smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000585086140 1049452209 /nfs/dbraw/zinc/45/22/09/1049452209.db2.gz MBHUABYAVQDSMN-JTQLQIEISA-N 1 1 339.748 4.476 50 30 EIEAMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)nc1Cl ZINC000585086141 1049453858 /nfs/dbraw/zinc/45/38/58/1049453858.db2.gz MBHUABYAVQDSMN-SNVBAGLBSA-N 1 1 339.748 4.476 50 30 EIEAMO CC(C)(C)c1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019771386 202019758 /nfs/dbraw/zinc/01/97/58/202019758.db2.gz RMYIUGFSRSMNJR-HAVVHWLPSA-N 1 1 335.495 4.136 50 30 EIEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1Cl ZINC000023674817 202107069 /nfs/dbraw/zinc/10/70/69/202107069.db2.gz DGHBYWFUZOBFRN-OQKWZONESA-N 1 1 341.886 4.190 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC[C@H]4C)[C@H]3C[C@@H]12 ZINC000252693508 518661595 /nfs/dbraw/zinc/66/15/95/518661595.db2.gz DLJKJOVMBJSDEP-OETXXJDVSA-N 1 1 331.500 4.175 50 30 EIEAMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491696 519034938 /nfs/dbraw/zinc/03/49/38/519034938.db2.gz HQKLOTGDMRWIDO-QGZVFWFLSA-N 1 1 338.451 4.019 50 30 EIEAMO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491696 519034946 /nfs/dbraw/zinc/03/49/46/519034946.db2.gz HQKLOTGDMRWIDO-QGZVFWFLSA-N 1 1 338.451 4.019 50 30 EIEAMO CC(C)=CCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000061997607 564002640 /nfs/dbraw/zinc/00/26/40/564002640.db2.gz AFMPMXZCZYIPAS-SFTDATJTSA-N 1 1 326.484 4.109 50 30 biogenic EIEAMO CC(C)=CCC[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000061997607 564002641 /nfs/dbraw/zinc/00/26/41/564002641.db2.gz AFMPMXZCZYIPAS-SFTDATJTSA-N 1 1 326.484 4.109 50 30 biogenic EIEAMO CC(C)=CCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000061997608 564002645 /nfs/dbraw/zinc/00/26/45/564002645.db2.gz AFMPMXZCZYIPAS-LEWJYISDSA-N 1 1 326.484 4.109 50 30 biogenic EIEAMO CC(C)=CCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000061997608 564002646 /nfs/dbraw/zinc/00/26/46/564002646.db2.gz AFMPMXZCZYIPAS-LEWJYISDSA-N 1 1 326.484 4.109 50 30 biogenic EIEAMO CCc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019826224 202022802 /nfs/dbraw/zinc/02/28/02/202022802.db2.gz SVADOTKRZCVIMD-XQNSMLJCSA-N 1 1 335.495 4.018 50 30 EIEAMO C[NH+](C)Cc1ccc([C@@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC000072126376 203164947 /nfs/dbraw/zinc/16/49/47/203164947.db2.gz ABHCQGBEUIEUJC-QFIPXVFZSA-N 1 1 333.479 4.347 50 30 EIEAMO C=C(C)[C@H]1CC=C(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000004987598 210350527 /nfs/dbraw/zinc/35/05/27/210350527.db2.gz LBURCMZXGXUKNQ-KRWDZBQOSA-N 1 1 327.468 4.365 50 30 EIEAMO C=C(C)COc1ccccc1C[NH2+][C@H](C)c1cn2ccsc2n1 ZINC000055341018 518622866 /nfs/dbraw/zinc/62/28/66/518622866.db2.gz ZBZKHDWYSGIWFM-CQSZACIVSA-N 1 1 327.453 4.202 50 30 EIEAMO C=CC[N@@H+](Cc1cccn1-c1ccccn1)Cc1cccc(OC)c1 ZINC000055371057 518788752 /nfs/dbraw/zinc/78/87/52/518788752.db2.gz QQNRWHRKWRUTQV-UHFFFAOYSA-N 1 1 333.435 4.069 50 30 EIEAMO C=CCn1cc(C[NH2+]Cc2cc(Cl)ccc2OCCC)c(C)n1 ZINC000055326157 519281809 /nfs/dbraw/zinc/28/18/09/519281809.db2.gz AMHJMNIUQFTWSJ-UHFFFAOYSA-N 1 1 333.863 4.110 50 30 EIEAMO C=CC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2cccc(C)c2)C1 ZINC000007992840 564072186 /nfs/dbraw/zinc/07/21/86/564072186.db2.gz HLNOXCRCYMOMLA-QGZVFWFLSA-N 1 1 343.854 4.236 50 30 in-vitro EIEAMO Clc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000245238230 564075063 /nfs/dbraw/zinc/07/50/63/564075063.db2.gz GWDVJORTNAILEB-UHFFFAOYSA-N 1 1 348.277 4.145 50 30 EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@H+]2CCC[C@@H](c3cccnc3)C2)O1 ZINC000015276562 564079422 /nfs/dbraw/zinc/07/94/22/564079422.db2.gz NUNVPUXDSPVZBU-CTNGQTDRSA-N 1 1 326.484 4.002 50 30 EIEAMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007421483 564108307 /nfs/dbraw/zinc/10/83/07/564108307.db2.gz VKLPUQRXGUPZMQ-INIZCTEOSA-N 1 1 335.451 4.141 50 30 EIEAMO Fc1ccc(C[N@H+](CC#Cc2ccccc2)CCc2ccccn2)cc1 ZINC000170611948 564109757 /nfs/dbraw/zinc/10/97/57/564109757.db2.gz RSVDHUNJGBXIPZ-UHFFFAOYSA-N 1 1 344.433 4.317 50 30 EIEAMO CC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771808 564134884 /nfs/dbraw/zinc/13/48/84/564134884.db2.gz SLUZAVSIPVCVMI-SFHVURJKSA-N 1 1 332.407 4.051 50 30 EIEAMO CC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771808 564134885 /nfs/dbraw/zinc/13/48/85/564134885.db2.gz SLUZAVSIPVCVMI-SFHVURJKSA-N 1 1 332.407 4.051 50 30 EIEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCCCCC1 ZINC000008119219 564162838 /nfs/dbraw/zinc/16/28/38/564162838.db2.gz HTEQKGIUBWOSSG-AWEZNQCLSA-N 1 1 345.512 4.092 50 30 EIEAMO C[C@@H](c1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1)[NH+](C)C ZINC000216432289 241190533 /nfs/dbraw/zinc/19/05/33/241190533.db2.gz UWTGUAOTQRAKMW-IBGZPJMESA-N 1 1 347.506 4.367 50 30 EIEAMO C=CCn1cc(C[N@H+](Cc2ccc(SC)cc2)C2CC2)c(C)n1 ZINC000055228440 519278061 /nfs/dbraw/zinc/27/80/61/519278061.db2.gz WQEAIKSPYUBTDS-UHFFFAOYSA-N 1 1 327.497 4.264 50 30 EIEAMO O=C(CC[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1 ZINC000022199648 527588140 /nfs/dbraw/zinc/58/81/40/527588140.db2.gz VCNDLBSCBWPJDG-QGZVFWFLSA-N 1 1 344.480 4.407 50 30 EIEAMO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094250 564056220 /nfs/dbraw/zinc/05/62/20/564056220.db2.gz TYIBTRVUYRMDPT-LBPRGKRZSA-N 1 1 328.378 4.425 50 30 EIEAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094250 564056221 /nfs/dbraw/zinc/05/62/21/564056221.db2.gz TYIBTRVUYRMDPT-LBPRGKRZSA-N 1 1 328.378 4.425 50 30 EIEAMO Clc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000244858653 564075071 /nfs/dbraw/zinc/07/50/71/564075071.db2.gz VPLQVVWFZJGKDT-UHFFFAOYSA-N 1 1 348.277 4.145 50 30 EIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095356 564095926 /nfs/dbraw/zinc/09/59/26/564095926.db2.gz WCPKEWCQXWGQJI-LJQANCHMSA-N 1 1 343.442 4.164 50 30 EIEAMO N#Cc1ccc(OCC[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089866580 564114432 /nfs/dbraw/zinc/11/44/32/564114432.db2.gz JGPKNUQEVJPZSV-UHFFFAOYSA-N 1 1 343.430 4.208 50 30 EIEAMO N#Cc1ccc(Oc2cc(F)c(C[NH+]3CCCC3)c(Cl)c2)nc1 ZINC000067856280 564134923 /nfs/dbraw/zinc/13/49/23/564134923.db2.gz PITUPKHIZLTBKP-UHFFFAOYSA-N 1 1 331.778 4.134 50 30 EIEAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055133182 214277718 /nfs/dbraw/zinc/27/77/18/214277718.db2.gz RYSJBDXZIHNSAC-LJQANCHMSA-N 1 1 337.850 4.286 50 30 EIEAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055133182 214277721 /nfs/dbraw/zinc/27/77/21/214277721.db2.gz RYSJBDXZIHNSAC-LJQANCHMSA-N 1 1 337.850 4.286 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000020171328 202035788 /nfs/dbraw/zinc/03/57/88/202035788.db2.gz SNXULOYGVLUAND-HYARGMPZSA-N 1 1 341.886 4.109 50 30 EIEAMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037191871 202337388 /nfs/dbraw/zinc/33/73/88/202337388.db2.gz YYGLKCAMHDVPCA-AAEUAGOBSA-N 1 1 348.796 4.459 50 30 EIEAMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000037191871 202337390 /nfs/dbraw/zinc/33/73/90/202337390.db2.gz YYGLKCAMHDVPCA-AAEUAGOBSA-N 1 1 348.796 4.459 50 30 EIEAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C2)n1 ZINC000072147440 203171472 /nfs/dbraw/zinc/17/14/72/203171472.db2.gz TWIIDOHPLYTUOX-GOSISDBHSA-N 1 1 346.434 4.079 50 30 EIEAMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1C#N ZINC000077505009 203392265 /nfs/dbraw/zinc/39/22/65/203392265.db2.gz YJWBVYAECGWKGP-QGZVFWFLSA-N 1 1 336.464 4.326 50 30 EIEAMO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1C#N ZINC000077505009 203392267 /nfs/dbraw/zinc/39/22/67/203392267.db2.gz YJWBVYAECGWKGP-QGZVFWFLSA-N 1 1 336.464 4.326 50 30 EIEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3)o2)C1 ZINC000091973914 218096818 /nfs/dbraw/zinc/09/68/18/218096818.db2.gz PIDNWHBJLWMLPJ-NRFANRHFSA-N 1 1 341.451 4.106 50 30 EIEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012902316 564077721 /nfs/dbraw/zinc/07/77/21/564077721.db2.gz MJEYEEWUEYSYNC-MRXNPFEDSA-N 1 1 343.430 4.170 50 30 EIEAMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191446329 564085920 /nfs/dbraw/zinc/08/59/20/564085920.db2.gz OWDONOFHPBQQCK-MSOLQXFVSA-N 1 1 341.499 4.239 50 30 EIEAMO C=C[C@@H](CC(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000095442937 564140487 /nfs/dbraw/zinc/14/04/87/564140487.db2.gz DBLBAWONSHQZDA-SFHVURJKSA-N 1 1 349.478 4.153 50 30 EIEAMO Cc1nc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)o1 ZINC000027794003 202160058 /nfs/dbraw/zinc/16/00/58/202160058.db2.gz GNUXUFYBELUMTN-QGZVFWFLSA-N 1 1 344.846 4.147 50 30 EIEAMO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559879 202206830 /nfs/dbraw/zinc/20/68/30/202206830.db2.gz YMFXDNMNCFMHCY-KRWDZBQOSA-N 1 1 348.406 4.162 50 30 EIEAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559879 202206833 /nfs/dbraw/zinc/20/68/33/202206833.db2.gz YMFXDNMNCFMHCY-KRWDZBQOSA-N 1 1 348.406 4.162 50 30 EIEAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559878 202206994 /nfs/dbraw/zinc/20/69/94/202206994.db2.gz YMFXDNMNCFMHCY-QGZVFWFLSA-N 1 1 348.406 4.162 50 30 EIEAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000031559878 202206997 /nfs/dbraw/zinc/20/69/97/202206997.db2.gz YMFXDNMNCFMHCY-QGZVFWFLSA-N 1 1 348.406 4.162 50 30 EIEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1cccn1-c1ccccn1 ZINC000055041960 258014530 /nfs/dbraw/zinc/01/45/30/258014530.db2.gz KOUBCQNOEFPXRE-UHFFFAOYSA-N 1 1 329.447 4.136 50 30 EIEAMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(C#N)ccc1F ZINC000057473786 132200716 /nfs/dbraw/zinc/20/07/16/132200716.db2.gz HDNXYOQWNLEJTD-UHFFFAOYSA-N 1 1 337.442 4.320 50 30 EIEAMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(C#N)ccc1F ZINC000057473786 132200717 /nfs/dbraw/zinc/20/07/17/132200717.db2.gz HDNXYOQWNLEJTD-UHFFFAOYSA-N 1 1 337.442 4.320 50 30 EIEAMO C=C(C)[C@H]1CC=C(C[N@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000004987219 518645636 /nfs/dbraw/zinc/64/56/36/518645636.db2.gz FPJSJQBMZYKOBA-IBGZPJMESA-N 1 1 329.484 4.481 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102184 518726740 /nfs/dbraw/zinc/72/67/40/518726740.db2.gz CDZTWZFZFVVJKZ-FQEVSTJZSA-N 1 1 325.452 4.025 50 30 EIEAMO CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)cc1 ZINC000000027903 563211602 /nfs/dbraw/zinc/21/16/02/563211602.db2.gz SDUMVMBHAIQPDQ-XSFVSMFZSA-N 1 1 340.496 4.162 50 30 EIEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000004802453 563511309 /nfs/dbraw/zinc/51/13/09/563511309.db2.gz RDXOQHXGBPDXJQ-UHFFFAOYSA-N 1 1 343.597 4.124 50 30 EIEAMO C=CCc1cc(C[N@@H+](C)Cc2ccc(SC)cc2)c(O)c(OC)c1 ZINC000033034007 563932102 /nfs/dbraw/zinc/93/21/02/563932102.db2.gz AGWKPWWEPGKNAA-UHFFFAOYSA-N 1 1 343.492 4.483 50 30 EIEAMO N#CCC[C@H](C#N)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134858917 563996765 /nfs/dbraw/zinc/99/67/65/563996765.db2.gz PZFLKUPTCPQRMA-CQSZACIVSA-N 1 1 333.888 4.340 50 30 EIEAMO CC#CCCCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253370797 564130351 /nfs/dbraw/zinc/13/03/51/564130351.db2.gz WJEXMQGJVLJMDU-IRXDYDNUSA-N 1 1 325.374 4.007 50 30 EIEAMO CCc1cc(C#N)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000065531174 564134351 /nfs/dbraw/zinc/13/43/51/564134351.db2.gz DCZJDWJFVHXMDL-MRXNPFEDSA-N 1 1 347.462 4.357 50 30 EIEAMO CCC(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)(CC)OCCC#N ZINC000055246711 564134609 /nfs/dbraw/zinc/13/46/09/564134609.db2.gz RIVTVWBERKXSNN-FQEVSTJZSA-N 1 1 339.483 4.101 50 30 EIEAMO CCC(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)(CC)OCCC#N ZINC000055246711 564134610 /nfs/dbraw/zinc/13/46/10/564134610.db2.gz RIVTVWBERKXSNN-FQEVSTJZSA-N 1 1 339.483 4.101 50 30 EIEAMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 ZINC000067894131 564134952 /nfs/dbraw/zinc/13/49/52/564134952.db2.gz ROERUOXDRMLSAK-XZOQPEGZSA-N 1 1 342.442 4.062 50 30 EIEAMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000276359304 564137216 /nfs/dbraw/zinc/13/72/16/564137216.db2.gz AEAQFEJOWLZYSA-LPHOPBHVSA-N 1 1 341.499 4.096 50 30 EIEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCCCCC1 ZINC000008119220 564162800 /nfs/dbraw/zinc/16/28/00/564162800.db2.gz HTEQKGIUBWOSSG-CQSZACIVSA-N 1 1 345.512 4.092 50 30 EIEAMO Cc1cnc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791970 1036340501 /nfs/dbraw/zinc/34/05/01/1036340501.db2.gz VVNKNXSHCOIXHU-FQEVSTJZSA-N 1 1 336.483 4.099 50 30 EIEAMO CCN(CC)c1ccc(C=[NH+]NC(=S)Nc2cccc(C)c2)cc1 ZINC000252462426 1044709054 /nfs/dbraw/zinc/70/90/54/1044709054.db2.gz SDUMVMBHAIQPDQ-UHFFFAOYSA-N 1 1 340.496 4.162 50 30 EIEAMO C=C(C)COc1ccc(NC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000952961609 1049682074 /nfs/dbraw/zinc/68/20/74/1049682074.db2.gz GEVIQKRCSILYQA-LJQANCHMSA-N 1 1 342.414 4.022 50 30 EIEAMO C[C@H](c1cccc(CN2CCC(C#N)(c3ccccc3)CC2)c1)[NH+](C)C ZINC000216432327 241192980 /nfs/dbraw/zinc/19/29/80/241192980.db2.gz UWTGUAOTQRAKMW-LJQANCHMSA-N 1 1 347.506 4.367 50 30 EIEAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055060813 258014898 /nfs/dbraw/zinc/01/48/98/258014898.db2.gz QSLSLXFOTHJLPP-LJQANCHMSA-N 1 1 349.499 4.355 50 30 EIEAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055060813 258014899 /nfs/dbraw/zinc/01/48/99/258014899.db2.gz QSLSLXFOTHJLPP-LJQANCHMSA-N 1 1 349.499 4.355 50 30 EIEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cnn(CCC)c1C ZINC000055413788 519068420 /nfs/dbraw/zinc/06/84/20/519068420.db2.gz RTUHGUJLDMPECX-UHFFFAOYSA-N 1 1 327.472 4.188 50 30 EIEAMO C=CCOc1ccccc1C[N@H+](CC)Cc1cnn(CCC)c1C ZINC000055413788 519068426 /nfs/dbraw/zinc/06/84/26/519068426.db2.gz RTUHGUJLDMPECX-UHFFFAOYSA-N 1 1 327.472 4.188 50 30 EIEAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cc1 ZINC000055225699 525971997 /nfs/dbraw/zinc/97/19/97/525971997.db2.gz ARYIHUKPMACABP-HXUWFJFHSA-N 1 1 349.499 4.355 50 30 EIEAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000055225699 525972005 /nfs/dbraw/zinc/97/20/05/525972005.db2.gz ARYIHUKPMACABP-HXUWFJFHSA-N 1 1 349.499 4.355 50 30 EIEAMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1C(F)(F)F ZINC000059931839 563742069 /nfs/dbraw/zinc/74/20/69/563742069.db2.gz SFMPIZYOJMMYFE-UHFFFAOYSA-N 1 1 334.341 4.088 50 30 EIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1 ZINC000000263970 563989817 /nfs/dbraw/zinc/98/98/17/563989817.db2.gz MOGWTJLPQBCAED-XSFVSMFZSA-N 1 1 340.496 4.162 50 30 EIEAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000047778180 564029708 /nfs/dbraw/zinc/02/97/08/564029708.db2.gz BPDPIAMBMDFSDW-KDURUIRLSA-N 1 1 347.506 4.326 50 30 EIEAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000047778180 564029709 /nfs/dbraw/zinc/02/97/09/564029709.db2.gz BPDPIAMBMDFSDW-KDURUIRLSA-N 1 1 347.506 4.326 50 30 EIEAMO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000047778181 564029718 /nfs/dbraw/zinc/02/97/18/564029718.db2.gz BPDPIAMBMDFSDW-OALUTQOASA-N 1 1 347.506 4.326 50 30 EIEAMO CC1(C)CCC[C@](C)(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111372 564118063 /nfs/dbraw/zinc/11/80/63/564118063.db2.gz MGHSLDDBTFCNLI-TZIWHRDSSA-N 1 1 326.484 4.350 50 30 EIEAMO CC1(C)CCC[C@](C)(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111372 564118064 /nfs/dbraw/zinc/11/80/64/564118064.db2.gz MGHSLDDBTFCNLI-TZIWHRDSSA-N 1 1 326.484 4.350 50 30 EIEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000007785838 564123343 /nfs/dbraw/zinc/12/33/43/564123343.db2.gz FNSALFZCCRNVFO-MRXNPFEDSA-N 1 1 343.430 4.170 50 30 EIEAMO N#Cc1cccc(Oc2cc(F)c(C[NH+]3CCCC3)c(Cl)c2)n1 ZINC000067690555 564134889 /nfs/dbraw/zinc/13/48/89/564134889.db2.gz OMOYCFIUBMTWQJ-UHFFFAOYSA-N 1 1 331.778 4.134 50 30 EIEAMO C[C@H]1SCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000282086356 564146012 /nfs/dbraw/zinc/14/60/12/564146012.db2.gz UWKOSPQMEPJQNK-IEBWSBKVSA-N 1 1 344.524 4.266 50 30 EIEAMO CC1(C)CCC[C@](C)(C#CC[N@H+]2CCC[C@H](c3cccnc3)C2)O1 ZINC000004575186 210225226 /nfs/dbraw/zinc/22/52/26/210225226.db2.gz NUNVPUXDSPVZBU-PZJWPPBQSA-N 1 1 326.484 4.002 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000019833100 202022004 /nfs/dbraw/zinc/02/20/04/202022004.db2.gz AYZDLHIDZUGOSF-JJIBRWJFSA-N 1 1 349.522 4.444 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000033089326 202249359 /nfs/dbraw/zinc/24/93/59/202249359.db2.gz AYZDLHIDZUGOSF-ULJHMMPZSA-N 1 1 349.522 4.444 50 30 EIEAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C2)n1 ZINC000072147441 203171354 /nfs/dbraw/zinc/17/13/54/203171354.db2.gz TWIIDOHPLYTUOX-SFHVURJKSA-N 1 1 346.434 4.079 50 30 EIEAMO CC(/C=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)=C/c1ccccc1 ZINC000013636110 258056233 /nfs/dbraw/zinc/05/62/33/258056233.db2.gz UOHOVYKBZWJONO-QCNXKRQXSA-N 1 1 333.479 4.202 50 30 EIEAMO C[N@@H+](CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000061994958 564002878 /nfs/dbraw/zinc/00/28/78/564002878.db2.gz AURYKVIMWJYXOO-UHFFFAOYSA-N 1 1 341.454 4.058 50 30 EIEAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000014855719 564025024 /nfs/dbraw/zinc/02/50/24/564025024.db2.gz ZNLFBRMABXXWFC-FQEVSTJZSA-N 1 1 348.446 4.000 50 30 EIEAMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282105144 564146099 /nfs/dbraw/zinc/14/60/99/564146099.db2.gz WLJWOMPKZJWTHG-SJLPKXTDSA-N 1 1 330.472 4.462 50 30 EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)O1 ZINC000004000000 564159913 /nfs/dbraw/zinc/15/99/13/564159913.db2.gz MGHSLDDBTFCNLI-FPOVZHCZSA-N 1 1 326.484 4.350 50 30 biogenic EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)O1 ZINC000004000000 564159914 /nfs/dbraw/zinc/15/99/14/564159914.db2.gz MGHSLDDBTFCNLI-FPOVZHCZSA-N 1 1 326.484 4.350 50 30 biogenic EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000019800699 202022897 /nfs/dbraw/zinc/02/28/97/202022897.db2.gz QGVJEJVKSHEMCS-HJEIRYQDSA-N 1 1 333.479 4.120 50 30 EIEAMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1 ZINC000019901668 202024977 /nfs/dbraw/zinc/02/49/77/202024977.db2.gz MPHFUNAZQBMGND-XLNRJJMWSA-N 1 1 341.886 4.190 50 30 EIEAMO C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cc[nH+]c1C ZINC000000544647 209657796 /nfs/dbraw/zinc/65/77/96/209657796.db2.gz QPJDLUPNUNZLRX-UHFFFAOYSA-N 1 1 341.418 4.280 50 30 EIEAMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894783 202279736 /nfs/dbraw/zinc/27/97/36/202279736.db2.gz DQGCEQNDUWHVMR-ZFWWWQNUSA-N 1 1 328.378 4.114 50 30 EIEAMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894783 202279738 /nfs/dbraw/zinc/27/97/38/202279738.db2.gz DQGCEQNDUWHVMR-ZFWWWQNUSA-N 1 1 328.378 4.114 50 30 EIEAMO C[NH+](C)Cc1ccc([C@H]2CCCCN2Cc2ccccc2C#N)cc1 ZINC000072126377 203165057 /nfs/dbraw/zinc/16/50/57/203165057.db2.gz ABHCQGBEUIEUJC-JOCHJYFZSA-N 1 1 333.479 4.347 50 30 EIEAMO Cl/C(C=NN1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000245327757 258000258 /nfs/dbraw/zinc/00/02/58/258000258.db2.gz QKKCESWVVGBVCJ-CWWMYSCLSA-N 1 1 339.870 4.070 50 30 EIEAMO C=C(C)COc1ccccc1C[NH2+][C@@H](C)c1cn2ccsc2n1 ZINC000055341016 518622822 /nfs/dbraw/zinc/62/28/22/518622822.db2.gz ZBZKHDWYSGIWFM-AWEZNQCLSA-N 1 1 327.453 4.202 50 30 EIEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccccc2-c2ccccc2)c1 ZINC000005013614 524150979 /nfs/dbraw/zinc/15/09/79/524150979.db2.gz HFKMVHLPZIDBJA-UHFFFAOYSA-N 1 1 330.387 4.139 50 30 EIEAMO ClC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C/c1ccccc1 ZINC000020171609 526923131 /nfs/dbraw/zinc/92/31/31/526923131.db2.gz QKKCESWVVGBVCJ-RQRAPYSXSA-N 1 1 339.870 4.070 50 30 EIEAMO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)s1 ZINC000008552958 563632314 /nfs/dbraw/zinc/63/23/14/563632314.db2.gz ICPFXFSGISISIK-UHFFFAOYSA-N 1 1 336.844 4.176 50 30 EIEAMO CC(=NN1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1 ZINC000252620926 563998009 /nfs/dbraw/zinc/99/80/09/563998009.db2.gz MPHFUNAZQBMGND-UHFFFAOYSA-N 1 1 341.886 4.190 50 30 EIEAMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000252484467 564119261 /nfs/dbraw/zinc/11/92/61/564119261.db2.gz FXFZTRWKJAMCHY-AWEZNQCLSA-N 1 1 346.272 4.072 50 30 EIEAMO C[C@H]1SCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000282086360 564146015 /nfs/dbraw/zinc/14/60/15/564146015.db2.gz UWKOSPQMEPJQNK-MJGOQNOKSA-N 1 1 344.524 4.266 50 30 EIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(OC)ccc(Cl)c2c1=O ZINC000008717390 564166835 /nfs/dbraw/zinc/16/68/35/564166835.db2.gz KFXYFCJJZPFELM-UHFFFAOYSA-N 1 1 332.831 4.085 50 30 EIEAMO CC[C@@H]1CS/C(=[NH+]\CCOC)N1Cc1ccc(Cl)cc1Cl ZINC000013148126 1031492477 /nfs/dbraw/zinc/49/24/77/1031492477.db2.gz RNOBYNFNPHVJFC-ZLMULJHYSA-N 1 1 347.311 4.323 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC[C@@H]4C)[C@H]3C[C@H]12 ZINC000004028398 210102618 /nfs/dbraw/zinc/10/26/18/210102618.db2.gz DLJKJOVMBJSDEP-YKFXCJJJSA-N 1 1 331.500 4.175 50 30 biogenic EIEAMO N#Cc1ccnc(Oc2cc(F)c(C[NH+]3CCCC3)c(Cl)c2)c1 ZINC000067983443 215268025 /nfs/dbraw/zinc/26/80/25/215268025.db2.gz BXYFRJBDVUHHKO-UHFFFAOYSA-N 1 1 331.778 4.134 50 30 EIEAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000011436503 211216343 /nfs/dbraw/zinc/21/63/43/211216343.db2.gz ZCKYGTOIKMQORW-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000011436503 211216345 /nfs/dbraw/zinc/21/63/45/211216345.db2.gz ZCKYGTOIKMQORW-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104215 518725866 /nfs/dbraw/zinc/72/58/66/518725866.db2.gz AKGYGGACYBPOCX-IBGZPJMESA-N 1 1 349.396 4.433 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104215 518725873 /nfs/dbraw/zinc/72/58/73/518725873.db2.gz AKGYGGACYBPOCX-IBGZPJMESA-N 1 1 349.396 4.433 50 30 EIEAMO CCc1cc(C#N)ccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000065531172 564134349 /nfs/dbraw/zinc/13/43/49/564134349.db2.gz DCZJDWJFVHXMDL-INIZCTEOSA-N 1 1 347.462 4.357 50 30 EIEAMO C=CCNc1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC000003476907 564158345 /nfs/dbraw/zinc/15/83/45/564158345.db2.gz FRXZYEGTIMOXNM-UHFFFAOYSA-N 1 1 342.512 4.010 50 30 EIEAMO C[C@@H]1CCC[N@H+]1CC[C@H]1Cc2cc(-c3ccc(C#N)cc3)ccc2O1 ZINC000032831367 1045089533 /nfs/dbraw/zinc/08/95/33/1045089533.db2.gz MLKLMMHXAFOMLR-IERDGZPVSA-N 1 1 332.447 4.403 50 30 EIEAMO N#CCSCCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000095441624 218386056 /nfs/dbraw/zinc/38/60/56/218386056.db2.gz RBXHNCUYPIPHNK-OAQYLSRUSA-N 1 1 336.504 4.475 50 30 EIEAMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491698 519032470 /nfs/dbraw/zinc/03/24/70/519032470.db2.gz HQKLOTGDMRWIDO-KRWDZBQOSA-N 1 1 338.451 4.019 50 30 EIEAMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000003491698 519032477 /nfs/dbraw/zinc/03/24/77/519032477.db2.gz HQKLOTGDMRWIDO-KRWDZBQOSA-N 1 1 338.451 4.019 50 30 EIEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1c2ccccc2nn1C ZINC000055369301 519067744 /nfs/dbraw/zinc/06/77/44/519067744.db2.gz GCKMTAZZFUFPLW-UHFFFAOYSA-N 1 1 335.451 4.160 50 30 EIEAMO [NH2+]=C(Cc1cccs1)NOC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004394981 526813906 /nfs/dbraw/zinc/81/39/06/526813906.db2.gz JHCYZEMGUGKKIU-UHFFFAOYSA-N 1 1 344.223 4.118 50 30 EIEAMO CC(=C\c1ccccc1)/C=N\N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000033089331 563963483 /nfs/dbraw/zinc/96/34/83/563963483.db2.gz UOHOVYKBZWJONO-CSEVQEJTSA-N 1 1 333.479 4.202 50 30 EIEAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000014855717 564025017 /nfs/dbraw/zinc/02/50/17/564025017.db2.gz ZNLFBRMABXXWFC-HXUWFJFHSA-N 1 1 348.446 4.000 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C[C@@H]12 ZINC000004026252 210102777 /nfs/dbraw/zinc/10/27/77/210102777.db2.gz MLRUBSJPPLKCGA-NFSXTHTRSA-N 1 1 345.527 4.423 50 30 biogenic EIEAMO C=CC[NH2+][C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003376686 210022418 /nfs/dbraw/zinc/02/24/18/210022418.db2.gz AZGKLVAMKGHVMK-MRXNPFEDSA-N 1 1 335.234 4.449 50 30 EIEAMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036390062 213094882 /nfs/dbraw/zinc/09/48/82/213094882.db2.gz YYGLKCAMHDVPCA-YPMHNXCESA-N 1 1 348.796 4.459 50 30 EIEAMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036390062 213094883 /nfs/dbraw/zinc/09/48/83/213094883.db2.gz YYGLKCAMHDVPCA-YPMHNXCESA-N 1 1 348.796 4.459 50 30 EIEAMO ClC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000019771462 212063725 /nfs/dbraw/zinc/06/37/25/212063725.db2.gz QKKCESWVVGBVCJ-IJDGKNKPSA-N 1 1 339.870 4.070 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000036104694 518718845 /nfs/dbraw/zinc/71/88/45/518718845.db2.gz NYDKUICPIBDBAV-OAQYLSRUSA-N 1 1 327.443 4.463 50 30 EIEAMO C=CCOc1ccccc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055292393 519069435 /nfs/dbraw/zinc/06/94/35/519069435.db2.gz NAKMDKQEDDMPGW-UHFFFAOYSA-N 1 1 342.870 4.227 50 30 EIEAMO Cc1ccccc1C(=[NH2+])NOC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000005041730 525038019 /nfs/dbraw/zinc/03/80/19/525038019.db2.gz VMLGAGLUAAQPLX-UHFFFAOYSA-N 1 1 344.414 4.068 50 30 EIEAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cc1 ZINC000055225701 525972786 /nfs/dbraw/zinc/97/27/86/525972786.db2.gz ARYIHUKPMACABP-FQEVSTJZSA-N 1 1 349.499 4.355 50 30 EIEAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000055225701 525972799 /nfs/dbraw/zinc/97/27/99/525972799.db2.gz ARYIHUKPMACABP-FQEVSTJZSA-N 1 1 349.499 4.355 50 30 EIEAMO CC1(C)Cc2ccccc2C(Nc2ccc(Br)cc2)=[NH+]1 ZINC000000096444 563977921 /nfs/dbraw/zinc/97/79/21/563977921.db2.gz MMHCDQDCIKRIBH-UHFFFAOYSA-N 1 1 329.241 4.452 50 30 EIEAMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000048286745 564030492 /nfs/dbraw/zinc/03/04/92/564030492.db2.gz PBPAUXMBWOBGHN-OAQYLSRUSA-N 1 1 347.462 4.079 50 30 EIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095333 564095932 /nfs/dbraw/zinc/09/59/32/564095932.db2.gz NDIBUZGWGFCPSJ-NRFANRHFSA-N 1 1 339.479 4.333 50 30 EIEAMO C=C[C@H](CC(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000095442936 564140500 /nfs/dbraw/zinc/14/05/00/564140500.db2.gz DBLBAWONSHQZDA-GOSISDBHSA-N 1 1 349.478 4.153 50 30 EIEAMO C[C@@H]1CCC[N@H+]1CC[C@@H]1Cc2cc(-c3ccc(C#N)cc3)ccc2O1 ZINC000032831365 1045091372 /nfs/dbraw/zinc/09/13/72/1045091372.db2.gz MLKLMMHXAFOMLR-IIBYNOLFSA-N 1 1 332.447 4.403 50 30 EIEAMO CC(C)=CCC[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231624 214292810 /nfs/dbraw/zinc/29/28/10/214292810.db2.gz AFMPMXZCZYIPAS-RTWAWAEBSA-N 1 1 326.484 4.109 50 30 EIEAMO CC(C)=CCC[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231624 214292812 /nfs/dbraw/zinc/29/28/12/214292812.db2.gz AFMPMXZCZYIPAS-RTWAWAEBSA-N 1 1 326.484 4.109 50 30 EIEAMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000036396151 213096981 /nfs/dbraw/zinc/09/69/81/213096981.db2.gz AAJDVEFRWUBMQJ-NRFANRHFSA-N 1 1 347.462 4.079 50 30 EIEAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439954 211216945 /nfs/dbraw/zinc/21/69/45/211216945.db2.gz LBJGMAAVPFZXHT-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439954 211216946 /nfs/dbraw/zinc/21/69/46/211216946.db2.gz LBJGMAAVPFZXHT-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO C=C(C)[C@H]1CC=C(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000004980628 210348528 /nfs/dbraw/zinc/34/85/28/210348528.db2.gz RTQLAEOHRBJJQB-FQEVSTJZSA-N 1 1 338.495 4.314 50 30 EIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104217 518718889 /nfs/dbraw/zinc/71/88/89/518718889.db2.gz AKGYGGACYBPOCX-LJQANCHMSA-N 1 1 349.396 4.433 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104217 518718894 /nfs/dbraw/zinc/71/88/94/518718894.db2.gz AKGYGGACYBPOCX-LJQANCHMSA-N 1 1 349.396 4.433 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102182 518719530 /nfs/dbraw/zinc/71/95/30/518719530.db2.gz CDZTWZFZFVVJKZ-HXUWFJFHSA-N 1 1 325.452 4.025 50 30 EIEAMO [NH2+]=C(Cc1csc2ccc(Cl)cc12)NOC(=O)c1ccccc1 ZINC000008552967 563632332 /nfs/dbraw/zinc/63/23/32/563632332.db2.gz JJWMOCLGMLPGMK-UHFFFAOYSA-N 1 1 344.823 4.226 50 30 EIEAMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(C#N)cc1 ZINC000408513866 563992823 /nfs/dbraw/zinc/99/28/23/563992823.db2.gz FENDXRQAJPSVKU-LBPRGKRZSA-N 1 1 340.224 4.043 50 30 EIEAMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000048286743 564030474 /nfs/dbraw/zinc/03/04/74/564030474.db2.gz PBPAUXMBWOBGHN-NRFANRHFSA-N 1 1 347.462 4.079 50 30 EIEAMO N#Cc1ccc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000089878988 564114664 /nfs/dbraw/zinc/11/46/64/564114664.db2.gz ABZYNFLSKHXPSS-FQEVSTJZSA-N 1 1 333.822 4.486 50 30 EIEAMO C[N@H+](Cc1cccc(Br)c1)Cc1cc(C#N)ccc1F ZINC000030972188 564158286 /nfs/dbraw/zinc/15/82/86/564158286.db2.gz NBARURDUAYKHSP-UHFFFAOYSA-N 1 1 333.204 4.092 50 30 EIEAMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc(C#N)ccc1F ZINC000030972188 564158287 /nfs/dbraw/zinc/15/82/87/564158287.db2.gz NBARURDUAYKHSP-UHFFFAOYSA-N 1 1 333.204 4.092 50 30 EIEAMO C[NH+]1CCN(N=Cc2c3ccccc3c(Cl)c3ccccc23)CC1 ZINC000606347359 1043067773 /nfs/dbraw/zinc/06/77/73/1043067773.db2.gz FORFCNAFUWTYPN-UHFFFAOYSA-N 1 1 337.854 4.228 50 30 EIEAMO COc1cc(Oc2ncccc2C#N)cc(Cl)c1C[NH+]1CCCC1 ZINC000067712609 215191134 /nfs/dbraw/zinc/19/11/34/215191134.db2.gz UXSVYQGRZRFNFB-UHFFFAOYSA-N 1 1 343.814 4.003 50 30 EIEAMO CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-c2ccccc2C#N)o1 ZINC000072423237 216211264 /nfs/dbraw/zinc/21/12/64/216211264.db2.gz UXZRUSJTFIPGEX-NRFANRHFSA-N 1 1 346.434 4.289 50 30 EIEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000019772740 212064814 /nfs/dbraw/zinc/06/48/14/212064814.db2.gz SGZDOWFVTSVKGL-RHSMWYFYSA-N 1 1 341.430 4.320 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439896 211216273 /nfs/dbraw/zinc/21/62/73/211216273.db2.gz CHNXBSWYRIXNKI-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439896 211216281 /nfs/dbraw/zinc/21/62/81/211216281.db2.gz CHNXBSWYRIXNKI-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000004987599 210351500 /nfs/dbraw/zinc/35/15/00/210351500.db2.gz LBURCMZXGXUKNQ-QGZVFWFLSA-N 1 1 327.468 4.365 50 30 EIEAMO CC(C)(C)c1ccc(C(=[NH2+])NOC(=O)c2sccc2Cl)cc1 ZINC000004324007 519011426 /nfs/dbraw/zinc/01/14/26/519011426.db2.gz SWWDSSZFIZHZEI-UHFFFAOYSA-N 1 1 336.844 4.176 50 30 EIEAMO CCCCCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000029748585 519963510 /nfs/dbraw/zinc/96/35/10/519963510.db2.gz CHHJWGCLCMHHJB-UYAOXDASSA-N 1 1 328.500 4.490 50 30 EIEAMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCCCC#N)OCCO3 ZINC000060332667 563930730 /nfs/dbraw/zinc/93/07/30/563930730.db2.gz GNWDBEPNQDGHPF-INIZCTEOSA-N 1 1 340.467 4.340 50 30 EIEAMO CC#CCCCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000097162428 563968459 /nfs/dbraw/zinc/96/84/59/563968459.db2.gz WJEXMQGJVLJMDU-IAGOWNOFSA-N 1 1 325.374 4.007 50 30 EIEAMO C=CCOc1ccccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000058165455 564035566 /nfs/dbraw/zinc/03/55/66/564035566.db2.gz QSEQKHZPTNAGFG-UHFFFAOYSA-N 1 1 336.479 4.006 50 30 EIEAMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000585140071 564052667 /nfs/dbraw/zinc/05/26/67/564052667.db2.gz ZVUOHBCXCGXKSD-JTQLQIEISA-N 1 1 339.748 4.476 50 30 EIEAMO C=CC[N@H+]1CCC[C@H]2[C@H]3CC[C@H]([C@@H]4c5[nH]c6ccccc6c5CCN34)[C@H]21 ZINC000002159771 564119587 /nfs/dbraw/zinc/11/95/87/564119587.db2.gz CTTKCTJSIDQCGZ-SWCJPYALSA-N 1 1 347.506 4.126 50 30 biogenic EIEAMO CCC(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)(CC)OCCC#N ZINC000055246709 214294766 /nfs/dbraw/zinc/29/47/66/214294766.db2.gz RIVTVWBERKXSNN-HXUWFJFHSA-N 1 1 339.483 4.101 50 30 EIEAMO CCC(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)(CC)OCCC#N ZINC000055246709 214294769 /nfs/dbraw/zinc/29/47/69/214294769.db2.gz RIVTVWBERKXSNN-HXUWFJFHSA-N 1 1 339.483 4.101 50 30 EIEAMO C=CC[N@H+](Cc1ccc(OCC)c(CO)c1)Cc1ccccc1C ZINC000055393499 214318747 /nfs/dbraw/zinc/31/87/47/214318747.db2.gz ZPLUFSOZWBYWCO-UHFFFAOYSA-N 1 1 325.452 4.074 50 30 EIEAMO C=CC[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1ccccc1C ZINC000055402189 214320552 /nfs/dbraw/zinc/32/05/52/214320552.db2.gz HBICABUKLWDNMD-UHFFFAOYSA-N 1 1 339.504 4.367 50 30 EIEAMO C[C@@H]1SCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000282086365 257938553 /nfs/dbraw/zinc/93/85/53/257938553.db2.gz UWKOSPQMEPJQNK-PKOBYXMFSA-N 1 1 344.524 4.266 50 30 EIEAMO Cc1ccsc1C[N@@H+](Cc1ccc(C#CCO)s1)C1CCCC1 ZINC000055344280 525840982 /nfs/dbraw/zinc/84/09/82/525840982.db2.gz BIROEZPJVBNTIY-UHFFFAOYSA-N 1 1 345.533 4.407 50 30 EIEAMO N#CCCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000022914380 526459772 /nfs/dbraw/zinc/45/97/72/526459772.db2.gz KDZLEIYEQBVHSS-UHFFFAOYSA-N 1 1 345.899 4.100 50 30 EIEAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2cccc(C#N)c2)C1 ZINC000047778182 564029716 /nfs/dbraw/zinc/02/97/16/564029716.db2.gz BPDPIAMBMDFSDW-RTBURBONSA-N 1 1 347.506 4.326 50 30 EIEAMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016338580 564082075 /nfs/dbraw/zinc/08/20/75/564082075.db2.gz WUFGSBIPYGSCHE-AWEZNQCLSA-N 1 1 345.512 4.092 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3Cl)CC2)c(C)c1 ZINC000002210387 1049464203 /nfs/dbraw/zinc/46/42/03/1049464203.db2.gz QJBYSMWLKXSKEM-UHFFFAOYSA-N 1 1 341.886 4.109 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(C(C)C)cc3)CC2)cc1 ZINC000020189205 212109946 /nfs/dbraw/zinc/10/99/46/212109946.db2.gz JKZXKMLIFLCOIJ-XQNSMLJCSA-N 1 1 335.495 4.270 50 30 EIEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000007785836 258053299 /nfs/dbraw/zinc/05/32/99/258053299.db2.gz FNSALFZCCRNVFO-INIZCTEOSA-N 1 1 343.430 4.170 50 30 EIEAMO N#Cc1cccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000170651987 564120566 /nfs/dbraw/zinc/12/05/66/564120566.db2.gz QKVSBSBKCMHKIS-STQMWFEESA-N 1 1 336.279 4.121 50 30 EIEAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094253 564056227 /nfs/dbraw/zinc/05/62/27/564056227.db2.gz TYIBTRVUYRMDPT-GFCCVEGCSA-N 1 1 328.378 4.425 50 30 EIEAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000082094253 564056228 /nfs/dbraw/zinc/05/62/28/564056228.db2.gz TYIBTRVUYRMDPT-GFCCVEGCSA-N 1 1 328.378 4.425 50 30 EIEAMO C=CC[N@H+](C)Cc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1 ZINC000065455204 564066791 /nfs/dbraw/zinc/06/67/91/564066791.db2.gz ZGFUYJMDLIXNBD-UHFFFAOYSA-N 1 1 331.419 4.105 50 30 EIEAMO N#Cc1ccccc1N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000084497796 564068293 /nfs/dbraw/zinc/06/82/93/564068293.db2.gz CSWSVZLQRUWMOO-UHFFFAOYSA-N 1 1 348.837 4.086 50 30 EIEAMO Cc1cnc(C2CCC2)n1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575547514 1030436385 /nfs/dbraw/zinc/43/63/85/1030436385.db2.gz GTQICZQEFSXXEP-FQEVSTJZSA-N 1 1 348.494 4.243 50 30 EIEAMO Cc1cnc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1C(C)C ZINC000169791971 1036341854 /nfs/dbraw/zinc/34/18/54/1036341854.db2.gz VVNKNXSHCOIXHU-HXUWFJFHSA-N 1 1 336.483 4.099 50 30 EIEAMO Cc1ccccc1C[N@H+](Cc1cc(C#CCO)cs1)CC(C)C ZINC000055053910 214268429 /nfs/dbraw/zinc/26/84/29/214268429.db2.gz ISFSBDLTNKRQDF-UHFFFAOYSA-N 1 1 327.493 4.059 50 30 EIEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000003904015 210089037 /nfs/dbraw/zinc/08/90/37/210089037.db2.gz BEVHVSGZHFIYLQ-IJCFDHGGSA-N 1 1 347.462 4.152 50 30 EIEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000003904015 210089039 /nfs/dbraw/zinc/08/90/39/210089039.db2.gz BEVHVSGZHFIYLQ-IJCFDHGGSA-N 1 1 347.462 4.152 50 30 EIEAMO Cc1cccc(C[N@H+](Cc2cccc(C#N)c2)Cc2ccccn2)c1 ZINC000072308336 216145593 /nfs/dbraw/zinc/14/55/93/216145593.db2.gz UEUHUSWYJOCPBR-UHFFFAOYSA-N 1 1 327.431 4.464 50 30 EIEAMO Cc1cccc(C[N@@H+](Cc2cccc(C#N)c2)Cc2ccccn2)c1 ZINC000072308336 216145594 /nfs/dbraw/zinc/14/55/94/216145594.db2.gz UEUHUSWYJOCPBR-UHFFFAOYSA-N 1 1 327.431 4.464 50 30 EIEAMO CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-c2ccccc2C#N)o1 ZINC000072423238 216211197 /nfs/dbraw/zinc/21/11/97/216211197.db2.gz UXZRUSJTFIPGEX-OAQYLSRUSA-N 1 1 346.434 4.289 50 30 EIEAMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000096971571 258012047 /nfs/dbraw/zinc/01/20/47/258012047.db2.gz HXYHMEFSDZLSEF-LBPRGKRZSA-N 1 1 329.271 4.069 50 30 EIEAMO C=CCOc1ccccc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019634524 258016330 /nfs/dbraw/zinc/01/63/30/258016330.db2.gz BYNZQDIVKDEEJZ-DHZHZOJOSA-N 1 1 348.490 4.082 50 30 EIEAMO C=CCOc1ccccc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634524 258016332 /nfs/dbraw/zinc/01/63/32/258016332.db2.gz BYNZQDIVKDEEJZ-DHZHZOJOSA-N 1 1 348.490 4.082 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000036102787 518719442 /nfs/dbraw/zinc/71/94/42/518719442.db2.gz MBFGOEZBWLQPLQ-HXUWFJFHSA-N 1 1 325.452 4.025 50 30 EIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101984 518726634 /nfs/dbraw/zinc/72/66/34/518726634.db2.gz DYGGEQUFACWLNT-NRFANRHFSA-N 1 1 327.443 4.463 50 30 EIEAMO CCCCCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000029748587 519962800 /nfs/dbraw/zinc/96/28/00/519962800.db2.gz CHHJWGCLCMHHJB-QUCCMNQESA-N 1 1 328.500 4.490 50 30 EIEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000033322832 563915839 /nfs/dbraw/zinc/91/58/39/563915839.db2.gz ZCSXUGSPSXIMLQ-LYBHJNIJSA-N 1 1 343.474 4.382 50 30 EIEAMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCCCC#N)OCCO3 ZINC000060332666 563930823 /nfs/dbraw/zinc/93/08/23/563930823.db2.gz GNWDBEPNQDGHPF-MRXNPFEDSA-N 1 1 340.467 4.340 50 30 EIEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000000202071 563988397 /nfs/dbraw/zinc/98/83/97/563988397.db2.gz BEVHVSGZHFIYLQ-BIBRTQAFSA-N 1 1 347.462 4.152 50 30 EIEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000000202071 563988398 /nfs/dbraw/zinc/98/83/98/563988398.db2.gz BEVHVSGZHFIYLQ-BIBRTQAFSA-N 1 1 347.462 4.152 50 30 EIEAMO N#CCC[C@@H](C#N)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134858900 563996751 /nfs/dbraw/zinc/99/67/51/563996751.db2.gz PZFLKUPTCPQRMA-AWEZNQCLSA-N 1 1 333.888 4.340 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC[C@@H]4C)[C@H]3C[C@@H]12 ZINC000252693509 564124947 /nfs/dbraw/zinc/12/49/47/564124947.db2.gz DLJKJOVMBJSDEP-WKOMVXTHSA-N 1 1 331.500 4.175 50 30 EIEAMO C=CC[N@H+](Cc1cccn1-c1cccnc1)Cc1ccccc1OC ZINC000055243172 214294128 /nfs/dbraw/zinc/29/41/28/214294128.db2.gz RREVMJUWVBDKOA-UHFFFAOYSA-N 1 1 333.435 4.069 50 30 EIEAMO C=CC[N@@H+](Cc1cccn1-c1cccnc1)Cc1ccccc1OC ZINC000055243172 214294130 /nfs/dbraw/zinc/29/41/30/214294130.db2.gz RREVMJUWVBDKOA-UHFFFAOYSA-N 1 1 333.435 4.069 50 30 EIEAMO C[N@H+](CC(=O)NCC(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000023752522 212394524 /nfs/dbraw/zinc/39/45/24/212394524.db2.gz VLLRFMSFJSAQCP-UHFFFAOYSA-N 1 1 336.357 4.227 50 30 EIEAMO C[N@@H+](CC(=O)NCC(F)(F)F)C(c1ccccc1)c1ccccc1 ZINC000023752522 212394527 /nfs/dbraw/zinc/39/45/27/212394527.db2.gz VLLRFMSFJSAQCP-UHFFFAOYSA-N 1 1 336.357 4.227 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3Cl)CC2)c(C)c1 ZINC000020171033 212108582 /nfs/dbraw/zinc/10/85/82/212108582.db2.gz QJBYSMWLKXSKEM-HYARGMPZSA-N 1 1 341.886 4.109 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439949 211217161 /nfs/dbraw/zinc/21/71/61/211217161.db2.gz LBJGMAAVPFZXHT-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000011439949 211217163 /nfs/dbraw/zinc/21/71/63/211217163.db2.gz LBJGMAAVPFZXHT-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccnc2ccccc21 ZINC000067562473 563903529 /nfs/dbraw/zinc/90/35/29/563903529.db2.gz IACTWDIGALJAKK-LJQANCHMSA-N 1 1 347.462 4.475 50 30 EIEAMO C[N@H+]1CCC[C@H](CNC(=O)c2ncoc2C2CC2)[C@@H]1c1cccs1 ZINC000328822558 563971526 /nfs/dbraw/zinc/97/15/26/563971526.db2.gz GGLFSJBXCYKAJX-CZUORRHYSA-N 1 1 345.468 4.001 50 30 EIEAMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1c1ccccc1 ZINC000242183872 564052105 /nfs/dbraw/zinc/05/21/05/564052105.db2.gz XCQNUMRNGGFSSR-IBGZPJMESA-N 1 1 326.484 4.213 50 30 EIEAMO CC(C)(C)c1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000244795753 564088605 /nfs/dbraw/zinc/08/86/05/564088605.db2.gz RMYIUGFSRSMNJR-UHFFFAOYSA-N 1 1 335.495 4.136 50 30 EIEAMO C[C@@H]1SCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000282086352 564146022 /nfs/dbraw/zinc/14/60/22/564146022.db2.gz UWKOSPQMEPJQNK-HKUYNNGSSA-N 1 1 344.524 4.266 50 30 EIEAMO C[C@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000245380960 564169164 /nfs/dbraw/zinc/16/91/64/564169164.db2.gz XKAPFDIMCVLRIR-QEUVDIPISA-N 1 1 327.516 4.157 50 30 EIEAMO C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000245380960 564169165 /nfs/dbraw/zinc/16/91/65/564169165.db2.gz XKAPFDIMCVLRIR-QEUVDIPISA-N 1 1 327.516 4.157 50 30 EIEAMO CCC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000052825570 214148789 /nfs/dbraw/zinc/14/87/89/214148789.db2.gz BEQRBGQFSASFSK-UHFFFAOYSA-N 1 1 341.842 4.062 50 30 EIEAMO CCC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000052825570 214148791 /nfs/dbraw/zinc/14/87/91/214148791.db2.gz BEQRBGQFSASFSK-UHFFFAOYSA-N 1 1 341.842 4.062 50 30 EIEAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055133178 214277575 /nfs/dbraw/zinc/27/75/75/214277575.db2.gz RYSJBDXZIHNSAC-IBGZPJMESA-N 1 1 337.850 4.286 50 30 EIEAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055133178 214277577 /nfs/dbraw/zinc/27/75/77/214277577.db2.gz RYSJBDXZIHNSAC-IBGZPJMESA-N 1 1 337.850 4.286 50 30 EIEAMO CC[C@H](C)[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)Cc1cccnc1 ZINC000055370658 214313660 /nfs/dbraw/zinc/31/36/60/214313660.db2.gz RPWLVFFFMOUDKP-SFHVURJKSA-N 1 1 336.479 4.005 50 30 EIEAMO C[N@@H+](CC#CC1(O)c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000055498003 214326721 /nfs/dbraw/zinc/32/67/21/214326721.db2.gz VPSVAJBVJWMLRH-UHFFFAOYSA-N 1 1 339.438 4.038 50 30 EIEAMO Cc1csc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000047700467 213865296 /nfs/dbraw/zinc/86/52/96/213865296.db2.gz VKTNPMLCYQCYRB-UHFFFAOYSA-N 1 1 349.459 4.192 50 30 EIEAMO C=CCC1(CC=C)CCC[N@H+]1Cc1nc(COc2ccccc2)no1 ZINC000011934937 211271389 /nfs/dbraw/zinc/27/13/89/211271389.db2.gz GHTANXIMJKOTOY-UHFFFAOYSA-N 1 1 339.439 4.135 50 30 EIEAMO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000012655329 563667198 /nfs/dbraw/zinc/66/71/98/563667198.db2.gz ZOJVBQZTRQVMNP-UHFFFAOYSA-N 1 1 330.815 4.115 50 30 EIEAMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)nc1Cl ZINC000585140072 564052684 /nfs/dbraw/zinc/05/26/84/564052684.db2.gz ZVUOHBCXCGXKSD-SNVBAGLBSA-N 1 1 339.748 4.476 50 30 EIEAMO CCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000001753154 564087237 /nfs/dbraw/zinc/08/72/37/564087237.db2.gz CHHJWGCLCMHHJB-ICSRJNTNSA-N 1 1 328.500 4.490 50 30 biogenic EIEAMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095357 564095937 /nfs/dbraw/zinc/09/59/37/564095937.db2.gz WCPKEWCQXWGQJI-IBGZPJMESA-N 1 1 343.442 4.164 50 30 EIEAMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000276359308 564137159 /nfs/dbraw/zinc/13/71/59/564137159.db2.gz AEAQFEJOWLZYSA-VQIMIIECSA-N 1 1 341.499 4.096 50 30 EIEAMO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2C)cc1 ZINC000102261836 219193242 /nfs/dbraw/zinc/19/32/42/219193242.db2.gz HFBWJUSJYJTGFB-FNLKRUPLSA-N 1 1 349.478 4.124 50 30 EIEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3)o2)C1 ZINC000091973913 218097363 /nfs/dbraw/zinc/09/73/63/218097363.db2.gz PIDNWHBJLWMLPJ-OAQYLSRUSA-N 1 1 341.451 4.106 50 30 EIEAMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000004980629 210348224 /nfs/dbraw/zinc/34/82/24/210348224.db2.gz RTQLAEOHRBJJQB-HXUWFJFHSA-N 1 1 338.495 4.314 50 30 EIEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004898081 210316712 /nfs/dbraw/zinc/31/67/12/210316712.db2.gz ONMJCLPUHLOIPE-UHFFFAOYSA-N 1 1 343.597 4.124 50 30 aggregator EIEAMO O=C(ON=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000004363443 526433429 /nfs/dbraw/zinc/43/34/29/526433429.db2.gz WCOADNSFDMGVHH-OYRHEFFESA-N 1 1 348.446 4.417 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871594 563769079 /nfs/dbraw/zinc/76/90/79/563769079.db2.gz WGBVMFAPNKTLRJ-FQEVSTJZSA-N 1 1 331.419 4.157 50 30 EIEAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871594 563769081 /nfs/dbraw/zinc/76/90/81/563769081.db2.gz WGBVMFAPNKTLRJ-FQEVSTJZSA-N 1 1 331.419 4.157 50 30 EIEAMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894782 563919937 /nfs/dbraw/zinc/91/99/37/563919937.db2.gz DQGCEQNDUWHVMR-HIFRSBDPSA-N 1 1 328.378 4.114 50 30 EIEAMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000034894782 563919939 /nfs/dbraw/zinc/91/99/39/563919939.db2.gz DQGCEQNDUWHVMR-HIFRSBDPSA-N 1 1 328.378 4.114 50 30 EIEAMO CC#CCCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000097162429 563968462 /nfs/dbraw/zinc/96/84/62/563968462.db2.gz WJEXMQGJVLJMDU-DLBZAZTESA-N 1 1 325.374 4.007 50 30 EIEAMO CCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C#N)cc1 ZINC000014135466 563983275 /nfs/dbraw/zinc/98/32/75/563983275.db2.gz RZZWHSNVRAQLQS-UHFFFAOYSA-N 1 1 338.436 4.082 50 30 EIEAMO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C#N)cc1 ZINC000014135466 563983276 /nfs/dbraw/zinc/98/32/76/563983276.db2.gz RZZWHSNVRAQLQS-UHFFFAOYSA-N 1 1 338.436 4.082 50 30 EIEAMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000058129711 564065247 /nfs/dbraw/zinc/06/52/47/564065247.db2.gz KYCWPBRNBQOHGS-UHFFFAOYSA-N 1 1 338.411 4.098 50 30 EIEAMO C=C(C)C[N@H+](CC)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000058129711 564065248 /nfs/dbraw/zinc/06/52/48/564065248.db2.gz KYCWPBRNBQOHGS-UHFFFAOYSA-N 1 1 338.411 4.098 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(N=C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000253483603 564132694 /nfs/dbraw/zinc/13/26/94/564132694.db2.gz QGVJEJVKSHEMCS-DPHBVSPUSA-N 1 1 333.479 4.120 50 30 EIEAMO Cc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)o1 ZINC000027794006 564134574 /nfs/dbraw/zinc/13/45/74/564134574.db2.gz GNUXUFYBELUMTN-KRWDZBQOSA-N 1 1 344.846 4.147 50 30 EIEAMO Cc1cnc(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816444 1060023555 /nfs/dbraw/zinc/02/35/55/1060023555.db2.gz CPAOEZTUVBBJLU-HXUWFJFHSA-N 1 1 336.483 4.099 50 30 EIEAMO Clc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000019419376 212026753 /nfs/dbraw/zinc/02/67/53/212026753.db2.gz GWDVJORTNAILEB-FYJGNVAPSA-N 1 1 348.277 4.145 50 30 EIEAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000011436418 211217047 /nfs/dbraw/zinc/21/70/47/211217047.db2.gz CIZQFEFSZJSMQS-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000011436418 211217049 /nfs/dbraw/zinc/21/70/49/211217049.db2.gz CIZQFEFSZJSMQS-IBGZPJMESA-N 1 1 340.398 4.052 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C ZINC000036104697 518725693 /nfs/dbraw/zinc/72/56/93/518725693.db2.gz NYDKUICPIBDBAV-NRFANRHFSA-N 1 1 327.443 4.463 50 30 EIEAMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000036396152 526010529 /nfs/dbraw/zinc/01/05/29/526010529.db2.gz AAJDVEFRWUBMQJ-OAQYLSRUSA-N 1 1 347.462 4.079 50 30 EIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013713355 563715222 /nfs/dbraw/zinc/71/52/22/563715222.db2.gz BEVHVSGZHFIYLQ-JHGXHUTESA-N 1 1 347.462 4.152 50 30 EIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013713355 563715224 /nfs/dbraw/zinc/71/52/24/563715224.db2.gz BEVHVSGZHFIYLQ-JHGXHUTESA-N 1 1 347.462 4.152 50 30 EIEAMO C[C@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000013509653 563926439 /nfs/dbraw/zinc/92/64/39/563926439.db2.gz XKAPFDIMCVLRIR-CTAFRAEOSA-N 1 1 327.516 4.157 50 30 EIEAMO C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000013509653 563926441 /nfs/dbraw/zinc/92/64/41/563926441.db2.gz XKAPFDIMCVLRIR-CTAFRAEOSA-N 1 1 327.516 4.157 50 30 EIEAMO Clc1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000239173978 564075054 /nfs/dbraw/zinc/07/50/54/564075054.db2.gz PAQIRZCACKYGCA-UHFFFAOYSA-N 1 1 348.277 4.145 50 30 EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111373 564118071 /nfs/dbraw/zinc/11/80/71/564118071.db2.gz MGHSLDDBTFCNLI-CTNGQTDRSA-N 1 1 326.484 4.350 50 30 EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)O1 ZINC000002111373 564118072 /nfs/dbraw/zinc/11/80/72/564118072.db2.gz MGHSLDDBTFCNLI-CTNGQTDRSA-N 1 1 326.484 4.350 50 30 EIEAMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000276359306 564137183 /nfs/dbraw/zinc/13/71/83/564137183.db2.gz AEAQFEJOWLZYSA-QFBILLFUSA-N 1 1 341.499 4.096 50 30 EIEAMO CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000027992943 564149920 /nfs/dbraw/zinc/14/99/20/564149920.db2.gz AFFGEMUZKLGNPV-HNNXBMFYSA-N 1 1 342.443 4.076 50 30 EIEAMO C=CC[N@@H+](Cc1cccc(Cn2cccn2)c1)Cc1cccc(OC)c1 ZINC000055342742 214310404 /nfs/dbraw/zinc/31/04/04/214310404.db2.gz KRZVPTFCAHXZGD-UHFFFAOYSA-N 1 1 347.462 4.128 50 30 EIEAMO Clc1cccc(Cl)c1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771325 212063712 /nfs/dbraw/zinc/06/37/12/212063712.db2.gz HWOCHRTUARLXGS-FYJGNVAPSA-N 1 1 348.277 4.145 50 30 EIEAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000011436508 211215996 /nfs/dbraw/zinc/21/59/96/211215996.db2.gz ZCKYGTOIKMQORW-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000011436508 211216000 /nfs/dbraw/zinc/21/60/00/211216000.db2.gz ZCKYGTOIKMQORW-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328588647 258045132 /nfs/dbraw/zinc/04/51/32/258045132.db2.gz TVAIOROLMCHDLR-MRXNPFEDSA-N 1 1 345.450 4.248 50 30 EIEAMO C#C[C@]1(O)[C@@H]2CCC[C@@]23[C@@H]1[C@H](c1ccccc1)[N@H+](C)[C@H]3c1ccccc1 ZINC000245240501 258005447 /nfs/dbraw/zinc/00/54/47/258005447.db2.gz XRCHLKKSTVBVGS-CKOZHMEPSA-N 1 1 343.470 4.195 50 30 EIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101982 518718147 /nfs/dbraw/zinc/71/81/47/518718147.db2.gz DYGGEQUFACWLNT-OAQYLSRUSA-N 1 1 327.443 4.463 50 30 EIEAMO C=CC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2cccc(C)c2)C1 ZINC000007992839 564072236 /nfs/dbraw/zinc/07/22/36/564072236.db2.gz HLNOXCRCYMOMLA-KRWDZBQOSA-N 1 1 343.854 4.236 50 30 in-vitro EIEAMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@]1(O)C#Cc1ccccc1 ZINC000536553484 564091411 /nfs/dbraw/zinc/09/14/11/564091411.db2.gz HMQTXYVRFVWHHV-BJKOFHAPSA-N 1 1 345.486 4.400 50 30 EIEAMO CC#CCCCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253370798 564130378 /nfs/dbraw/zinc/13/03/78/564130378.db2.gz WJEXMQGJVLJMDU-SJORKVTESA-N 1 1 325.374 4.007 50 30 EIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717361 564166742 /nfs/dbraw/zinc/16/67/42/564166742.db2.gz AHOWEGXJURQHPQ-UHFFFAOYSA-N 1 1 339.483 4.269 50 30 EIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(OCC(C)C)cc2c1=O ZINC000008717495 564166797 /nfs/dbraw/zinc/16/67/97/564166797.db2.gz GUDNCQACFCTXPB-UHFFFAOYSA-N 1 1 340.467 4.458 50 30 EIEAMO CC[C@@H](C)[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)Cc1cccnc1 ZINC000055370655 214313791 /nfs/dbraw/zinc/31/37/91/214313791.db2.gz RPWLVFFFMOUDKP-GOSISDBHSA-N 1 1 336.479 4.005 50 30 EIEAMO C=CC[NH2+][C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003376685 210022383 /nfs/dbraw/zinc/02/23/83/210022383.db2.gz AZGKLVAMKGHVMK-INIZCTEOSA-N 1 1 335.234 4.449 50 30 EIEAMO COc1cc2c(cc1OC)C(Nc1cc(C)ccc1C)=[NH+]C(C)(C)C2 ZINC000000371925 209556504 /nfs/dbraw/zinc/55/65/04/209556504.db2.gz YLPYSCIBXXCOIY-UHFFFAOYSA-N 1 1 338.451 4.323 50 30 EIEAMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282105141 257937833 /nfs/dbraw/zinc/93/78/33/257937833.db2.gz WLJWOMPKZJWTHG-FUHWJXTLSA-N 1 1 330.472 4.462 50 30 EIEAMO CC(C)[N@H+](C)C[C@H](C)NC(=O)C=Cc1cc(Br)cs1 ZINC000328596381 258043072 /nfs/dbraw/zinc/04/30/72/258043072.db2.gz LVVZKSSKVIBNNQ-QRGHLMKCSA-N 1 1 345.306 4.209 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104108 518717450 /nfs/dbraw/zinc/71/74/50/518717450.db2.gz PPPSCJUQKRYFQB-LJQANCHMSA-N 1 1 331.406 4.294 50 30 EIEAMO C=CCn1ncc(C[N@@H+](CC)Cc2cc(Cl)ccc2OC)c1C ZINC000055358932 519291120 /nfs/dbraw/zinc/29/11/20/519291120.db2.gz IOVASMCQHWMYDV-UHFFFAOYSA-N 1 1 333.863 4.062 50 30 EIEAMO C=CCn1ncc(C[N@H+](CC)Cc2cc(Cl)ccc2OC)c1C ZINC000055358932 519291128 /nfs/dbraw/zinc/29/11/28/519291128.db2.gz IOVASMCQHWMYDV-UHFFFAOYSA-N 1 1 333.863 4.062 50 30 EIEAMO NC(=[NH+]OCc1csc(Cc2ccccc2)n1)C1CCCCC1 ZINC000063458742 526804317 /nfs/dbraw/zinc/80/43/17/526804317.db2.gz KDEHVELXHQTFIC-UHFFFAOYSA-N 1 1 329.469 4.103 50 30 EIEAMO N#Cc1cccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000170651988 564120564 /nfs/dbraw/zinc/12/05/64/564120564.db2.gz QKVSBSBKCMHKIS-CHWSQXEVSA-N 1 1 336.279 4.121 50 30 EIEAMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1c1ccccc1 ZINC000242183873 564052108 /nfs/dbraw/zinc/05/21/08/564052108.db2.gz XCQNUMRNGGFSSR-LJQANCHMSA-N 1 1 326.484 4.213 50 30 EIEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098287 564095993 /nfs/dbraw/zinc/09/59/93/564095993.db2.gz GNIMTJWLVOVALP-HXUWFJFHSA-N 1 1 325.452 4.025 50 30 EIEAMO C=CCOc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1Cl ZINC000170650911 564120368 /nfs/dbraw/zinc/12/03/68/564120368.db2.gz BKTRHHPBGZMVEU-UHFFFAOYSA-N 1 1 327.815 4.071 50 30 EIEAMO CC[NH+](CC)Cc1c2c(ccc1O)c(C#N)c(C)n2-c1ccccc1 ZINC000000292365 564133086 /nfs/dbraw/zinc/13/30/86/564133086.db2.gz CFACSVXDTRUGNU-UHFFFAOYSA-N 1 1 333.435 4.358 50 30 EIEAMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000276359300 564137168 /nfs/dbraw/zinc/13/71/68/564137168.db2.gz AEAQFEJOWLZYSA-APWZRJJASA-N 1 1 341.499 4.096 50 30 EIEAMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C)C2)nc1-c1ccccc1 ZINC000051452614 214095304 /nfs/dbraw/zinc/09/53/04/214095304.db2.gz SUUQNGSDHBCADQ-ZDUSSCGKSA-N 1 1 329.469 4.438 50 30 EIEAMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)nc1-c1ccccc1 ZINC000051452614 214095306 /nfs/dbraw/zinc/09/53/06/214095306.db2.gz SUUQNGSDHBCADQ-ZDUSSCGKSA-N 1 1 329.469 4.438 50 30 EIEAMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)nc1-c1ccccc1 ZINC000051452616 214095546 /nfs/dbraw/zinc/09/55/46/214095546.db2.gz SUUQNGSDHBCADQ-CYBMUJFWSA-N 1 1 329.469 4.438 50 30 EIEAMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)nc1-c1ccccc1 ZINC000051452616 214095549 /nfs/dbraw/zinc/09/55/49/214095549.db2.gz SUUQNGSDHBCADQ-CYBMUJFWSA-N 1 1 329.469 4.438 50 30 EIEAMO C#C[C@]1(O)[C@@H]2CCC[C@@]23[C@@H]1[C@@H](c1ccccc1)[N@H+](C)[C@H]3c1ccccc1 ZINC000245240503 258005441 /nfs/dbraw/zinc/00/54/41/258005441.db2.gz XRCHLKKSTVBVGS-PPOWDTIZSA-N 1 1 343.470 4.195 50 30 EIEAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000017067580 563831694 /nfs/dbraw/zinc/83/16/94/563831694.db2.gz PVBRXBJSIFSUIZ-OKILXGFUSA-N 1 1 329.469 4.376 50 30 EIEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000017067580 563831697 /nfs/dbraw/zinc/83/16/97/563831697.db2.gz PVBRXBJSIFSUIZ-OKILXGFUSA-N 1 1 329.469 4.376 50 30 EIEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccnc2ccccc21 ZINC000067562475 563903477 /nfs/dbraw/zinc/90/34/77/563903477.db2.gz IACTWDIGALJAKK-IBGZPJMESA-N 1 1 347.462 4.475 50 30 EIEAMO CCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000097956492 563966533 /nfs/dbraw/zinc/96/65/33/563966533.db2.gz CHHJWGCLCMHHJB-AZUAARDMSA-N 1 1 328.500 4.490 50 30 EIEAMO C[N@H+]1CCC[C@H](CNC(=O)c2ncoc2C2CC2)[C@H]1c1cccs1 ZINC000328822550 563971514 /nfs/dbraw/zinc/97/15/14/563971514.db2.gz GGLFSJBXCYKAJX-CJNGLKHVSA-N 1 1 345.468 4.001 50 30 EIEAMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(C#N)cc1 ZINC000408513865 563992794 /nfs/dbraw/zinc/99/27/94/563992794.db2.gz FENDXRQAJPSVKU-GFCCVEGCSA-N 1 1 340.224 4.043 50 30 EIEAMO FC(F)(F)c1cccc(N2CCC([NH+]=CN3CCCCCC3)=N2)c1 ZINC000012728401 564063887 /nfs/dbraw/zinc/06/38/87/564063887.db2.gz UHKKLRYDLVCQJD-UHFFFAOYSA-N 1 1 338.377 4.133 50 30 EIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(OCCC)cc2c1=O ZINC000008717132 564166733 /nfs/dbraw/zinc/16/67/33/564166733.db2.gz STWPICLBCXTHQT-UHFFFAOYSA-N 1 1 326.440 4.212 50 30 EIEAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000050099987 214045996 /nfs/dbraw/zinc/04/59/96/214045996.db2.gz PVBRXBJSIFSUIZ-ZIAGYGMSSA-N 1 1 329.469 4.376 50 30 EIEAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439901 211217402 /nfs/dbraw/zinc/21/74/02/211217402.db2.gz CHNXBSWYRIXNKI-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000011439901 211217403 /nfs/dbraw/zinc/21/74/03/211217403.db2.gz CHNXBSWYRIXNKI-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1C#N ZINC000095452684 218396554 /nfs/dbraw/zinc/39/65/54/218396554.db2.gz BPPIQEKEIPXBJU-GOSISDBHSA-N 1 1 338.455 4.024 50 30 EIEAMO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000328588646 258045475 /nfs/dbraw/zinc/04/54/75/258045475.db2.gz TVAIOROLMCHDLR-INIZCTEOSA-N 1 1 345.450 4.248 50 30 EIEAMO C#CCCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000072286600 258015520 /nfs/dbraw/zinc/01/55/20/258015520.db2.gz HPDLRWZCAODISH-UHFFFAOYSA-N 1 1 326.465 4.104 50 30 EIEAMO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000004987223 518642712 /nfs/dbraw/zinc/64/27/12/518642712.db2.gz FPJSJQBMZYKOBA-LJQANCHMSA-N 1 1 329.484 4.481 50 30 EIEAMO CCC[N@H+](CC#Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055281527 521525005 /nfs/dbraw/zinc/52/50/05/521525005.db2.gz VMQIPLQTITYRJM-UHFFFAOYSA-N 1 1 332.369 4.364 50 30 EIEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055281527 521525015 /nfs/dbraw/zinc/52/50/15/521525015.db2.gz VMQIPLQTITYRJM-UHFFFAOYSA-N 1 1 332.369 4.364 50 30 EIEAMO CCCN(C)c1ccc(/C=[NH+]/NC(=S)Nc2cccc(C)c2)cc1 ZINC000000263930 563989851 /nfs/dbraw/zinc/98/98/51/563989851.db2.gz VLXOIFNIAZBIIF-XSFVSMFZSA-N 1 1 340.496 4.162 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000002213098 564128933 /nfs/dbraw/zinc/12/89/33/564128933.db2.gz SNXULOYGVLUAND-UHFFFAOYSA-N 1 1 341.886 4.109 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C[C@@H]12 ZINC000012656541 564135412 /nfs/dbraw/zinc/13/54/12/564135412.db2.gz MLRUBSJPPLKCGA-GPUAKUCWSA-N 1 1 345.527 4.423 50 30 biogenic EIEAMO Cc1cnc(C2CCC2)n1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575547515 1030437708 /nfs/dbraw/zinc/43/77/08/1030437708.db2.gz GTQICZQEFSXXEP-HXUWFJFHSA-N 1 1 348.494 4.243 50 30 EIEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1Cc1cc(C#CCO)cs1 ZINC000055198455 214286381 /nfs/dbraw/zinc/28/63/81/214286381.db2.gz DZYRKLGEFALYTB-OALUTQOASA-N 1 1 327.493 4.133 50 30 EIEAMO CC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771806 215209097 /nfs/dbraw/zinc/20/90/97/215209097.db2.gz SLUZAVSIPVCVMI-GOSISDBHSA-N 1 1 332.407 4.051 50 30 EIEAMO CC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)o1 ZINC000067771806 215209101 /nfs/dbraw/zinc/20/91/01/215209101.db2.gz SLUZAVSIPVCVMI-GOSISDBHSA-N 1 1 332.407 4.051 50 30 EIEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000019850217 212076807 /nfs/dbraw/zinc/07/68/07/212076807.db2.gz ZCSXUGSPSXIMLQ-CLCOLTQESA-N 1 1 343.474 4.382 50 30 EIEAMO Clc1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000019771320 212063304 /nfs/dbraw/zinc/06/33/04/212063304.db2.gz PAQIRZCACKYGCA-FYJGNVAPSA-N 1 1 348.277 4.145 50 30 EIEAMO Cc1ccsc1C[N@H+](Cc1ccc(C#CCO)s1)CC(C)C ZINC000055327943 525842505 /nfs/dbraw/zinc/84/25/05/525842505.db2.gz PJRZIDXSROUZFD-UHFFFAOYSA-N 1 1 333.522 4.120 50 30 EIEAMO C[N@@H+](Cc1ccsc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000120453917 564019569 /nfs/dbraw/zinc/01/95/69/564019569.db2.gz IBPQXSRJRFZAQY-UHFFFAOYSA-N 1 1 336.464 4.157 50 30 EIEAMO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000077505010 564134268 /nfs/dbraw/zinc/13/42/68/564134268.db2.gz YJWBVYAECGWKGP-KRWDZBQOSA-N 1 1 336.464 4.326 50 30 EIEAMO CCn1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000077505010 564134269 /nfs/dbraw/zinc/13/42/69/564134269.db2.gz YJWBVYAECGWKGP-KRWDZBQOSA-N 1 1 336.464 4.326 50 30 EIEAMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282105147 564146109 /nfs/dbraw/zinc/14/61/09/564146109.db2.gz WLJWOMPKZJWTHG-WMZOPIPTSA-N 1 1 330.472 4.462 50 30 EIEAMO CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000027992938 564149923 /nfs/dbraw/zinc/14/99/23/564149923.db2.gz AFFGEMUZKLGNPV-OAHLLOKOSA-N 1 1 342.443 4.076 50 30 EIEAMO Cc1cnc(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1C(C)C ZINC000581816443 1060022728 /nfs/dbraw/zinc/02/27/28/1060022728.db2.gz CPAOEZTUVBBJLU-FQEVSTJZSA-N 1 1 336.483 4.099 50 30 EIEAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000050099985 214045207 /nfs/dbraw/zinc/04/52/07/214045207.db2.gz PVBRXBJSIFSUIZ-KBPBESRZSA-N 1 1 329.469 4.376 50 30 EIEAMO CC1(C)CCC[C@@](C)(C#CC[N@H+]2CCC[C@H](c3cccnc3)C2)O1 ZINC000004575184 210225184 /nfs/dbraw/zinc/22/51/84/210225184.db2.gz NUNVPUXDSPVZBU-FPOVZHCZSA-N 1 1 326.484 4.002 50 30 EIEAMO COc1cc(Oc2cccc(C#N)n2)cc(Cl)c1C[NH+]1CCCC1 ZINC000067820096 215221879 /nfs/dbraw/zinc/22/18/79/215221879.db2.gz JWRUDSIIDAXBQN-UHFFFAOYSA-N 1 1 343.814 4.003 50 30 EIEAMO N#Cc1cccc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000078583672 217080501 /nfs/dbraw/zinc/08/05/01/217080501.db2.gz DJGKGFNXNPIGDY-UHFFFAOYSA-N 1 1 349.261 4.250 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000036102790 518726043 /nfs/dbraw/zinc/72/60/43/518726043.db2.gz MBFGOEZBWLQPLQ-FQEVSTJZSA-N 1 1 325.452 4.025 50 30 EIEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1ccc(NC(C)=O)cc1 ZINC000055224672 519068131 /nfs/dbraw/zinc/06/81/31/519068131.db2.gz XQUVBSQQUDTUAJ-UHFFFAOYSA-N 1 1 338.451 4.232 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@H](C)C4)[C@H]3C[C@@H]12 ZINC000105368870 564025101 /nfs/dbraw/zinc/02/51/01/564025101.db2.gz YELLOXCLALIHRR-BAAGBELRSA-N 1 1 331.500 4.033 50 30 biogenic EIEAMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007421485 564108331 /nfs/dbraw/zinc/10/83/31/564108331.db2.gz VKLPUQRXGUPZMQ-MRXNPFEDSA-N 1 1 335.451 4.141 50 30 EIEAMO C=CCc1cc(C)ccc1OCCOCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002822500 564116917 /nfs/dbraw/zinc/11/69/17/564116917.db2.gz IYPCCJHKDZPMTL-KDURUIRLSA-N 1 1 331.500 4.097 50 30 EIEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008714080 564166676 /nfs/dbraw/zinc/16/66/76/564166676.db2.gz ICHDEJUXIUEHIH-UHFFFAOYSA-N 1 1 347.256 4.185 50 30 EIEAMO CC[C@H]1CS/C(=[NH+]\CCOC)N1Cc1ccc(Cl)cc1Cl ZINC000013148127 1031494463 /nfs/dbraw/zinc/49/44/63/1031494463.db2.gz RNOBYNFNPHVJFC-VLFBTDHHSA-N 1 1 347.311 4.323 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@@H](C)C4)[C@H]3C[C@@H]12 ZINC000004042244 210106070 /nfs/dbraw/zinc/10/60/70/210106070.db2.gz YELLOXCLALIHRR-BXTZMNDESA-N 1 1 331.500 4.033 50 30 biogenic EIEAMO CC1(C)CCC[C@](C)(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)O1 ZINC000004000001 210099319 /nfs/dbraw/zinc/09/93/19/210099319.db2.gz MGHSLDDBTFCNLI-PZJWPPBQSA-N 1 1 326.484 4.350 50 30 biogenic EIEAMO CC1(C)CCC[C@](C)(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)O1 ZINC000004000001 210099320 /nfs/dbraw/zinc/09/93/20/210099320.db2.gz MGHSLDDBTFCNLI-PZJWPPBQSA-N 1 1 326.484 4.350 50 30 biogenic EIEAMO Cc1ncsc1CC[N@H+](C)Cc1ccc(-c2ccccc2C#N)o1 ZINC000072429957 216221723 /nfs/dbraw/zinc/22/17/23/216221723.db2.gz QVQUFUZXVUFOMT-UHFFFAOYSA-N 1 1 337.448 4.258 50 30 EIEAMO Clc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000019419360 212027565 /nfs/dbraw/zinc/02/75/65/212027565.db2.gz VPLQVVWFZJGKDT-FYJGNVAPSA-N 1 1 348.277 4.145 50 30 EIEAMO O=C(CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1 ZINC000022199643 527587995 /nfs/dbraw/zinc/58/79/95/527587995.db2.gz VCNDLBSCBWPJDG-KRWDZBQOSA-N 1 1 344.480 4.407 50 30 EIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013713352 563715238 /nfs/dbraw/zinc/71/52/38/563715238.db2.gz BEVHVSGZHFIYLQ-JEBJBBSMSA-N 1 1 347.462 4.152 50 30 EIEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013713352 563715241 /nfs/dbraw/zinc/71/52/41/563715241.db2.gz BEVHVSGZHFIYLQ-JEBJBBSMSA-N 1 1 347.462 4.152 50 30 EIEAMO N#Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000170651986 564120558 /nfs/dbraw/zinc/12/05/58/564120558.db2.gz QKVSBSBKCMHKIS-BETUJISGSA-N 1 1 336.279 4.121 50 30 EIEAMO N#Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000170651986 564120559 /nfs/dbraw/zinc/12/05/59/564120559.db2.gz QKVSBSBKCMHKIS-BETUJISGSA-N 1 1 336.279 4.121 50 30 EIEAMO C[C@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000245380962 564169154 /nfs/dbraw/zinc/16/91/54/564169154.db2.gz XKAPFDIMCVLRIR-YOUFYPILSA-N 1 1 327.516 4.157 50 30 EIEAMO C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000245380962 564169155 /nfs/dbraw/zinc/16/91/55/564169155.db2.gz XKAPFDIMCVLRIR-YOUFYPILSA-N 1 1 327.516 4.157 50 30 EIEAMO C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@H+]1Cc1cnc2nccn2c1 ZINC000055119816 214276885 /nfs/dbraw/zinc/27/68/85/214276885.db2.gz KDGNVGVOSZWGGP-UXHICEINSA-N 1 1 330.435 4.177 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@H](C)C4)[C@H]3C[C@@H]12 ZINC000004042248 210105863 /nfs/dbraw/zinc/10/58/63/210105863.db2.gz YELLOXCLALIHRR-OYIYKHNSSA-N 1 1 331.500 4.033 50 30 biogenic EIEAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000055060814 258015077 /nfs/dbraw/zinc/01/50/77/258015077.db2.gz QSLSLXFOTHJLPP-IBGZPJMESA-N 1 1 349.499 4.355 50 30 EIEAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000055060814 258015079 /nfs/dbraw/zinc/01/50/79/258015079.db2.gz QSLSLXFOTHJLPP-IBGZPJMESA-N 1 1 349.499 4.355 50 30 EIEAMO C#Cc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)cc1 ZINC000055182623 518358024 /nfs/dbraw/zinc/35/80/24/518358024.db2.gz FKXJBNZXWWXAHL-UHFFFAOYSA-N 1 1 342.442 4.274 50 30 EIEAMO C#Cc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)cc1 ZINC000055182623 518358033 /nfs/dbraw/zinc/35/80/33/518358033.db2.gz FKXJBNZXWWXAHL-UHFFFAOYSA-N 1 1 342.442 4.274 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104107 518726179 /nfs/dbraw/zinc/72/61/79/518726179.db2.gz PPPSCJUQKRYFQB-IBGZPJMESA-N 1 1 331.406 4.294 50 30 EIEAMO [NH2+]=C(NOC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004905491 526806005 /nfs/dbraw/zinc/80/60/05/526806005.db2.gz RTANNFRIUGTUHI-UHFFFAOYSA-N 1 1 344.414 4.072 50 30 EIEAMO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000408519005 563993108 /nfs/dbraw/zinc/99/31/08/563993108.db2.gz RHPGKTCFBXZCLL-QRTARXTBSA-N 1 1 340.389 4.265 50 30 EIEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000012902319 564077717 /nfs/dbraw/zinc/07/77/17/564077717.db2.gz MJEYEEWUEYSYNC-INIZCTEOSA-N 1 1 343.430 4.170 50 30 EIEAMO C[C@H](C#N)CCC[N@H+](Cc1ccccc1)[C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000245380961 564169177 /nfs/dbraw/zinc/16/91/77/564169177.db2.gz XKAPFDIMCVLRIR-VNYTWHDVSA-N 1 1 327.516 4.157 50 30 EIEAMO C[C@H](C#N)CCC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000245380961 564169178 /nfs/dbraw/zinc/16/91/78/564169178.db2.gz XKAPFDIMCVLRIR-VNYTWHDVSA-N 1 1 327.516 4.157 50 30 EIEAMO C#CCOc1ccc2ccccc2c1C[N@H+]1CCc2ccccc2C1 ZINC000004038174 210106475 /nfs/dbraw/zinc/10/64/75/210106475.db2.gz ZCASRYNPNNALDH-UHFFFAOYSA-N 1 1 327.427 4.410 50 30 EIEAMO CC(C)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000040025003 213252364 /nfs/dbraw/zinc/25/23/64/213252364.db2.gz GABCJVVTYVOPIT-UHFFFAOYSA-N 1 1 335.451 4.142 50 30 EIEAMO N#Cc1ccccc1C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000078583671 217080475 /nfs/dbraw/zinc/08/04/75/217080475.db2.gz FGMPCWHJHJJOPY-UHFFFAOYSA-N 1 1 349.261 4.250 50 30 EIEAMO N#Cc1ccccc1C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000078583671 217080477 /nfs/dbraw/zinc/08/04/77/217080477.db2.gz FGMPCWHJHJJOPY-UHFFFAOYSA-N 1 1 349.261 4.250 50 30 EIEAMO N#CCSCCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000095441625 218386381 /nfs/dbraw/zinc/38/63/81/218386381.db2.gz RBXHNCUYPIPHNK-NRFANRHFSA-N 1 1 336.504 4.475 50 30 EIEAMO CCCCC[NH+](CCCCC)CCC(=N)NOC(=O)c1ccccc1 ZINC000004427487 520164145 /nfs/dbraw/zinc/16/41/45/520164145.db2.gz RWORWFYQUXZLCC-UHFFFAOYSA-N 1 1 347.503 4.188 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(C(C)C)cc3)CC2)cc1 ZINC000022107645 524454509 /nfs/dbraw/zinc/45/45/09/524454509.db2.gz JKZXKMLIFLCOIJ-KQWNVCNZSA-N 1 1 335.495 4.270 50 30 EIEAMO Cc1ccc(C(=O)ONC(=[NH2+])C(c2ccccc2)c2ccccc2)cc1 ZINC000014074967 526236484 /nfs/dbraw/zinc/23/64/84/526236484.db2.gz DUHDIVYUNPEYTJ-UHFFFAOYSA-N 1 1 344.414 4.256 50 30 EIEAMO CCC(=[NH+]Nc1ccc(F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000004543900 563763338 /nfs/dbraw/zinc/76/33/38/563763338.db2.gz NDHPXXUXECWCRA-PTGBLXJZSA-N 1 1 345.393 4.028 50 30 EIEAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871596 563769092 /nfs/dbraw/zinc/76/90/92/563769092.db2.gz WGBVMFAPNKTLRJ-HXUWFJFHSA-N 1 1 331.419 4.157 50 30 EIEAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)cc1 ZINC000032871596 563769093 /nfs/dbraw/zinc/76/90/93/563769093.db2.gz WGBVMFAPNKTLRJ-HXUWFJFHSA-N 1 1 331.419 4.157 50 30 EIEAMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000408519004 563993118 /nfs/dbraw/zinc/99/31/18/563993118.db2.gz RHPGKTCFBXZCLL-KMFMINBZSA-N 1 1 340.389 4.265 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@@H](C)C4)[C@H]3C[C@@H]12 ZINC000105368868 564025109 /nfs/dbraw/zinc/02/51/09/564025109.db2.gz YELLOXCLALIHRR-QCFKTBRPSA-N 1 1 331.500 4.033 50 30 biogenic EIEAMO C=CC[N@@H+](Cc1ccc(C)s1)Cc1coc2ccccc2c1=O ZINC000063848895 564066397 /nfs/dbraw/zinc/06/63/97/564066397.db2.gz NLQGJQOCECHVPQ-UHFFFAOYSA-N 1 1 325.433 4.351 50 30 EIEAMO C=CC[N@H+](Cc1ccc(C)s1)Cc1coc2ccccc2c1=O ZINC000063848895 564066398 /nfs/dbraw/zinc/06/63/98/564066398.db2.gz NLQGJQOCECHVPQ-UHFFFAOYSA-N 1 1 325.433 4.351 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(N=Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000002946841 564117132 /nfs/dbraw/zinc/11/71/32/564117132.db2.gz JJWHTBQHMIFFKB-UHFFFAOYSA-N 1 1 341.886 4.109 50 30 EIEAMO CC(C)(C)CC(=O)ONC(=[NH2+])C1(c2ccc(Cl)cc2Cl)CC1 ZINC000004390191 210186338 /nfs/dbraw/zinc/18/63/38/210186338.db2.gz NKSBVDLLTVCXGD-UHFFFAOYSA-N 1 1 343.254 4.277 50 30 EIEAMO CN(C)/C=[NH+]/c1c(-c2nc(-c3ccc(Cl)cc3)cs2)cnn1C ZINC000004323297 210170415 /nfs/dbraw/zinc/17/04/15/210170415.db2.gz MIKJMMURZJNYKE-VCHYOVAHSA-N 1 1 345.859 4.085 50 30 EIEAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000011436422 211217147 /nfs/dbraw/zinc/21/71/47/211217147.db2.gz CIZQFEFSZJSMQS-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000011436422 211217154 /nfs/dbraw/zinc/21/71/54/211217154.db2.gz CIZQFEFSZJSMQS-LJQANCHMSA-N 1 1 340.398 4.052 50 30 EIEAMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000096971572 258011874 /nfs/dbraw/zinc/01/18/74/258011874.db2.gz HXYHMEFSDZLSEF-GFCCVEGCSA-N 1 1 329.271 4.069 50 30 EIEAMO C=CCn1cc(C[NH2+][C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c(C)n1 ZINC000055341186 519282034 /nfs/dbraw/zinc/28/20/34/519282034.db2.gz TZKLVFPCUACGDK-IBGZPJMESA-N 1 1 337.471 4.049 50 30 EIEAMO C=CCn1cc(C[NH2+][C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c(C)n1 ZINC000055341186 519282041 /nfs/dbraw/zinc/28/20/41/519282041.db2.gz TZKLVFPCUACGDK-IBGZPJMESA-N 1 1 337.471 4.049 50 30 EIEAMO CC[N@@H+](c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1)C(C)C ZINC000103396420 564022361 /nfs/dbraw/zinc/02/23/61/564022361.db2.gz CKWZYNSGMJAJJP-UHFFFAOYSA-N 1 1 328.456 4.175 50 30 EIEAMO CC[N@H+](c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1)C(C)C ZINC000103396420 564022362 /nfs/dbraw/zinc/02/23/62/564022362.db2.gz CKWZYNSGMJAJJP-UHFFFAOYSA-N 1 1 328.456 4.175 50 30 EIEAMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000015452211 564063348 /nfs/dbraw/zinc/06/33/48/564063348.db2.gz XEMPRNSKTFZEDZ-SFHVURJKSA-N 1 1 349.459 4.384 50 30 EIEAMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000058368553 564065254 /nfs/dbraw/zinc/06/52/54/564065254.db2.gz OGHFFIXQVWJRKQ-LJQANCHMSA-N 1 1 329.465 4.289 50 30 EIEAMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016338579 564082068 /nfs/dbraw/zinc/08/20/68/564082068.db2.gz WUFGSBIPYGSCHE-CQSZACIVSA-N 1 1 345.512 4.092 50 30 EIEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C)c1 ZINC000036095332 564095929 /nfs/dbraw/zinc/09/59/29/564095929.db2.gz NDIBUZGWGFCPSJ-OAQYLSRUSA-N 1 1 339.479 4.333 50 30 EIEAMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCC2(C#N)CCOCC2)o1 ZINC000282105138 564146104 /nfs/dbraw/zinc/14/61/04/564146104.db2.gz WLJWOMPKZJWTHG-AEFFLSMTSA-N 1 1 330.472 4.462 50 30 EIEAMO C=C(C)COc1ccc(NC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000952961608 1049681556 /nfs/dbraw/zinc/68/15/56/1049681556.db2.gz GEVIQKRCSILYQA-IBGZPJMESA-N 1 1 342.414 4.022 50 30 EIEAMO N#Cc1ccccc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067820472 215221257 /nfs/dbraw/zinc/22/12/57/215221257.db2.gz IJQRHXGGKCGBGS-XZOQPEGZSA-N 1 1 342.442 4.062 50 30 EIEAMO N#Cc1cccnc1Oc1cc(F)c(C[NH+]2CCCC2)c(Cl)c1 ZINC000067946924 215256450 /nfs/dbraw/zinc/25/64/50/215256450.db2.gz PKMMFEOIEPLPIK-UHFFFAOYSA-N 1 1 331.778 4.134 50 30 EIEAMO CCCCC1CCC(c2nc(C#N)c(N3CC[NH+](CC)CC3)o2)CC1 ZINC000008869505 211013490 /nfs/dbraw/zinc/01/34/90/211013490.db2.gz PDVOUVODVJPLKN-UHFFFAOYSA-N 1 1 344.503 4.152 50 30 EIEAMO CSC(=N/N=C(\C)c1ccc(Cl)c(Cl)c1)/[NH+]=C/N(C)C ZINC000095747992 563977680 /nfs/dbraw/zinc/97/76/80/563977680.db2.gz AXXZCHSXGRENDN-RCZDYDGJSA-N 1 1 331.272 4.026 50 30 EIEAMO CC1(C)CCC[C@](C)(C#CC[N@H+]2CCC[C@@H](c3cccnc3)C2)O1 ZINC000000100133 563983149 /nfs/dbraw/zinc/98/31/49/563983149.db2.gz NUNVPUXDSPVZBU-TZIWHRDSSA-N 1 1 326.484 4.002 50 30 EIEAMO N#Cc1ccc(CN2CCC[N@@H+](CCC3CCCCC3)CC2)cc1 ZINC000078949915 564000977 /nfs/dbraw/zinc/00/09/77/564000977.db2.gz COJOKKGYNNBXSZ-UHFFFAOYSA-N 1 1 325.500 4.036 50 30 EIEAMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000058368555 564065243 /nfs/dbraw/zinc/06/52/43/564065243.db2.gz OGHFFIXQVWJRKQ-IBGZPJMESA-N 1 1 329.465 4.289 50 30 EIEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC#CC(O)(c1ccccc1)c1ccccc1 ZINC000096194471 564066561 /nfs/dbraw/zinc/06/65/61/564066561.db2.gz KPKZOZWJISONAI-BGYRXZFFSA-N 1 1 333.475 4.189 50 30 EIEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098289 564095990 /nfs/dbraw/zinc/09/59/90/564095990.db2.gz GNIMTJWLVOVALP-FQEVSTJZSA-N 1 1 325.452 4.025 50 30 EIEAMO N#Cc1ccc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000089878987 564114649 /nfs/dbraw/zinc/11/46/49/564114649.db2.gz ABZYNFLSKHXPSS-HXUWFJFHSA-N 1 1 333.822 4.486 50 30 EIEAMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000252484468 564119254 /nfs/dbraw/zinc/11/92/54/564119254.db2.gz FXFZTRWKJAMCHY-CQSZACIVSA-N 1 1 346.272 4.072 50 30 EIEAMO CC(C)=CCC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231627 214292687 /nfs/dbraw/zinc/29/26/87/214292687.db2.gz AFMPMXZCZYIPAS-NHCUHLMSSA-N 1 1 326.484 4.109 50 30 EIEAMO CC(C)=CCC[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231627 214292690 /nfs/dbraw/zinc/29/26/90/214292690.db2.gz AFMPMXZCZYIPAS-NHCUHLMSSA-N 1 1 326.484 4.109 50 30 EIEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC[C@H]4C)[C@H]3C[C@H]12 ZINC000004028397 210103645 /nfs/dbraw/zinc/10/36/45/210103645.db2.gz DLJKJOVMBJSDEP-WGVHSKNFSA-N 1 1 331.500 4.175 50 30 biogenic EIEAMO CCN(CC)c1nc(Cl)c(C#N)c2c1C[N@@H+](C1CCCCC1)CC2 ZINC000020792442 212171489 /nfs/dbraw/zinc/17/14/89/212171489.db2.gz XSBXTPPDPMKLEW-UHFFFAOYSA-N 1 1 346.906 4.144 50 30 EIEAMO CCN(CC)c1nc(Cl)c(C#N)c2c1C[N@H+](C1CCCCC1)CC2 ZINC000020792442 212171494 /nfs/dbraw/zinc/17/14/94/212171494.db2.gz XSBXTPPDPMKLEW-UHFFFAOYSA-N 1 1 346.906 4.144 50 30 EIEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc4ccccc34)CC2)cc1 ZINC000019833230 212072852 /nfs/dbraw/zinc/07/28/52/212072852.db2.gz WZJQLFKMZZZXBD-JJIBRWJFSA-N 1 1 343.474 4.300 50 30 EIEAMO C=CCn1cc(C[NH2+][C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c(C)n1 ZINC000055341182 519282941 /nfs/dbraw/zinc/28/29/41/519282941.db2.gz TZKLVFPCUACGDK-LJQANCHMSA-N 1 1 337.471 4.049 50 30 EIEAMO C=CCn1cc(C[NH2+][C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c(C)n1 ZINC000055341182 519282946 /nfs/dbraw/zinc/28/29/46/519282946.db2.gz TZKLVFPCUACGDK-LJQANCHMSA-N 1 1 337.471 4.049 50 30 EIEAMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000015452210 564063371 /nfs/dbraw/zinc/06/33/71/564063371.db2.gz XEMPRNSKTFZEDZ-GOSISDBHSA-N 1 1 349.459 4.384 50 30 EIEAMO Clc1cccc(Cl)c1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000244673842 564075068 /nfs/dbraw/zinc/07/50/68/564075068.db2.gz HWOCHRTUARLXGS-UHFFFAOYSA-N 1 1 348.277 4.145 50 30 EIEAMO CCc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000244817152 564088609 /nfs/dbraw/zinc/08/86/09/564088609.db2.gz SVADOTKRZCVIMD-UHFFFAOYSA-N 1 1 335.495 4.018 50 30 EIEAMO N#CCSCCC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000095418694 564139821 /nfs/dbraw/zinc/13/98/21/564139821.db2.gz LCKDLINPDJKRFU-UHFFFAOYSA-N 1 1 340.414 4.441 50 30 EIEAMO