO C[C@@H](CCC#N)[NH+]1CCC(c2nccs2)CC1 ZINC000411207803 191169933 /nfs/dbraw/zinc/16/99/33/191169933.db2.gz IZZIUGMUHLKFJK-NSHDSACASA-N 1 0 249.383 3.015 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1F ZINC000411470852 191187665 /nfs/dbraw/zinc/18/76/65/191187665.db2.gz DJIPECPKSORIGD-NEPJUHHUSA-N 1 0 234.318 3.477 10 30 BGEERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1F ZINC000411470857 191187337 /nfs/dbraw/zinc/18/73/37/191187337.db2.gz DJIPECPKSORIGD-RYUDHWBXSA-N 1 0 234.318 3.477 10 30 BGEERO Cc1cccc([C@@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000411874603 191225940 /nfs/dbraw/zinc/22/59/40/191225940.db2.gz OGQIKVFKKFETCQ-CHWSQXEVSA-N 1 0 216.328 3.338 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000411874604 191225740 /nfs/dbraw/zinc/22/57/40/191225740.db2.gz OGQIKVFKKFETCQ-OLZOCXBDSA-N 1 0 216.328 3.338 10 30 BGEERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000411874605 191225692 /nfs/dbraw/zinc/22/56/92/191225692.db2.gz OGQIKVFKKFETCQ-QWHCGFSZSA-N 1 0 216.328 3.338 10 30 BGEERO Cc1cccc([C@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000411874606 191225702 /nfs/dbraw/zinc/22/57/02/191225702.db2.gz OGQIKVFKKFETCQ-STQMWFEESA-N 1 0 216.328 3.338 10 30 BGEERO C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC(C)(C)C1 ZINC000430019830 201138588 /nfs/dbraw/zinc/13/85/88/201138588.db2.gz NPZCMHVZALHJIK-CHWSQXEVSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC(C)(C)C1 ZINC000430019831 201138943 /nfs/dbraw/zinc/13/89/43/201138943.db2.gz NPZCMHVZALHJIK-OLZOCXBDSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CC(C)(C)C1 ZINC000430019832 201138200 /nfs/dbraw/zinc/13/82/00/201138200.db2.gz NPZCMHVZALHJIK-QWHCGFSZSA-N 1 0 234.387 3.485 10 30 BGEERO C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CC(C)(C)C1 ZINC000430019833 201139180 /nfs/dbraw/zinc/13/91/80/201139180.db2.gz NPZCMHVZALHJIK-STQMWFEESA-N 1 0 234.387 3.485 10 30 BGEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000439431639 387029362 /nfs/dbraw/zinc/02/93/62/387029362.db2.gz REOCIOVHETZTEL-GXTWGEPZSA-N 1 0 246.741 3.196 10 30 BGEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000439431640 387029759 /nfs/dbraw/zinc/02/97/59/387029759.db2.gz REOCIOVHETZTEL-JSGCOSHPSA-N 1 0 246.741 3.196 10 30 BGEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000439431641 387030967 /nfs/dbraw/zinc/03/09/67/387030967.db2.gz REOCIOVHETZTEL-OCCSQVGLSA-N 1 0 246.741 3.196 10 30 BGEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000439431642 387030095 /nfs/dbraw/zinc/03/00/95/387030095.db2.gz REOCIOVHETZTEL-TZMCWYRMSA-N 1 0 246.741 3.196 10 30 BGEERO CC(C)(C)[C@@]1(C=O)CC[N@H+](Cc2ccccc2)C1 ZINC000536948626 387160818 /nfs/dbraw/zinc/16/08/18/387160818.db2.gz COXVEWWSGNCYLY-INIZCTEOSA-N 1 0 245.366 3.124 10 30 BGEERO CC(C)(C)[C@]1(C=O)CC[N@H+](Cc2ccccc2)C1 ZINC000536948632 387161142 /nfs/dbraw/zinc/16/11/42/387161142.db2.gz COXVEWWSGNCYLY-MRXNPFEDSA-N 1 0 245.366 3.124 10 30 BGEERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C#N)CC1 ZINC000542538612 325033950 /nfs/dbraw/zinc/03/39/50/325033950.db2.gz DCAFMWKUHDQXAA-HZSPNIEDSA-N 1 0 234.387 3.341 10 30 BGEERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000542538625 325034231 /nfs/dbraw/zinc/03/42/31/325034231.db2.gz DCAFMWKUHDQXAA-MCIONIFRSA-N 1 0 234.387 3.341 10 30 BGEERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C#N)CC1 ZINC000542538627 325034102 /nfs/dbraw/zinc/03/41/02/325034102.db2.gz DCAFMWKUHDQXAA-MGPQQGTHSA-N 1 0 234.387 3.341 10 30 BGEERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000542538629 325033913 /nfs/dbraw/zinc/03/39/13/325033913.db2.gz DCAFMWKUHDQXAA-RDBSUJKOSA-N 1 0 234.387 3.341 10 30 BGEERO C=CCC[C@H]([NH3+])c1ccccc1OC(C)C ZINC000575438061 387112438 /nfs/dbraw/zinc/11/24/38/387112438.db2.gz FHGSQDSAWFCJSM-ZDUSSCGKSA-N 1 0 219.328 3.440 10 30 BGEERO C=CCC[C@@H]([NH3+])c1ccccc1OC(C)C ZINC000575438213 387110422 /nfs/dbraw/zinc/11/04/22/387110422.db2.gz FHGSQDSAWFCJSM-CYBMUJFWSA-N 1 0 219.328 3.440 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1ccccc1OC(C)C ZINC000575438621 387130968 /nfs/dbraw/zinc/13/09/68/387130968.db2.gz MDEIYWILXCTQPU-CYBMUJFWSA-N 1 0 219.328 3.440 10 30 BGEERO C=CCC[C@@H]([NH3+])c1cc(C)c(OC)c(C)c1 ZINC000575439120 387121017 /nfs/dbraw/zinc/12/10/17/387121017.db2.gz PWRCXVCAZMBUID-CYBMUJFWSA-N 1 0 219.328 3.278 10 30 BGEERO C=CCC[C@H]([NH3+])c1cc(C)c(OC)c(C)c1 ZINC000575439205 387122129 /nfs/dbraw/zinc/12/21/29/387122129.db2.gz PWRCXVCAZMBUID-ZDUSSCGKSA-N 1 0 219.328 3.278 10 30 BGEERO C=C(C)C[C@@H]([NH3+])c1cc(C)c(OC)c(C)c1 ZINC000575439741 387126369 /nfs/dbraw/zinc/12/63/69/387126369.db2.gz VREKQSMSEBJJPU-CYBMUJFWSA-N 1 0 219.328 3.278 10 30 BGEERO C=C(C)C[C@H]([NH3+])c1cc(C)c(OC)c(C)c1 ZINC000575439756 387126383 /nfs/dbraw/zinc/12/63/83/387126383.db2.gz VREKQSMSEBJJPU-ZDUSSCGKSA-N 1 0 219.328 3.278 10 30 BGEERO C=C(C)[C@@H]([NH3+])c1ccsc1Br ZINC000575463398 387043086 /nfs/dbraw/zinc/04/30/86/387043086.db2.gz WWDLCNOVVVTRAA-SSDOTTSWSA-N 1 0 232.146 3.087 10 30 BGEERO C=C(C)[C@H]([NH3+])c1ccsc1Br ZINC000575463399 387043257 /nfs/dbraw/zinc/04/32/57/387043257.db2.gz WWDLCNOVVVTRAA-ZETCQYMHSA-N 1 0 232.146 3.087 10 30 BGEERO C=CC[C@@H]([NH3+])c1ccsc1Br ZINC000575498699 387342017 /nfs/dbraw/zinc/34/20/17/387342017.db2.gz XHCFKGHFZCXLER-SSDOTTSWSA-N 1 0 232.146 3.087 10 30 BGEERO C=CC[C@H]([NH3+])c1ccsc1Br ZINC000575498700 387342689 /nfs/dbraw/zinc/34/26/89/387342689.db2.gz XHCFKGHFZCXLER-ZETCQYMHSA-N 1 0 232.146 3.087 10 30 BGEERO C=C[C@@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575509325 387391692 /nfs/dbraw/zinc/39/16/92/387391692.db2.gz WPHMMRBWWGMZPF-SECBINFHSA-N 1 0 244.107 3.082 10 30 BGEERO C=C[C@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575509329 387391784 /nfs/dbraw/zinc/39/17/84/387391784.db2.gz WPHMMRBWWGMZPF-VIFPVBQESA-N 1 0 244.107 3.082 10 30 BGEERO C=C(Cl)CC1([NH3+])CCC(C)(C)CC1 ZINC000575541208 385948897 /nfs/dbraw/zinc/94/88/97/385948897.db2.gz DRLDGJAJXMLLEX-UHFFFAOYSA-N 1 0 201.741 3.427 10 30 BGEERO Cc1cccc(C)c1/[NH+]=C1\CCCN1C ZINC000584591894 358250587 /nfs/dbraw/zinc/25/05/87/358250587.db2.gz QNEWBYSCLYBQEP-WYMLVPIESA-N 1 0 202.301 3.059 10 30 BGEERO C=CC[N@H+](Cc1cccc(N)c1)CC(C)(C)C ZINC000584595121 358252393 /nfs/dbraw/zinc/25/23/93/358252393.db2.gz AZWIRLMZXIJVJL-UHFFFAOYSA-N 1 0 232.371 3.303 10 30 BGEERO CC1(C)CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000584598975 385467494 /nfs/dbraw/zinc/46/74/94/385467494.db2.gz DPCYTXMLYSPLPA-CYBMUJFWSA-N 1 0 214.312 3.009 10 30 BGEERO CC1(C)CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000584598978 385467982 /nfs/dbraw/zinc/46/79/82/385467982.db2.gz DPCYTXMLYSPLPA-ZDUSSCGKSA-N 1 0 214.312 3.009 10 30 BGEERO N#CC1([NH+]2CC3CCC(CC3)C2)CCCCC1 ZINC000584600675 358257795 /nfs/dbraw/zinc/25/77/95/358257795.db2.gz UETBUNGUMCSNRD-UHFFFAOYSA-N 1 0 232.371 3.335 10 30 BGEERO SCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000584601772 358259359 /nfs/dbraw/zinc/25/93/59/358259359.db2.gz OBVIYUVALMMLAD-UHFFFAOYSA-N 1 0 235.396 3.365 10 30 BGEERO O=[N+]([O-])c1ccc(NC=[NH+]c2ccccc2)cc1 ZINC000584605542 358264283 /nfs/dbraw/zinc/26/42/83/358264283.db2.gz YISDNQZQRNQGTD-UHFFFAOYSA-N 1 0 241.250 3.367 10 30 BGEERO C[NH+]1CCC(=Nc2cccc(Cl)c2)CC1 ZINC000584609139 358269963 /nfs/dbraw/zinc/26/99/63/358269963.db2.gz VLWYGLDZOQGBSY-UHFFFAOYSA-N 1 0 222.719 3.138 10 30 BGEERO C=C(C)C[NH2+]CCNc1cccc2ccccc21 ZINC000584614332 358279047 /nfs/dbraw/zinc/27/90/47/358279047.db2.gz CBWILXZDVZSUQN-UHFFFAOYSA-N 1 0 240.350 3.417 10 30 BGEERO C=CC[N@@H+]1CCC[C@H](Nc2ccccc2)CC1 ZINC000584617032 358281538 /nfs/dbraw/zinc/28/15/38/358281538.db2.gz MYUXWAIGEOFHDQ-HNNXBMFYSA-N 1 0 230.355 3.139 10 30 BGEERO C=CC[N@@H+]1CCC[C@@H](Nc2ccccc2)CC1 ZINC000584617034 358281411 /nfs/dbraw/zinc/28/14/11/358281411.db2.gz MYUXWAIGEOFHDQ-OAHLLOKOSA-N 1 0 230.355 3.139 10 30 BGEERO C=CC[C@H](C[NH3+])Cn1ccc2cc(C)ccc21 ZINC000584618533 358284103 /nfs/dbraw/zinc/28/41/03/358284103.db2.gz KLWMZUFEFPAQCW-CYBMUJFWSA-N 1 0 228.339 3.101 10 30 BGEERO CCC/N=C1\CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584621238 358288852 /nfs/dbraw/zinc/28/88/52/358288852.db2.gz XDUOHKZFYMUHFR-WECAROLCSA-N 1 0 242.366 3.231 10 30 BGEERO CCC/N=C1\CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584621239 358288782 /nfs/dbraw/zinc/28/87/82/358288782.db2.gz XDUOHKZFYMUHFR-WUVIJCSQSA-N 1 0 242.366 3.231 10 30 BGEERO N#C[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625834 358294873 /nfs/dbraw/zinc/29/48/73/358294873.db2.gz VZJDBGYUJBEGKA-CVEARBPZSA-N 1 0 240.350 3.096 10 30 BGEERO N#C[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625836 358294807 /nfs/dbraw/zinc/29/48/07/358294807.db2.gz VZJDBGYUJBEGKA-HOTGVXAUSA-N 1 0 240.350 3.096 10 30 BGEERO N#C[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625838 358294736 /nfs/dbraw/zinc/29/47/36/358294736.db2.gz VZJDBGYUJBEGKA-HZPDHXFCSA-N 1 0 240.350 3.096 10 30 BGEERO N#C[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625839 358294898 /nfs/dbraw/zinc/29/48/98/358294898.db2.gz VZJDBGYUJBEGKA-JKSUJKDBSA-N 1 0 240.350 3.096 10 30 BGEERO CC[N@@H+]1CC[C@@H]([C@](C#N)(CC)c2ccccc2)C1 ZINC000584633727 358317824 /nfs/dbraw/zinc/31/78/24/358317824.db2.gz JVOLYCHDCOMLDF-CVEARBPZSA-N 1 0 242.366 3.200 10 30 BGEERO CC[N@@H+]1CC[C@H]([C@](C#N)(CC)c2ccccc2)C1 ZINC000584633728 358317388 /nfs/dbraw/zinc/31/73/88/358317388.db2.gz JVOLYCHDCOMLDF-HOTGVXAUSA-N 1 0 242.366 3.200 10 30 BGEERO CC[N@@H+]1CC[C@@H]([C@@](C#N)(CC)c2ccccc2)C1 ZINC000584633729 358317244 /nfs/dbraw/zinc/31/72/44/358317244.db2.gz JVOLYCHDCOMLDF-HZPDHXFCSA-N 1 0 242.366 3.200 10 30 BGEERO CC[N@@H+]1CC[C@H]([C@@](C#N)(CC)c2ccccc2)C1 ZINC000584633730 358317938 /nfs/dbraw/zinc/31/79/38/358317938.db2.gz JVOLYCHDCOMLDF-JKSUJKDBSA-N 1 0 242.366 3.200 10 30 BGEERO CC(C)[N@@H+]1CC[C@@H]([C@@](C)(C#N)c2ccccc2)C1 ZINC000584633779 358317267 /nfs/dbraw/zinc/31/72/67/358317267.db2.gz MJHYVEBSMCXFCE-CVEARBPZSA-N 1 0 242.366 3.198 10 30 BGEERO CC(C)[N@@H+]1CC[C@H]([C@@](C)(C#N)c2ccccc2)C1 ZINC000584633780 358317914 /nfs/dbraw/zinc/31/79/14/358317914.db2.gz MJHYVEBSMCXFCE-HOTGVXAUSA-N 1 0 242.366 3.198 10 30 BGEERO CC(C)[N@@H+]1CC[C@@H]([C@](C)(C#N)c2ccccc2)C1 ZINC000584633781 358317364 /nfs/dbraw/zinc/31/73/64/358317364.db2.gz MJHYVEBSMCXFCE-HZPDHXFCSA-N 1 0 242.366 3.198 10 30 BGEERO CC(C)[N@@H+]1CC[C@H]([C@](C)(C#N)c2ccccc2)C1 ZINC000584633782 358317770 /nfs/dbraw/zinc/31/77/70/358317770.db2.gz MJHYVEBSMCXFCE-JKSUJKDBSA-N 1 0 242.366 3.198 10 30 BGEERO CC(C)[N@@H+]1CC[C@@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633860 358317929 /nfs/dbraw/zinc/31/79/29/358317929.db2.gz QLDZOVJOGPYXRX-CABCVRRESA-N 1 0 228.339 3.024 10 30 BGEERO CC(C)[N@@H+]1CC[C@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633861 358317951 /nfs/dbraw/zinc/31/79/51/358317951.db2.gz QLDZOVJOGPYXRX-GJZGRUSLSA-N 1 0 228.339 3.024 10 30 BGEERO CC(C)[N@@H+]1CC[C@@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633862 358317592 /nfs/dbraw/zinc/31/75/92/358317592.db2.gz QLDZOVJOGPYXRX-HUUCEWRRSA-N 1 0 228.339 3.024 10 30 BGEERO CC(C)[N@@H+]1CC[C@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633863 358317338 /nfs/dbraw/zinc/31/73/38/358317338.db2.gz QLDZOVJOGPYXRX-LSDHHAIUSA-N 1 0 228.339 3.024 10 30 BGEERO N#CCCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584636778 358321624 /nfs/dbraw/zinc/32/16/24/358321624.db2.gz BGBYBTJQNUGSRC-UHFFFAOYSA-N 1 0 248.757 3.265 10 30 BGEERO COc1ccc([N+](=O)Cc2cccs2)cc1 ZINC000584642692 358328003 /nfs/dbraw/zinc/32/80/03/358328003.db2.gz MKRWPJLAGGGNEQ-LCYFTJDESA-N 1 0 233.292 3.018 10 30 BGEERO C=CC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584646173 358331172 /nfs/dbraw/zinc/33/11/72/358331172.db2.gz PUSRIQDXSSDMNT-UHFFFAOYSA-N 1 0 221.731 3.147 10 30 BGEERO C=CC[N@H+]1CC[C@](CCC)(c2cccc(O)c2)C1 ZINC000584650191 490177911 /nfs/dbraw/zinc/17/79/11/490177911.db2.gz NOFCIIQEKAJQTJ-INIZCTEOSA-N 1 0 245.366 3.322 10 30 BGEERO C=CC[N@H+]1CC[C@@](CCC)(c2cccc(O)c2)C1 ZINC000584650192 490177801 /nfs/dbraw/zinc/17/78/01/490177801.db2.gz NOFCIIQEKAJQTJ-MRXNPFEDSA-N 1 0 245.366 3.322 10 30 BGEERO C=CCOc1cccc([C@@]2(CCC)CC[NH2+]C2)c1 ZINC000584650227 488020199 /nfs/dbraw/zinc/02/01/99/488020199.db2.gz QTWPOASFDRDRQU-INIZCTEOSA-N 1 0 245.366 3.283 10 30 BGEERO C=CCOc1cccc([C@]2(CCC)CC[NH2+]C2)c1 ZINC000584650228 488020057 /nfs/dbraw/zinc/02/00/57/488020057.db2.gz QTWPOASFDRDRQU-MRXNPFEDSA-N 1 0 245.366 3.283 10 30 BGEERO C=C1CC(Cl)C=CC1=[NH+]c1ccc[nH]1 ZINC000584651243 358306121 /nfs/dbraw/zinc/30/61/21/358306121.db2.gz HOONZWUFDCAOMO-UHFFFAOYSA-N 1 0 206.676 3.393 10 30 BGEERO C=C(C)[C@@H]1C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000584651527 358306163 /nfs/dbraw/zinc/30/61/63/358306163.db2.gz LBYGNNRWBRXZEO-GJZGRUSLSA-N 1 0 215.340 3.298 10 30 BGEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1C1CCCCC1 ZINC000584883545 343086739 /nfs/dbraw/zinc/08/67/39/343086739.db2.gz SCXXLHMDEJXXDJ-CLLJXQQHSA-N 1 0 223.360 3.007 10 30 BGEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1C1CCCCC1 ZINC000584883546 343086690 /nfs/dbraw/zinc/08/66/90/343086690.db2.gz SCXXLHMDEJXXDJ-RYUDHWBXSA-N 1 0 223.360 3.007 10 30 BGEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1C1CCCCC1 ZINC000584883547 343086579 /nfs/dbraw/zinc/08/65/79/343086579.db2.gz SCXXLHMDEJXXDJ-VXGBXAGGSA-N 1 0 223.360 3.007 10 30 BGEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1CCC(C)(C)C ZINC000584883562 343086673 /nfs/dbraw/zinc/08/66/73/343086673.db2.gz UHELNLHYBNLPJC-CLLJXQQHSA-N 1 0 225.376 3.111 10 30 BGEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1CCC(C)(C)C ZINC000584883563 343086669 /nfs/dbraw/zinc/08/66/69/343086669.db2.gz UHELNLHYBNLPJC-RYUDHWBXSA-N 1 0 225.376 3.111 10 30 BGEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1CCC(C)(C)C ZINC000584883564 343086728 /nfs/dbraw/zinc/08/67/28/343086728.db2.gz UHELNLHYBNLPJC-VXGBXAGGSA-N 1 0 225.376 3.111 10 30 BGEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1CC1CCCCC1 ZINC000584883565 343086623 /nfs/dbraw/zinc/08/66/23/343086623.db2.gz UINDSNMLTIABCD-AGGWBTHJSA-N 1 0 237.387 3.255 10 30 BGEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1CC1CCCCC1 ZINC000584883566 343086726 /nfs/dbraw/zinc/08/67/26/343086726.db2.gz UINDSNMLTIABCD-CHWSQXEVSA-N 1 0 237.387 3.255 10 30 BGEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1CC1CCCCC1 ZINC000584883567 343086735 /nfs/dbraw/zinc/08/67/35/343086735.db2.gz UINDSNMLTIABCD-STQMWFEESA-N 1 0 237.387 3.255 10 30 BGEERO CC(C)(C#N)CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180576 347759639 /nfs/dbraw/zinc/75/96/39/347759639.db2.gz FKEDMTADVDLSSS-BFHYXJOUSA-N 1 0 234.387 3.485 10 30 BGEERO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592181999 347759572 /nfs/dbraw/zinc/75/95/72/347759572.db2.gz QGVCCSVYCCBUDB-YNEHKIRRSA-N 1 0 220.360 3.095 10 30 BGEERO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592183530 347760157 /nfs/dbraw/zinc/76/01/57/347760157.db2.gz ZREYQKMTCSGDOF-NUEKZKHPSA-N 1 0 240.350 3.145 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000595687145 348313377 /nfs/dbraw/zinc/31/33/77/348313377.db2.gz AQUDLFPWLUPRTK-KBPBESRZSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000595687146 348312905 /nfs/dbraw/zinc/31/29/05/348312905.db2.gz AQUDLFPWLUPRTK-KGLIPLIRSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC000595687147 348313224 /nfs/dbraw/zinc/31/32/24/348313224.db2.gz AQUDLFPWLUPRTK-UONOGXRCSA-N 1 0 220.360 3.239 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC000595687148 348313041 /nfs/dbraw/zinc/31/30/41/348313041.db2.gz AQUDLFPWLUPRTK-ZIAGYGMSSA-N 1 0 220.360 3.239 10 30 BGEERO CCC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595690306 348315720 /nfs/dbraw/zinc/31/57/20/348315720.db2.gz QHDNEUUTBZWAFO-CHWSQXEVSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595690316 348315620 /nfs/dbraw/zinc/31/56/20/348315620.db2.gz QHDNEUUTBZWAFO-OLZOCXBDSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595690318 348315942 /nfs/dbraw/zinc/31/59/42/348315942.db2.gz QHDNEUUTBZWAFO-QWHCGFSZSA-N 1 0 222.376 3.485 10 30 BGEERO CCC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595690319 348315649 /nfs/dbraw/zinc/31/56/49/348315649.db2.gz QHDNEUUTBZWAFO-STQMWFEESA-N 1 0 222.376 3.485 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)c1 ZINC000595690486 348315730 /nfs/dbraw/zinc/31/57/30/348315730.db2.gz CKOUTMDDIDOSQR-CVEARBPZSA-N 1 0 242.366 3.475 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@H]2CCCC[C@H]2C#N)c1 ZINC000595690488 348315654 /nfs/dbraw/zinc/31/56/54/348315654.db2.gz CKOUTMDDIDOSQR-HOTGVXAUSA-N 1 0 242.366 3.475 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)c1 ZINC000595690489 348315866 /nfs/dbraw/zinc/31/58/66/348315866.db2.gz CKOUTMDDIDOSQR-HZPDHXFCSA-N 1 0 242.366 3.475 10 30 BGEERO Cc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)c1 ZINC000595690492 348315883 /nfs/dbraw/zinc/31/58/83/348315883.db2.gz CKOUTMDDIDOSQR-JKSUJKDBSA-N 1 0 242.366 3.475 10 30 BGEERO C[C@@]1(C#N)CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000595840807 348374971 /nfs/dbraw/zinc/37/49/71/348374971.db2.gz FWGHWIDFDRHXKI-NEPJUHHUSA-N 1 0 242.313 3.047 10 30 BGEERO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000595840808 348375168 /nfs/dbraw/zinc/37/51/68/348375168.db2.gz FWGHWIDFDRHXKI-NWDGAFQWSA-N 1 0 242.313 3.047 10 30 BGEERO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000595840809 348375367 /nfs/dbraw/zinc/37/53/67/348375367.db2.gz FWGHWIDFDRHXKI-RYUDHWBXSA-N 1 0 242.313 3.047 10 30 BGEERO C[C@]1(C#N)CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000595840810 348375308 /nfs/dbraw/zinc/37/53/08/348375308.db2.gz FWGHWIDFDRHXKI-VXGBXAGGSA-N 1 0 242.313 3.047 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000597195214 348672437 /nfs/dbraw/zinc/67/24/37/348672437.db2.gz DXZXKYSRUHPDEI-GXTWGEPZSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000597195215 348672304 /nfs/dbraw/zinc/67/23/04/348672304.db2.gz DXZXKYSRUHPDEI-JSGCOSHPSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000597195216 348672149 /nfs/dbraw/zinc/67/21/49/348672149.db2.gz DXZXKYSRUHPDEI-OCCSQVGLSA-N 1 0 232.371 3.381 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000597195217 348672179 /nfs/dbraw/zinc/67/21/79/348672179.db2.gz DXZXKYSRUHPDEI-TZMCWYRMSA-N 1 0 232.371 3.381 10 30 BGEERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597195939 348673258 /nfs/dbraw/zinc/67/32/58/348673258.db2.gz AQPZAWMSLGMGMZ-BNOWGMLFSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597195941 348672900 /nfs/dbraw/zinc/67/29/00/348672900.db2.gz AQPZAWMSLGMGMZ-KWCYVHTRSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597195943 348672941 /nfs/dbraw/zinc/67/29/41/348672941.db2.gz AQPZAWMSLGMGMZ-MRVWCRGKSA-N 1 0 220.360 3.237 10 30 BGEERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597195944 348672889 /nfs/dbraw/zinc/67/28/89/348672889.db2.gz AQPZAWMSLGMGMZ-XBFCOCLRSA-N 1 0 220.360 3.237 10 30 BGEERO CC(C)C1CC([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000597197859 348673830 /nfs/dbraw/zinc/67/38/30/348673830.db2.gz ZLXJXVNVFUTFMV-ABXWRUBCSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)C1CC([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000597197860 348674004 /nfs/dbraw/zinc/67/40/04/348674004.db2.gz ZLXJXVNVFUTFMV-BLYZHGLHSA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)C1CC([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000597197862 348673928 /nfs/dbraw/zinc/67/39/28/348673928.db2.gz ZLXJXVNVFUTFMV-GFJIZPEISA-N 1 0 220.360 3.093 10 30 BGEERO CC(C)C1CC([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000597197864 348673746 /nfs/dbraw/zinc/67/37/46/348673746.db2.gz ZLXJXVNVFUTFMV-RYSNWHEDSA-N 1 0 220.360 3.093 10 30 BGEERO Cc1ccc(C[NH2+]C2(C(C)C)CC2)cc1C#N ZINC000599429326 349187685 /nfs/dbraw/zinc/18/76/85/349187685.db2.gz WTIHULLRTGLVNG-UHFFFAOYSA-N 1 0 228.339 3.145 10 30 BGEERO CC1(C)CC(C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000599466036 349191137 /nfs/dbraw/zinc/19/11/37/349191137.db2.gz YKIRKMRSWQWWPH-CHWSQXEVSA-N 1 0 220.360 3.095 10 30 BGEERO CC1(C)CC(C[NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000599466037 349192383 /nfs/dbraw/zinc/19/23/83/349192383.db2.gz YKIRKMRSWQWWPH-OLZOCXBDSA-N 1 0 220.360 3.095 10 30 BGEERO CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000599466038 349192632 /nfs/dbraw/zinc/19/26/32/349192632.db2.gz YKIRKMRSWQWWPH-QWHCGFSZSA-N 1 0 220.360 3.095 10 30 BGEERO CC1(C)CC(C[NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000599466039 349192636 /nfs/dbraw/zinc/19/26/36/349192636.db2.gz YKIRKMRSWQWWPH-STQMWFEESA-N 1 0 220.360 3.095 10 30 BGEERO CCN1CCC/C1=C/C=[NH+]c1ccccc1 ZINC000604935105 352389325 /nfs/dbraw/zinc/38/93/25/352389325.db2.gz RNQXYHUOCTZAGW-CQKVBOGOSA-N 1 0 214.312 3.389 10 30 BGEERO CCN1CCC/C1=C\C=[NH+]c1ccccc1 ZINC000604935106 352389317 /nfs/dbraw/zinc/38/93/17/352389317.db2.gz RNQXYHUOCTZAGW-WAVLUJIRSA-N 1 0 214.312 3.389 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000612585001 359896876 /nfs/dbraw/zinc/89/68/76/359896876.db2.gz GREOEOYJTJBPMG-AJNGGQMLSA-N 1 0 232.371 3.237 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000612585003 359897182 /nfs/dbraw/zinc/89/71/82/359897182.db2.gz GREOEOYJTJBPMG-LJISPDSOSA-N 1 0 232.371 3.237 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000612585004 359897377 /nfs/dbraw/zinc/89/73/77/359897377.db2.gz GREOEOYJTJBPMG-XGUBFFRZSA-N 1 0 232.371 3.237 10 30 BGEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000612585005 359897124 /nfs/dbraw/zinc/89/71/24/359897124.db2.gz GREOEOYJTJBPMG-ZQDZILKHSA-N 1 0 232.371 3.237 10 30 BGEERO CCCCCCC[NH2+][C@@H]1CCC[C@H]1F ZINC000616581182 349262621 /nfs/dbraw/zinc/26/26/21/349262621.db2.gz JJNTUMPTZAOKKV-VXGBXAGGSA-N 1 0 201.329 3.437 10 30 BGEERO CC[N@@H+]1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616601393 350782645 /nfs/dbraw/zinc/78/26/45/350782645.db2.gz BVQDPOZAENXJEY-HNNXBMFYSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616602669 350788303 /nfs/dbraw/zinc/78/83/03/350788303.db2.gz RVMDFJJCJHOROP-AWEZNQCLSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616602777 350787978 /nfs/dbraw/zinc/78/79/78/350787978.db2.gz OKQSNUDQCZSPPX-HNNXBMFYSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616603503 350790228 /nfs/dbraw/zinc/79/02/28/350790228.db2.gz VGMKTDKMRODLPW-AWEZNQCLSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616604220 350792859 /nfs/dbraw/zinc/79/28/59/350792859.db2.gz BVQDPOZAENXJEY-OAHLLOKOSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616605476 350795087 /nfs/dbraw/zinc/79/50/87/350795087.db2.gz LLDJKQXNSSPCAU-OAHLLOKOSA-N 1 0 228.339 3.495 10 30 BGEERO CC(C)[N@@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616606199 350796542 /nfs/dbraw/zinc/79/65/42/350796542.db2.gz BLAJTGIFDZUFNL-AWEZNQCLSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616606321 350797287 /nfs/dbraw/zinc/79/72/87/350797287.db2.gz BLAJTGIFDZUFNL-CQSZACIVSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616606373 350797219 /nfs/dbraw/zinc/79/72/19/350797219.db2.gz DNVXGRCZHBPBCQ-CQSZACIVSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607024 350798986 /nfs/dbraw/zinc/79/89/86/350798986.db2.gz OZXWCCLCJDHARM-CQSZACIVSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616607065 350799063 /nfs/dbraw/zinc/79/90/63/350799063.db2.gz DNVXGRCZHBPBCQ-AWEZNQCLSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)[N@@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616607377 350800978 /nfs/dbraw/zinc/80/09/78/350800978.db2.gz OZXWCCLCJDHARM-AWEZNQCLSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616607515 350800883 /nfs/dbraw/zinc/80/08/83/350800883.db2.gz UMANZIPBQSGKPK-CQSZACIVSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607596 350800887 /nfs/dbraw/zinc/80/08/87/350800887.db2.gz VOIDEYMYYWPWQY-CQSZACIVSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616607879 350801975 /nfs/dbraw/zinc/80/19/75/350801975.db2.gz ZOGPIYFPWQBWOH-CQSZACIVSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)[N@@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616607964 350802315 /nfs/dbraw/zinc/80/23/15/350802315.db2.gz ZOGPIYFPWQBWOH-AWEZNQCLSA-N 1 0 214.312 3.104 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616608419 350804619 /nfs/dbraw/zinc/80/46/19/350804619.db2.gz UMANZIPBQSGKPK-AWEZNQCLSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616608446 350804599 /nfs/dbraw/zinc/80/45/99/350804599.db2.gz VOIDEYMYYWPWQY-AWEZNQCLSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000616609841 350807711 /nfs/dbraw/zinc/80/77/11/350807711.db2.gz AUOGBJGJEUJXDJ-AWEZNQCLSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616612933 349606168 /nfs/dbraw/zinc/60/61/68/349606168.db2.gz BLKIPWOJYCUVAB-AWEZNQCLSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616613770 350067248 /nfs/dbraw/zinc/06/72/48/350067248.db2.gz QAUFQRBEZBJENG-AWEZNQCLSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@H](c2ccccc2C#N)C1 ZINC000616613848 350067874 /nfs/dbraw/zinc/06/78/74/350067874.db2.gz SFBBVKGSFZUSPB-ZDUSSCGKSA-N 1 0 228.339 3.146 10 30 BGEERO CC[N@@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616613921 350815262 /nfs/dbraw/zinc/81/52/62/350815262.db2.gz DZWUJFHWNDXWEA-CQSZACIVSA-N 1 0 214.312 3.105 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616614071 350820320 /nfs/dbraw/zinc/82/03/20/350820320.db2.gz BLKIPWOJYCUVAB-CQSZACIVSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616614181 350830282 /nfs/dbraw/zinc/83/02/82/350830282.db2.gz KHWREPNKBZQXKB-OAHLLOKOSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616614577 350835456 /nfs/dbraw/zinc/83/54/56/350835456.db2.gz QAUFQRBEZBJENG-CQSZACIVSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccccc2C#N)C1 ZINC000616614618 350836081 /nfs/dbraw/zinc/83/60/81/350836081.db2.gz SFBBVKGSFZUSPB-CYBMUJFWSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000616614836 398172426 /nfs/dbraw/zinc/17/24/26/398172426.db2.gz WULDNOSRQWVIBR-OAHLLOKOSA-N 1 0 228.339 3.494 10 30 BGEERO CC[N@@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000616615168 350845290 /nfs/dbraw/zinc/84/52/90/350845290.db2.gz DZWUJFHWNDXWEA-AWEZNQCLSA-N 1 0 214.312 3.105 10 30 BGEERO CC(C)[N@@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616615400 350846954 /nfs/dbraw/zinc/84/69/54/350846954.db2.gz IQWXDKLUFJMVSI-HNNXBMFYSA-N 1 0 228.339 3.494 10 30 BGEERO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616615429 350846889 /nfs/dbraw/zinc/84/68/89/350846889.db2.gz KHWREPNKBZQXKB-HNNXBMFYSA-N 1 0 228.339 3.494 10 30 BGEERO CC[N@@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616615518 350847257 /nfs/dbraw/zinc/84/72/57/350847257.db2.gz OVMFRXWBUQHYIJ-AWEZNQCLSA-N 1 0 214.312 3.105 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616616951 350858323 /nfs/dbraw/zinc/85/83/23/350858323.db2.gz AUOGBJGJEUJXDJ-CQSZACIVSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616617043 350859410 /nfs/dbraw/zinc/85/94/10/350859410.db2.gz GRPDGWCSKWSAAK-OAHLLOKOSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616617722 350873255 /nfs/dbraw/zinc/87/32/55/350873255.db2.gz GRPDGWCSKWSAAK-HNNXBMFYSA-N 1 0 228.339 3.146 10 30 BGEERO CC(C)[NH+]1CCC(c2ccccc2C#N)CC1 ZINC000616619378 350926683 /nfs/dbraw/zinc/92/66/83/350926683.db2.gz LOUNYYJGIWVXNF-UHFFFAOYSA-N 1 0 228.339 3.146 10 30 BGEERO CC[N@@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616620236 350938556 /nfs/dbraw/zinc/93/85/56/350938556.db2.gz DKGRWRXZZUVHDM-HNNXBMFYSA-N 1 0 228.339 3.495 10 30 BGEERO CC[N@@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616621209 350989219 /nfs/dbraw/zinc/98/92/19/350989219.db2.gz LLDJKQXNSSPCAU-HNNXBMFYSA-N 1 0 228.339 3.495 10 30 BGEERO C[N@@H+]1CCCCC[C@H]1c1ccc(C#N)cc1 ZINC000616621714 385806797 /nfs/dbraw/zinc/80/67/97/385806797.db2.gz OFGTZKDADRCYGZ-AWEZNQCLSA-N 1 0 214.312 3.105 10 30 BGEERO C[N@@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616621852 351083775 /nfs/dbraw/zinc/08/37/75/351083775.db2.gz PNKVNKUXRLYLNM-AWEZNQCLSA-N 1 0 214.312 3.105 10 30 BGEERO C[N@@H+]1CCCCC[C@H]1c1ccccc1C#N ZINC000616622139 398206716 /nfs/dbraw/zinc/20/67/16/398206716.db2.gz UZFLQBPKLICZCE-AWEZNQCLSA-N 1 0 214.312 3.105 10 30 BGEERO CC[N@@H+]1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616622443 343524535 /nfs/dbraw/zinc/52/45/35/343524535.db2.gz YRGAQEUSZNRMGX-HNNXBMFYSA-N 1 0 228.339 3.495 10 30 BGEERO CC[N@@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616622536 351086830 /nfs/dbraw/zinc/08/68/30/351086830.db2.gz DKGRWRXZZUVHDM-OAHLLOKOSA-N 1 0 228.339 3.495 10 30 BGEERO C[N@@H+]1CCCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616623582 351089538 /nfs/dbraw/zinc/08/95/38/351089538.db2.gz OFGTZKDADRCYGZ-CQSZACIVSA-N 1 0 214.312 3.105 10 30 BGEERO C[N@@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616623639 351089471 /nfs/dbraw/zinc/08/94/71/351089471.db2.gz PNKVNKUXRLYLNM-CQSZACIVSA-N 1 0 214.312 3.105 10 30 BGEERO C[N@@H+]1CCCCC[C@@H]1c1ccccc1C#N ZINC000616624033 351090857 /nfs/dbraw/zinc/09/08/57/351090857.db2.gz UZFLQBPKLICZCE-CQSZACIVSA-N 1 0 214.312 3.105 10 30 BGEERO CC[N@@H+]1CCCCC[C@@H]1c1cccc(C#N)c1 ZINC000616624336 351091770 /nfs/dbraw/zinc/09/17/70/351091770.db2.gz YRGAQEUSZNRMGX-OAHLLOKOSA-N 1 0 228.339 3.495 10 30 BGEERO CC(C)[N@@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616625262 351093941 /nfs/dbraw/zinc/09/39/41/351093941.db2.gz IQWXDKLUFJMVSI-OAHLLOKOSA-N 1 0 228.339 3.494 10 30 BGEERO CC[N@@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626013 351086638 /nfs/dbraw/zinc/08/66/38/351086638.db2.gz OVMFRXWBUQHYIJ-CQSZACIVSA-N 1 0 214.312 3.105 10 30 BGEERO CC[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616626758 351106853 /nfs/dbraw/zinc/10/68/53/351106853.db2.gz DTLBPTLDOAQOCJ-CQSZACIVSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616626900 351107250 /nfs/dbraw/zinc/10/72/50/351107250.db2.gz DTLBPTLDOAQOCJ-AWEZNQCLSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616627358 351094763 /nfs/dbraw/zinc/09/47/63/351094763.db2.gz KCIQLIACBVFETG-CYBMUJFWSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616627649 351095735 /nfs/dbraw/zinc/09/57/35/351095735.db2.gz KCIQLIACBVFETG-ZDUSSCGKSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616629117 351100180 /nfs/dbraw/zinc/10/01/80/351100180.db2.gz RVMDFJJCJHOROP-CQSZACIVSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616654836 351191180 /nfs/dbraw/zinc/19/11/80/351191180.db2.gz OKQSNUDQCZSPPX-OAHLLOKOSA-N 1 0 228.339 3.148 10 30 BGEERO CC[N@@H+]1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616656284 343531890 /nfs/dbraw/zinc/53/18/90/343531890.db2.gz VGMKTDKMRODLPW-CQSZACIVSA-N 1 0 228.339 3.148 10 30 BGEERO C=CCC1([NH2+]C[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000661850229 411900989 /nfs/dbraw/zinc/90/09/89/411900989.db2.gz FQMDLIYPEXLCDU-KBPBESRZSA-N 1 0 237.387 3.016 10 30 BGEERO C=CCC1([NH2+]C[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000661850232 411901077 /nfs/dbraw/zinc/90/10/77/411901077.db2.gz FQMDLIYPEXLCDU-KGLIPLIRSA-N 1 0 237.387 3.016 10 30 BGEERO C=CCC1([NH2+]C[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000661850233 411901672 /nfs/dbraw/zinc/90/16/72/411901672.db2.gz FQMDLIYPEXLCDU-UONOGXRCSA-N 1 0 237.387 3.016 10 30 BGEERO C=CCC1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000661850235 411901372 /nfs/dbraw/zinc/90/13/72/411901372.db2.gz FQMDLIYPEXLCDU-ZIAGYGMSSA-N 1 0 237.387 3.016 10 30 BGEERO C=CCc1cccc(C[N@H+]2CCC[C@H]2C)c1 ZINC000667946058 541433607 /nfs/dbraw/zinc/43/36/07/541433607.db2.gz JAOGMUGAHJYYRR-CYBMUJFWSA-N 1 0 215.340 3.399 10 30 BGEERO C=CCc1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000667946059 541433663 /nfs/dbraw/zinc/43/36/63/541433663.db2.gz JAOGMUGAHJYYRR-ZDUSSCGKSA-N 1 0 215.340 3.399 10 30 BGEERO C=CCc1ccccc1C[NH+]1CCCCC1 ZINC000667947689 537893347 /nfs/dbraw/zinc/89/33/47/537893347.db2.gz JSGUDNHBBDUDGV-UHFFFAOYSA-N 1 0 215.340 3.401 10 30 BGEERO C=CCC1(C=O)CC[NH+](Cc2ccccc2)CC1 ZINC000669372649 541436000 /nfs/dbraw/zinc/43/60/00/541436000.db2.gz UZNPGCCBVUPJSB-UHFFFAOYSA-N 1 0 243.350 3.044 10 30 BGEERO CCCC1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060076 538485694 /nfs/dbraw/zinc/48/56/94/538485694.db2.gz RNVKSPRTAVZCHG-HXSCFSKGSA-N 1 0 237.387 3.018 10 30 BGEERO CCCC1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060077 538486291 /nfs/dbraw/zinc/48/62/91/538486291.db2.gz RNVKSPRTAVZCHG-JYVUQVBGSA-N 1 0 237.387 3.018 10 30 BGEERO CCCC1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060078 538486140 /nfs/dbraw/zinc/48/61/40/538486140.db2.gz RNVKSPRTAVZCHG-OOJKYFRXSA-N 1 0 237.387 3.018 10 30 BGEERO CCCC1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060079 538485967 /nfs/dbraw/zinc/48/59/67/538485967.db2.gz RNVKSPRTAVZCHG-SHWKFHJASA-N 1 0 237.387 3.018 10 30 BGEERO C#CCC1([NH3+])CCC(C(C)(C)CC)CC1 ZINC000675074547 538507471 /nfs/dbraw/zinc/50/74/71/538507471.db2.gz ZJNBHSMNGYPFEH-UHFFFAOYSA-N 1 0 207.361 3.334 10 30 BGEERO CC(C)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000675075259 538509216 /nfs/dbraw/zinc/50/92/16/538509216.db2.gz JNLWURZUNPSRJI-UHFFFAOYSA-N 1 0 208.349 3.191 10 30 BGEERO N#[N+]N=C(NO)c1ccc(C2CC2)cc1 ZINC000685939448 538886111 /nfs/dbraw/zinc/88/61/11/538886111.db2.gz UQUSHUAANGQMQW-JLHYYAGUSA-N 1 0 202.217 3.010 10 30 BGEERO C=C(C)CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960440 538907718 /nfs/dbraw/zinc/90/77/18/538907718.db2.gz LVJXQVCHIUMSCY-UHFFFAOYSA-N 1 0 231.339 3.092 10 30 BGEERO C=CCCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960508 538907772 /nfs/dbraw/zinc/90/77/72/538907772.db2.gz OBZQJNZIYVOXOI-UHFFFAOYSA-N 1 0 231.339 3.092 10 30 BGEERO C=CCCCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960591 538907447 /nfs/dbraw/zinc/90/74/47/538907447.db2.gz TYIPHTZQGVJYLR-UHFFFAOYSA-N 1 0 245.366 3.482 10 30 BGEERO C=C(CC)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960636 538907470 /nfs/dbraw/zinc/90/74/70/538907470.db2.gz VTQRYJLNCFPRPB-UHFFFAOYSA-N 1 0 231.339 3.092 10 30 BGEERO C=C(OCC)C1CCC([NH2+]CCC)CC1 ZINC000685964998 538911443 /nfs/dbraw/zinc/91/14/43/538911443.db2.gz KDAWESJGDIGZRC-UHFFFAOYSA-N 1 0 211.349 3.095 10 30 BGEERO C#C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC000702280519 712044903 /nfs/dbraw/zinc/04/49/03/712044903.db2.gz HBFAAGMAKLKXOL-CABCVRRESA-N 1 0 227.351 3.311 10 30 BGEERO C#C[C@H]([NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC000702280521 712045141 /nfs/dbraw/zinc/04/51/41/712045141.db2.gz HBFAAGMAKLKXOL-GJZGRUSLSA-N 1 0 227.351 3.311 10 30 BGEERO C#C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC000702280522 712044729 /nfs/dbraw/zinc/04/47/29/712044729.db2.gz HBFAAGMAKLKXOL-HUUCEWRRSA-N 1 0 227.351 3.311 10 30 BGEERO C#C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC000702280523 712044905 /nfs/dbraw/zinc/04/49/05/712044905.db2.gz HBFAAGMAKLKXOL-LSDHHAIUSA-N 1 0 227.351 3.311 10 30 BGEERO CCCCCCCCCn1cc[nH+]c1N ZINC000702466287 582926703 /nfs/dbraw/zinc/92/67/03/582926703.db2.gz JFPRLPRPVRICDK-UHFFFAOYSA-N 1 0 209.337 3.216 10 30 BGEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712631262 712438951 /nfs/dbraw/zinc/43/89/51/712438951.db2.gz VLHGYMKCDALFOG-QPSCCSFWSA-N 1 0 232.371 3.095 10 30 BGEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712669275 712440064 /nfs/dbraw/zinc/44/00/64/712440064.db2.gz VLHGYMKCDALFOG-APIJFGDWSA-N 1 0 232.371 3.095 10 30 BGEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712669276 712439842 /nfs/dbraw/zinc/43/98/42/712439842.db2.gz VLHGYMKCDALFOG-CBBWQLFWSA-N 1 0 232.371 3.095 10 30 BGEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712669277 712439926 /nfs/dbraw/zinc/43/99/26/712439926.db2.gz VLHGYMKCDALFOG-KBXIAJHMSA-N 1 0 232.371 3.095 10 30 BGEERO CC1(C)CCCCC[C@H]1[NH2+]CCCC#N ZINC000718949743 712789727 /nfs/dbraw/zinc/78/97/27/712789727.db2.gz KZAOVLBRPWYPKV-GFCCVEGCSA-N 1 0 208.349 3.239 10 30 BGEERO CC1(C)CCCCC[C@@H]1[NH2+]CCCC#N ZINC000718949744 712789958 /nfs/dbraw/zinc/78/99/58/712789958.db2.gz KZAOVLBRPWYPKV-LBPRGKRZSA-N 1 0 208.349 3.239 10 30 BGEERO CC1(C)CCCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000718956592 712790140 /nfs/dbraw/zinc/79/01/40/712790140.db2.gz SWWIYEWMZYYHGF-GFCCVEGCSA-N 1 0 220.360 3.239 10 30 BGEERO CC1(C)CCCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000718956594 712790210 /nfs/dbraw/zinc/79/02/10/712790210.db2.gz SWWIYEWMZYYHGF-LBPRGKRZSA-N 1 0 220.360 3.239 10 30 BGEERO C=CCC[C@@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724023325 710736710 /nfs/dbraw/zinc/73/67/10/710736710.db2.gz NEECRLWHOLSQTK-CYBMUJFWSA-N 1 0 218.344 3.143 10 30 BGEERO C=CCC[C@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724023326 710737162 /nfs/dbraw/zinc/73/71/62/710737162.db2.gz NEECRLWHOLSQTK-ZDUSSCGKSA-N 1 0 218.344 3.143 10 30 BGEERO Cc1cnc(C[NH2+][C@H](C)CC(C)(C)C#N)c(C)c1 ZINC000724096209 711560449 /nfs/dbraw/zinc/56/04/49/711560449.db2.gz VEPFROSOGHCXGF-CYBMUJFWSA-N 1 0 245.370 3.116 10 30 BGEERO Cc1cnc(C[NH2+][C@@H](C)CC(C)(C)C#N)c(C)c1 ZINC000724096210 711560512 /nfs/dbraw/zinc/56/05/12/711560512.db2.gz VEPFROSOGHCXGF-ZDUSSCGKSA-N 1 0 245.370 3.116 10 30 BGEERO C=C1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000724492426 710742567 /nfs/dbraw/zinc/74/25/67/710742567.db2.gz VVQQRHVTJCNOMT-KFWWJZLASA-N 1 0 249.398 3.136 10 30 BGEERO C=C1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000724492429 710742663 /nfs/dbraw/zinc/74/26/63/710742663.db2.gz VVQQRHVTJCNOMT-RBSFLKMASA-N 1 0 249.398 3.136 10 30 BGEERO C=C1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000724492433 710741736 /nfs/dbraw/zinc/74/17/36/710741736.db2.gz VVQQRHVTJCNOMT-RRFJBIMHSA-N 1 0 249.398 3.136 10 30 BGEERO C=C1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000724492436 710742186 /nfs/dbraw/zinc/74/21/86/710742186.db2.gz VVQQRHVTJCNOMT-ZNMIVQPWSA-N 1 0 249.398 3.136 10 30 BGEERO N#CCc1ccc(C2=CC[C@@]3(C[C@H]3[NH3+])CC2)cc1 ZINC000725265193 538092122 /nfs/dbraw/zinc/09/21/22/538092122.db2.gz MUGPKMXWVTZRAG-CVEARBPZSA-N 1 0 238.334 3.037 10 30 BGEERO N#CCc1ccc(C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)cc1 ZINC000725265194 538091832 /nfs/dbraw/zinc/09/18/32/538091832.db2.gz MUGPKMXWVTZRAG-HOTGVXAUSA-N 1 0 238.334 3.037 10 30 BGEERO N#CCc1ccc(C2=CC[C@]3(C[C@H]3[NH3+])CC2)cc1 ZINC000725265195 538092278 /nfs/dbraw/zinc/09/22/78/538092278.db2.gz MUGPKMXWVTZRAG-HZPDHXFCSA-N 1 0 238.334 3.037 10 30 BGEERO N#CCc1ccc(C2=CC[C@]3(C[C@@H]3[NH3+])CC2)cc1 ZINC000725265196 538092012 /nfs/dbraw/zinc/09/20/12/538092012.db2.gz MUGPKMXWVTZRAG-JKSUJKDBSA-N 1 0 238.334 3.037 10 30 BGEERO C=CC[C@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000757151735 643343259 /nfs/dbraw/zinc/34/32/59/643343259.db2.gz JHWBKQLCYBVSHP-GFCCVEGCSA-N 1 0 223.747 3.355 10 30 BGEERO C=CC[C@@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000757151749 643344013 /nfs/dbraw/zinc/34/40/13/643344013.db2.gz JHWBKQLCYBVSHP-LBPRGKRZSA-N 1 0 223.747 3.355 10 30 BGEERO C#CC(C)(C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757152368 643342866 /nfs/dbraw/zinc/34/28/66/643342866.db2.gz KPLPQVIQKYNMML-UHFFFAOYSA-N 1 0 221.731 3.150 10 30 BGEERO C=CC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757153697 582538132 /nfs/dbraw/zinc/53/81/32/582538132.db2.gz QEFKRCSSZAZIKL-LLVKDONJSA-N 1 0 209.720 3.094 10 30 BGEERO C=CC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757153698 582538254 /nfs/dbraw/zinc/53/82/54/582538254.db2.gz QEFKRCSSZAZIKL-NSHDSACASA-N 1 0 209.720 3.094 10 30 BGEERO CN/C(=[NH+]/C)SCc1ccc(Cl)c(C)c1 ZINC000757155436 582540065 /nfs/dbraw/zinc/54/00/65/582540065.db2.gz BSZBOFJTHQJDKN-UHFFFAOYSA-N 1 0 242.775 3.087 10 30 BGEERO C#CCC[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000757155944 582539844 /nfs/dbraw/zinc/53/98/44/582539844.db2.gz FWOUCQFWZBJWTC-UHFFFAOYSA-N 1 0 221.731 3.104 10 30 BGEERO C=CC[C@@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156632 586430577 /nfs/dbraw/zinc/43/05/77/586430577.db2.gz JEHCQACFDOPWLG-GFCCVEGCSA-N 1 0 223.747 3.342 10 30 BGEERO C=CC[C@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757156641 586430427 /nfs/dbraw/zinc/43/04/27/586430427.db2.gz JEHCQACFDOPWLG-LBPRGKRZSA-N 1 0 223.747 3.342 10 30 BGEERO C=C[C@@](C)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757162005 586432608 /nfs/dbraw/zinc/43/26/08/586432608.db2.gz ZHVADWUFJUZFHI-CYBMUJFWSA-N 1 0 223.747 3.342 10 30 BGEERO C=C[C@](C)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757162006 586432455 /nfs/dbraw/zinc/43/24/55/586432455.db2.gz ZHVADWUFJUZFHI-ZDUSSCGKSA-N 1 0 223.747 3.342 10 30 BGEERO C=C(C[NH2+]CC)CSCc1ccc(Cl)o1 ZINC000757168943 582549984 /nfs/dbraw/zinc/54/99/84/582549984.db2.gz DRXVUMCYLRIHIQ-UHFFFAOYSA-N 1 0 245.775 3.332 10 30 BGEERO C=CC[NH2+]C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757172536 582552026 /nfs/dbraw/zinc/55/20/26/582552026.db2.gz XXBWUIACWOEPKQ-SECBINFHSA-N 1 0 245.775 3.330 10 30 BGEERO C=CC[NH2+]C[C@H](C)SCc1ccc(Cl)o1 ZINC000757172537 582551749 /nfs/dbraw/zinc/55/17/49/582551749.db2.gz XXBWUIACWOEPKQ-VIFPVBQESA-N 1 0 245.775 3.330 10 30 BGEERO