smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000371887313 250215071 /nfs/dbraw/zinc/21/50/71/250215071.db2.gz FKOUCMACVFDPFY-CQSZACIVSA-N 1 1 341.249 1.980 20 10 EDCDMO Cc1cc(Br)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000371887313 250215074 /nfs/dbraw/zinc/21/50/74/250215074.db2.gz FKOUCMACVFDPFY-CQSZACIVSA-N 1 1 341.249 1.980 20 10 EDCDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000372489779 250221344 /nfs/dbraw/zinc/22/13/44/250221344.db2.gz HYLCIZQBWUSXRW-DYVFJYSZSA-N 1 1 328.460 1.961 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 ZINC000373874298 250246625 /nfs/dbraw/zinc/24/66/25/250246625.db2.gz ZNOJGJZTKHWINJ-HNNXBMFYSA-N 1 1 328.420 1.280 20 10 EDCDMO O=S(=O)([C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1)N1CCCC1 ZINC000374902873 250275996 /nfs/dbraw/zinc/27/59/96/250275996.db2.gz YVRSMRCRVNSXCM-ZDUSSCGKSA-N 1 1 328.409 1.531 20 10 EDCDMO O=S(=O)([C@H]1CC[N@H+](Cc2cccc(F)c2O)C1)N1CCCC1 ZINC000374902873 250276000 /nfs/dbraw/zinc/27/60/00/250276000.db2.gz YVRSMRCRVNSXCM-ZDUSSCGKSA-N 1 1 328.409 1.531 20 10 EDCDMO COc1ccc(O)c(C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)c1 ZINC000378443605 447429160 /nfs/dbraw/zinc/42/91/60/447429160.db2.gz NDWXJEDKWFWVMU-MRXNPFEDSA-N 1 1 333.432 1.187 20 10 EDCDMO CC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000051688416 441420905 /nfs/dbraw/zinc/42/09/05/441420905.db2.gz ZWSVQTXDKGAOEU-UHFFFAOYSA-N 1 1 335.423 1.763 20 10 EDCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccncc3)CC2)cc1 ZINC000028476311 441433398 /nfs/dbraw/zinc/43/33/98/441433398.db2.gz FCHSRCPWEMMVOW-UHFFFAOYSA-N 1 1 340.427 1.642 20 10 EDCDMO COc1ccc(N2CCC[N@@H+](CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000066422916 441530719 /nfs/dbraw/zinc/53/07/19/441530719.db2.gz HFBHJUVYDNCKEV-UHFFFAOYSA-N 1 1 346.431 1.149 20 10 EDCDMO COc1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1O ZINC000092071830 441771208 /nfs/dbraw/zinc/77/12/08/441771208.db2.gz YUWFMAVVCLWIFR-ZDUSSCGKSA-N 1 1 326.418 1.057 20 10 EDCDMO Cc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(O)c1O ZINC000177676590 442369601 /nfs/dbraw/zinc/36/96/01/442369601.db2.gz SWUQIQMYHUWLFD-CYBMUJFWSA-N 1 1 334.416 1.732 20 10 EDCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000179719043 442494577 /nfs/dbraw/zinc/49/45/77/442494577.db2.gz PFVAEGOMZFCSDF-OAHLLOKOSA-N 1 1 326.462 1.994 20 10 EDCDMO COc1ccc(O)c(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000180631550 442638179 /nfs/dbraw/zinc/63/81/79/442638179.db2.gz ZCEJKRHUPCPLLK-HNNXBMFYSA-N 1 1 347.459 1.529 20 10 EDCDMO NC(=O)[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183029355 442867027 /nfs/dbraw/zinc/86/70/27/442867027.db2.gz UNYKRQLOASPNNB-SFHVURJKSA-N 1 1 342.395 1.657 20 10 EDCDMO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000183029355 442867029 /nfs/dbraw/zinc/86/70/29/442867029.db2.gz UNYKRQLOASPNNB-SFHVURJKSA-N 1 1 342.395 1.657 20 10 EDCDMO CCC[C@](C)(O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269284511 443266520 /nfs/dbraw/zinc/26/65/20/443266520.db2.gz BVJFETHCZHSPLI-IBGZPJMESA-N 1 1 349.475 1.485 20 10 EDCDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000278736401 443419539 /nfs/dbraw/zinc/41/95/39/443419539.db2.gz QZFWGDYHGPXOQD-JKSUJKDBSA-N 1 1 340.439 1.738 20 10 EDCDMO COCCn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000271052237 443488735 /nfs/dbraw/zinc/48/87/35/443488735.db2.gz WVHGTFFTFAFORT-UHFFFAOYSA-N 1 1 344.459 1.998 20 10 EDCDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000271186224 443494964 /nfs/dbraw/zinc/49/49/64/443494964.db2.gz NGXJVIBWSYGVBQ-HNNXBMFYSA-N 1 1 337.851 1.784 20 10 EDCDMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273464459 443575971 /nfs/dbraw/zinc/57/59/71/443575971.db2.gz IRWWEKYCNPBSRJ-QWRGUYRKSA-N 1 1 329.418 1.653 20 10 EDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000273575657 443580161 /nfs/dbraw/zinc/58/01/61/443580161.db2.gz LRSAJECIWDCPQO-ZDUSSCGKSA-N 1 1 336.432 1.940 20 10 EDCDMO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000293989703 444099127 /nfs/dbraw/zinc/09/91/27/444099127.db2.gz RYXYJHHHFRSVGB-NSHDSACASA-N 1 1 339.392 1.951 20 10 EDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289309394 444103646 /nfs/dbraw/zinc/10/36/46/444103646.db2.gz DNWOSQWDCDRZIN-CYBMUJFWSA-N 1 1 342.461 1.504 20 10 EDCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1F ZINC000289369382 444120259 /nfs/dbraw/zinc/12/02/59/444120259.db2.gz LGRLKJZEYJAOOO-AWEZNQCLSA-N 1 1 343.468 1.748 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1F ZINC000289369382 444120262 /nfs/dbraw/zinc/12/02/62/444120262.db2.gz LGRLKJZEYJAOOO-AWEZNQCLSA-N 1 1 343.468 1.748 20 10 EDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000297455033 444288030 /nfs/dbraw/zinc/28/80/30/444288030.db2.gz XGUYHFBBFCMQTG-UKRRQHHQSA-N 1 1 336.432 1.676 20 10 EDCDMO COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000364588745 445934394 /nfs/dbraw/zinc/93/43/94/445934394.db2.gz LTMAIKLRMVUWAA-UFGOTCBOSA-N 1 1 335.360 1.395 20 10 EDCDMO CCOc1cccc(C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1O ZINC000364677196 445945270 /nfs/dbraw/zinc/94/52/70/445945270.db2.gz YWTHXGCPMJEKGZ-ZDUSSCGKSA-N 1 1 345.403 1.318 20 10 EDCDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000370542921 446325424 /nfs/dbraw/zinc/32/54/24/446325424.db2.gz DNOGABXRWMCWIB-SFHVURJKSA-N 1 1 332.444 1.996 20 10 EDCDMO COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1OC ZINC000376386611 446467184 /nfs/dbraw/zinc/46/71/84/446467184.db2.gz OGMYYKFUHXUNPQ-GOSISDBHSA-N 1 1 334.416 1.854 20 10 EDCDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)nn1 ZINC000372034806 446983447 /nfs/dbraw/zinc/98/34/47/446983447.db2.gz YGLSOBPQPGCCNQ-CQSZACIVSA-N 1 1 330.388 1.916 20 10 EDCDMO O=C1CO[C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C[C@H]2N1 ZINC000377222872 447004567 /nfs/dbraw/zinc/00/45/67/447004567.db2.gz NQBHKQVIZFALDV-YPMHNXCESA-N 1 1 341.205 1.244 20 10 EDCDMO O=C1CO[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C[C@H]2N1 ZINC000377222872 447004574 /nfs/dbraw/zinc/00/45/74/447004574.db2.gz NQBHKQVIZFALDV-YPMHNXCESA-N 1 1 341.205 1.244 20 10 EDCDMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000515301227 448287292 /nfs/dbraw/zinc/28/72/92/448287292.db2.gz CBIACARSGDVZTB-CQSZACIVSA-N 1 1 333.432 1.446 20 10 EDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531474 528299830 /nfs/dbraw/zinc/29/98/30/528299830.db2.gz RSGQBLOQWAGVFB-OAHLLOKOSA-N 1 1 325.478 1.656 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(CCC3)C1)cc2=O ZINC000123315721 528317236 /nfs/dbraw/zinc/31/72/36/528317236.db2.gz REDRWWIIXVXSNA-UHFFFAOYSA-N 1 1 330.388 1.988 20 10 EDCDMO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000727471882 578529550 /nfs/dbraw/zinc/52/95/50/578529550.db2.gz POYUZLVDWNJGIW-SJORKVTESA-N 1 1 332.448 1.415 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000729542815 578581674 /nfs/dbraw/zinc/58/16/74/578581674.db2.gz WQVAVXQHRBTLFX-GOSISDBHSA-N 1 1 333.476 1.948 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000729542816 578581744 /nfs/dbraw/zinc/58/17/44/578581744.db2.gz WQVAVXQHRBTLFX-SFHVURJKSA-N 1 1 333.476 1.948 20 10 EDCDMO CC[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000734856873 578843008 /nfs/dbraw/zinc/84/30/08/578843008.db2.gz BQWLNHYEKMCWQM-GOSISDBHSA-N 1 1 346.475 1.807 20 10 EDCDMO CC[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000734856873 578843009 /nfs/dbraw/zinc/84/30/09/578843009.db2.gz BQWLNHYEKMCWQM-GOSISDBHSA-N 1 1 346.475 1.807 20 10 EDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000749972091 579746362 /nfs/dbraw/zinc/74/63/62/579746362.db2.gz OUVXHKWFPDPXDV-CYBMUJFWSA-N 1 1 335.429 1.454 20 10 EDCDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000751371302 579803350 /nfs/dbraw/zinc/80/33/50/579803350.db2.gz YIVXLLROYIGUOX-MRXNPFEDSA-N 1 1 347.459 1.423 20 10 EDCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000754052175 579895009 /nfs/dbraw/zinc/89/50/09/579895009.db2.gz XMBYASDSPZRZIY-AOIWGVFYSA-N 1 1 347.503 1.908 20 10 EDCDMO Fc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1N1CCOCC1 ZINC000757927844 579973216 /nfs/dbraw/zinc/97/32/16/579973216.db2.gz MGYFJFWFUDKJBG-INIZCTEOSA-N 1 1 335.423 1.179 20 10 EDCDMO Fc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)ccc1N1CCOCC1 ZINC000757927844 579973217 /nfs/dbraw/zinc/97/32/17/579973217.db2.gz MGYFJFWFUDKJBG-INIZCTEOSA-N 1 1 335.423 1.179 20 10 EDCDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)nn1 ZINC000762795297 580083661 /nfs/dbraw/zinc/08/36/61/580083661.db2.gz SWYDUJWBLFUIFN-LBPRGKRZSA-N 1 1 346.387 1.616 20 10 EDCDMO CCOc1ccc(C[NH+]2CCN(CC(=O)N(CC)CC)CC2)c(O)c1 ZINC000768214953 580209086 /nfs/dbraw/zinc/20/90/86/580209086.db2.gz JJJQARQOPHJZIV-UHFFFAOYSA-N 1 1 349.475 1.777 20 10 EDCDMO CCOC(=O)CC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768438887 580212672 /nfs/dbraw/zinc/21/26/72/580212672.db2.gz AAJJNUJOAYNGFR-MRXNPFEDSA-N 1 1 335.400 1.983 20 10 EDCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@](C)(O)C(C)C)CC2)cc1 ZINC000771288567 580283724 /nfs/dbraw/zinc/28/37/24/580283724.db2.gz SXWGINSJCFFAAM-LJQANCHMSA-N 1 1 349.475 1.340 20 10 EDCDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773369175 580335508 /nfs/dbraw/zinc/33/55/08/580335508.db2.gz BMKYZBZROCAZDI-HZPDHXFCSA-N 1 1 347.507 1.749 20 10 EDCDMO COc1c(O)c(C[NH2+]CCc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000774962658 580379140 /nfs/dbraw/zinc/37/91/40/580379140.db2.gz DFHHVNKNWSLCFC-UHFFFAOYSA-N 1 1 334.376 1.992 20 10 EDCDMO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774978229 580379664 /nfs/dbraw/zinc/37/96/64/580379664.db2.gz RSJGTYCRWZWVND-SNVBAGLBSA-N 1 1 325.365 1.703 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](O)C(C)(C)C1)cc2=O ZINC000782577363 580578224 /nfs/dbraw/zinc/57/82/24/580578224.db2.gz BARLKVHESJSPBL-ZDUSSCGKSA-N 1 1 348.403 1.204 20 10 EDCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783742318 580605081 /nfs/dbraw/zinc/60/50/81/580605081.db2.gz OAGWXXFSCNSVHH-IINYFYTJSA-N 1 1 328.206 1.978 20 10 EDCDMO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(F)cc(F)c1O ZINC000800501951 581054159 /nfs/dbraw/zinc/05/41/59/581054159.db2.gz IIMKEXPOAIFTEN-NSHDSACASA-N 1 1 331.359 1.879 20 10 EDCDMO COc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1OC ZINC000892047599 590770433 /nfs/dbraw/zinc/77/04/33/590770433.db2.gz AIVBZIADNYUKIQ-QWRGUYRKSA-N 1 1 331.434 1.663 20 10 EDCDMO COc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1OC ZINC000892047599 590770437 /nfs/dbraw/zinc/77/04/37/590770437.db2.gz AIVBZIADNYUKIQ-QWRGUYRKSA-N 1 1 331.434 1.663 20 10 EDCDMO Cc1nnc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000893330477 590783528 /nfs/dbraw/zinc/78/35/28/590783528.db2.gz YLLUSUFPXOHLLR-AWEZNQCLSA-N 1 1 345.472 1.838 20 10 EDCDMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892079513 590787742 /nfs/dbraw/zinc/78/77/42/590787742.db2.gz IJIQLALVJQHQDT-YJBOKZPZSA-N 1 1 345.491 1.236 20 10 EDCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892100989 590799844 /nfs/dbraw/zinc/79/98/44/590799844.db2.gz KPRRZRIPCOKEPD-GFCCVEGCSA-N 1 1 341.429 1.890 20 10 EDCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC000892944267 591234469 /nfs/dbraw/zinc/23/44/69/591234469.db2.gz OFDXAUXDQNPJCE-ZDUSSCGKSA-N 1 1 341.839 1.956 20 10 EDCDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C(=O)N1C ZINC000895919558 591304512 /nfs/dbraw/zinc/30/45/12/591304512.db2.gz GRTGGIMOXADNRJ-OAGGEKHMSA-N 1 1 331.460 1.963 20 10 EDCDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C(=O)N1C ZINC000895919558 591304514 /nfs/dbraw/zinc/30/45/14/591304514.db2.gz GRTGGIMOXADNRJ-OAGGEKHMSA-N 1 1 331.460 1.963 20 10 EDCDMO CN(C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1)S(C)(=O)=O ZINC000894740143 591404340 /nfs/dbraw/zinc/40/43/40/591404340.db2.gz PIUJPWNJYMXZLN-LLVKDONJSA-N 1 1 348.415 1.774 20 10 EDCDMO CN(C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1)S(C)(=O)=O ZINC000894740143 591404343 /nfs/dbraw/zinc/40/43/43/591404343.db2.gz PIUJPWNJYMXZLN-LLVKDONJSA-N 1 1 348.415 1.774 20 10 EDCDMO CN(C)c1ccc([C@@H](CNc2ccncc2C(N)=O)[NH+](C)C)cc1 ZINC000897525084 591528994 /nfs/dbraw/zinc/52/89/94/591528994.db2.gz JTZVBIHWIQHAML-QGZVFWFLSA-N 1 1 327.432 1.383 20 10 EDCDMO COc1ccc(N2CCCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000900294900 591977930 /nfs/dbraw/zinc/97/79/30/591977930.db2.gz NWTKYBPECQNWQT-LPHOPBHVSA-N 1 1 347.459 1.189 20 10 EDCDMO COc1ccc(N2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903734368 592297934 /nfs/dbraw/zinc/29/79/34/592297934.db2.gz YILCYRGINRXIKB-LJQANCHMSA-N 1 1 345.487 1.976 20 10 EDCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000910558318 592877614 /nfs/dbraw/zinc/87/76/14/592877614.db2.gz OPVOLMPBOKSGQY-INIZCTEOSA-N 1 1 346.519 1.602 20 10 EDCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911262087 592978505 /nfs/dbraw/zinc/97/85/05/592978505.db2.gz OGDKHRXUKPDMRH-GOSISDBHSA-N 1 1 329.400 1.403 20 10 EDCDMO CCN(CC)c1ccc(C[N@@H+](C)CCN2C(=O)N[C@H](C)C2=O)cc1 ZINC000838785151 593216901 /nfs/dbraw/zinc/21/69/01/593216901.db2.gz CIMKUUHMECSFQJ-CQSZACIVSA-N 1 1 332.448 1.905 20 10 EDCDMO COCC(COC)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000839623771 593353518 /nfs/dbraw/zinc/35/35/18/593353518.db2.gz TUWZYPWGSGTNRK-UHFFFAOYSA-N 1 1 335.492 1.840 20 10 EDCDMO COc1c(O)c(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000809703852 593356072 /nfs/dbraw/zinc/35/60/72/593356072.db2.gz QRYYIUJMHSDVSW-SECBINFHSA-N 1 1 344.389 1.364 20 10 EDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000809705154 593356413 /nfs/dbraw/zinc/35/64/13/593356413.db2.gz OWNKUBPSIOOPLU-DIFFPNOSSA-N 1 1 333.388 1.353 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CO)[C@@H]1C)cc2=O ZINC000839672911 593367609 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CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)nn1 ZINC000289738148 444197072 /nfs/dbraw/zinc/19/70/72/444197072.db2.gz KKJOHSOPVMMJRG-QSGSBWRWSA-N 1 1 336.367 1.560 20 10 EDCDMO CCCN1CC[NH+](C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000366326675 446152833 /nfs/dbraw/zinc/15/28/33/446152833.db2.gz RKRZSELSASUWCE-UHFFFAOYSA-N 1 1 344.503 1.830 20 10 EDCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000365818160 446354969 /nfs/dbraw/zinc/35/49/69/446354969.db2.gz JALYSOYCXAOLIA-GFCCVEGCSA-N 1 1 347.375 1.813 20 10 EDCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000365818160 446354972 /nfs/dbraw/zinc/35/49/72/446354972.db2.gz JALYSOYCXAOLIA-GFCCVEGCSA-N 1 1 347.375 1.813 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000365830002 446360063 /nfs/dbraw/zinc/36/00/63/446360063.db2.gz DRVJQSWQCSRDNZ-QGZVFWFLSA-N 1 1 327.432 1.512 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000365830002 446360070 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CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@]2(CCOC2)O1 ZINC000794695493 580903176 /nfs/dbraw/zinc/90/31/76/580903176.db2.gz QZMVAGGAAPHRBA-CRAIPNDOSA-N 1 1 335.400 1.588 20 10 EDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)cc2)CC1 ZINC000795580639 580929857 /nfs/dbraw/zinc/92/98/57/580929857.db2.gz DNLLNBKKRSKMMH-QZTJIDSGSA-N 1 1 333.476 1.173 20 10 EDCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000799955385 581039885 /nfs/dbraw/zinc/03/98/85/581039885.db2.gz GSDBYRVVAYSAKM-LBPRGKRZSA-N 1 1 342.395 1.995 20 10 EDCDMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000799955385 581039886 /nfs/dbraw/zinc/03/98/86/581039886.db2.gz GSDBYRVVAYSAKM-LBPRGKRZSA-N 1 1 342.395 1.995 20 10 EDCDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000892098135 590797901 /nfs/dbraw/zinc/79/79/01/590797901.db2.gz XSNJUIGLEMZISL-WBVHZDCISA-N 1 1 345.491 1.378 20 10 EDCDMO CN1CCCc2cc(CNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)ccc21 ZINC000892491745 591047735 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COc1c(O)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000278231648 444120845 /nfs/dbraw/zinc/12/08/45/444120845.db2.gz MTSGGABGHMGJMO-GFCCVEGCSA-N 1 1 333.348 1.738 20 10 EDCDMO CN(C)c1ccc(C2=CC[N@@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1 ZINC000366979045 446441456 /nfs/dbraw/zinc/44/14/56/446441456.db2.gz AGRVYLUNYYWOAG-HNNXBMFYSA-N 1 1 349.500 1.733 20 10 EDCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)c(O)c1 ZINC000371324786 446774431 /nfs/dbraw/zinc/77/44/31/446774431.db2.gz ALDONDUYSXQMRB-HNNXBMFYSA-N 1 1 342.461 1.695 20 10 EDCDMO COCC[N@H+]1CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759584781 580009725 /nfs/dbraw/zinc/00/97/25/580009725.db2.gz ZUIAFGJJDGRLHD-GFCCVEGCSA-N 1 1 344.506 1.645 20 10 EDCDMO CCN(CC)c1ccc(C[N@@H+](C)CCCS(=O)(=O)NC)cc1 ZINC000734844827 578839864 /nfs/dbraw/zinc/83/98/64/578839864.db2.gz YCJGZSOSJGNURA-UHFFFAOYSA-N 1 1 327.494 1.904 20 10 EDCDMO COc1cc(Cl)cc(C[N@H+](C)CCN2CCCS2(=O)=O)c1O ZINC000761201691 580051218 /nfs/dbraw/zinc/05/12/18/580051218.db2.gz 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C[C@H]1OCC[C@@]12CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000793230041 580838947 /nfs/dbraw/zinc/83/89/47/580838947.db2.gz CNTVMFSDNOXENR-YLJYHZDGSA-N 1 1 345.487 1.818 20 10 EDCDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796580821 580957134 /nfs/dbraw/zinc/95/71/34/580957134.db2.gz SWYOJBYOOPAPMG-QAPCUYQASA-N 1 1 349.475 1.183 20 10 EDCDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796580821 580957135 /nfs/dbraw/zinc/95/71/35/580957135.db2.gz SWYOJBYOOPAPMG-QAPCUYQASA-N 1 1 349.475 1.183 20 10 EDCDMO CCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891479372 591088774 /nfs/dbraw/zinc/08/87/74/591088774.db2.gz AYPLNAFZSUJYGK-CYBMUJFWSA-N 1 1 343.445 1.809 20 10 EDCDMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891479372 591088778 /nfs/dbraw/zinc/08/87/78/591088778.db2.gz AYPLNAFZSUJYGK-CYBMUJFWSA-N 1 1 343.445 1.809 20 10 EDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1O ZINC000894016670 591171567 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CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910604431 592880055 /nfs/dbraw/zinc/88/00/55/592880055.db2.gz LGOKCMQPRRVQRQ-UHFFFAOYSA-N 1 1 347.459 1.683 20 10 EDCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910604431 592880056 /nfs/dbraw/zinc/88/00/56/592880056.db2.gz LGOKCMQPRRVQRQ-UHFFFAOYSA-N 1 1 347.459 1.683 20 10 EDCDMO COc1ccc(N(C)CCN(C)C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1 ZINC000911890933 593031688 /nfs/dbraw/zinc/03/16/88/593031688.db2.gz DMQZKURDIPMSFY-QAPCUYQASA-N 1 1 335.448 1.045 20 10 EDCDMO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1ccc(N(C)C)cc1 ZINC000838560442 593187736 /nfs/dbraw/zinc/18/77/36/593187736.db2.gz XDWYYMWLMLTYFU-MAUKXSAKSA-N 1 1 348.491 1.960 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000103287687 593256378 /nfs/dbraw/zinc/25/63/78/593256378.db2.gz DMZZOIULSCFPEA-UHFFFAOYSA-N 1 1 346.475 1.441 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](CC(N)=O)C2CCCC2)cc1 ZINC000103287687 593256379 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594522046 /nfs/dbraw/zinc/52/20/46/594522046.db2.gz CUFDROCCAPKJCL-QGZVFWFLSA-N 1 1 348.466 1.582 20 10 EDCDMO COc1c(O)c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000827164363 594649797 /nfs/dbraw/zinc/64/97/97/594649797.db2.gz GNEDFNRCZPXLGG-KOLCDFICSA-N 1 1 344.389 1.364 20 10 EDCDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841298162 594882662 /nfs/dbraw/zinc/88/26/62/594882662.db2.gz MWRBBVVAYCSVJB-OAHLLOKOSA-N 1 1 331.420 1.039 20 10 EDCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000836223481 594939820 /nfs/dbraw/zinc/93/98/20/594939820.db2.gz BKOLAAOYZNKGFY-KRWDZBQOSA-N 1 1 334.464 1.399 20 10 EDCDMO C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1ccc(Cl)cc1O ZINC000841755803 594947859 /nfs/dbraw/zinc/94/78/59/594947859.db2.gz MELGAIMVOHDIPG-SNVBAGLBSA-N 1 1 337.811 1.867 20 10 EDCDMO CCN1CCN(c2ccc(CNC(=O)N(C)CC[NH3+])cc2F)CC1 ZINC000841793140 594953976 /nfs/dbraw/zinc/95/39/76/594953976.db2.gz OEVJVGBVYYLYBZ-UHFFFAOYSA-N 1 1 337.443 1.068 20 10 EDCDMO Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000841860042 594966987 /nfs/dbraw/zinc/96/69/87/594966987.db2.gz LOSOTSKTKSWYEF-MSOLQXFVSA-N 1 1 346.475 1.754 20 10 EDCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Nc3ncccn3)C1)[C@H](O)CO2 ZINC000842617782 595144041 /nfs/dbraw/zinc/14/40/41/595144041.db2.gz WGUZXSRCLNTAKN-SWLSCSKDSA-N 1 1 328.372 1.294 20 10 EDCDMO CCN1C(=O)[C@@H]2C[N@@H+](C/C=C/c3ccc(N(C)C)cc3)CCN2C1=O ZINC000835027979 595247656 /nfs/dbraw/zinc/24/76/56/595247656.db2.gz FRMOZULLIRHHTM-RTRPANQVSA-N 1 1 342.443 1.734 20 10 EDCDMO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000843121676 595291980 /nfs/dbraw/zinc/29/19/80/595291980.db2.gz GOWOCMGXICDPHV-AWEZNQCLSA-N 1 1 325.840 1.865 20 10 EDCDMO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000843121676 595291982 /nfs/dbraw/zinc/29/19/82/595291982.db2.gz GOWOCMGXICDPHV-AWEZNQCLSA-N 1 1 325.840 1.865 20 10 EDCDMO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc(Br)c1O ZINC000843122771 595292277 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EDCDMO COc1cc(C)cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000872807264 597078742 /nfs/dbraw/zinc/07/87/42/597078742.db2.gz LWFKVJOYFKZWCB-CALCHBBNSA-N 1 1 339.457 1.966 20 10 EDCDMO COc1cccc([C@@H](N)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506770 597224508 /nfs/dbraw/zinc/22/45/08/597224508.db2.gz OHRQOJPIJQEVEM-ZWKOTPCHSA-N 1 1 342.443 1.577 20 10 EDCDMO C[C@@H](O)CN1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876687855 597288498 /nfs/dbraw/zinc/28/84/98/597288498.db2.gz SIDBIJWXQGHRDQ-MRXNPFEDSA-N 1 1 333.476 1.146 20 10 EDCDMO C[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc2c(cc1O)CCCC2 ZINC000883304511 597709513 /nfs/dbraw/zinc/70/95/13/597709513.db2.gz YOQGVXYPAZVMAU-NSHDSACASA-N 1 1 341.415 1.457 20 10 EDCDMO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219980 /nfs/dbraw/zinc/21/99/80/250219980.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 1 1 346.519 1.589 20 10 EDCDMO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219983 /nfs/dbraw/zinc/21/99/83/250219983.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 1 1 346.519 1.589 20 10 EDCDMO C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416652 250219985 /nfs/dbraw/zinc/21/99/85/250219985.db2.gz PXPBUXQKAFITBB-YLJYHZDGSA-N 1 1 346.519 1.589 20 10 EDCDMO COc1c(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000373207522 250234844 /nfs/dbraw/zinc/23/48/44/250234844.db2.gz WZYQXJACIINVMF-UHFFFAOYSA-N 1 1 335.360 1.411 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000373994355 250248886 /nfs/dbraw/zinc/24/88/86/250248886.db2.gz XQYHFRMGBIJRGR-UHFFFAOYSA-N 1 1 341.459 1.972 20 10 EDCDMO COc1ccc(O)c([C@H](C)[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)c1 ZINC000377681100 250291044 /nfs/dbraw/zinc/29/10/44/250291044.db2.gz QXUGUUMGRREDPA-XZJROXQQSA-N 1 1 344.415 1.396 20 10 EDCDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218810 295004105 /nfs/dbraw/zinc/00/41/05/295004105.db2.gz VDRKTGHWDIKESV-GXTWGEPZSA-N 1 1 334.416 1.900 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/nfs/dbraw/zinc/73/94/42/591739442.db2.gz FDRMSNMUQVHFOH-ZDUSSCGKSA-N 1 1 334.185 1.877 20 10 EDCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895416510 591749940 /nfs/dbraw/zinc/74/99/40/591749940.db2.gz WRGLIQRCSAYHCM-JTQLQIEISA-N 1 1 334.388 1.432 20 10 EDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895416510 591749941 /nfs/dbraw/zinc/74/99/41/591749941.db2.gz WRGLIQRCSAYHCM-JTQLQIEISA-N 1 1 334.388 1.432 20 10 EDCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)C[C@@]2(O)CCOC2)C2CC2)cc1 ZINC000905916226 592680784 /nfs/dbraw/zinc/68/07/84/592680784.db2.gz VGAHWMGFVXNKJR-OALUTQOASA-N 1 1 334.460 1.619 20 10 EDCDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(N)C[C@@H]2c2ccccc2)cc1 ZINC000911667367 592974092 /nfs/dbraw/zinc/97/40/92/592974092.db2.gz QIPKLJMSSVBEQS-QWFCFKBJSA-N 1 1 338.455 1.754 20 10 EDCDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795689519 593190413 /nfs/dbraw/zinc/19/04/13/593190413.db2.gz HWZQLLXIBMLKKS-IFIJOSMWSA-N 1 1 334.416 1.113 20 10 EDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000803178314 593307806 /nfs/dbraw/zinc/30/78/06/593307806.db2.gz RSTHTRICAFEHIC-HNNXBMFYSA-N 1 1 344.459 1.030 20 10 EDCDMO CC(C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC000839669363 593366747 /nfs/dbraw/zinc/36/67/47/593366747.db2.gz OXTRYVCPTFELSV-INIZCTEOSA-N 1 1 346.475 1.358 20 10 EDCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000814227160 593579651 /nfs/dbraw/zinc/57/96/51/593579651.db2.gz QSAHDVSTCVUIKO-CYBMUJFWSA-N 1 1 327.446 1.966 20 10 EDCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000817413363 593603084 /nfs/dbraw/zinc/60/30/84/593603084.db2.gz XAYZMCRMWQSFDN-GFCCVEGCSA-N 1 1 343.221 1.874 20 10 EDCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000817413363 593603086 /nfs/dbraw/zinc/60/30/86/593603086.db2.gz XAYZMCRMWQSFDN-GFCCVEGCSA-N 1 1 343.221 1.874 20 10 EDCDMO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815601417 593643915 /nfs/dbraw/zinc/64/39/15/593643915.db2.gz VMZKSJFQJCALJL-JTQLQIEISA-N 1 1 332.322 1.920 20 10 EDCDMO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1[O-] ZINC000817945125 593651136 /nfs/dbraw/zinc/65/11/36/593651136.db2.gz URGAWAIVYNFQSG-LLVKDONJSA-N 1 1 328.254 1.711 20 10 EDCDMO COCCC[N@@H+](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168553 593742355 /nfs/dbraw/zinc/74/23/55/593742355.db2.gz QNACEAQQZPXHKL-UHFFFAOYSA-N 1 1 335.404 1.125 20 10 EDCDMO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000824693020 594057658 /nfs/dbraw/zinc/05/76/58/594057658.db2.gz JAKDIKAEJFCJEU-INIZCTEOSA-N 1 1 346.475 1.869 20 10 EDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000822503675 594058808 /nfs/dbraw/zinc/05/88/08/594058808.db2.gz KSBBCFKXDOYAAN-LBPRGKRZSA-N 1 1 333.348 1.738 20 10 EDCDMO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC[N@H+]1C ZINC000828519113 594443843 /nfs/dbraw/zinc/44/38/43/594443843.db2.gz FXWNKZYTOQWJHJ-ZDUSSCGKSA-N 1 1 340.807 1.641 20 10 EDCDMO COCCCn1nccc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841042027 594843352 /nfs/dbraw/zinc/84/33/52/594843352.db2.gz JJHMMFXHYMNOOB-GOSISDBHSA-N 1 1 331.464 1.775 20 10 EDCDMO CN1CCN(c2ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000841089998 594849731 /nfs/dbraw/zinc/84/97/31/594849731.db2.gz CQIOURUONZSABN-OAHLLOKOSA-N 1 1 330.398 1.808 20 10 EDCDMO CN1CCCc2cc(CNC(=O)N3CC[NH2+]C[C@@](C)(F)C3)ccc21 ZINC000841760745 594948301 /nfs/dbraw/zinc/94/83/01/594948301.db2.gz YOHPVSQGEREOAV-GOSISDBHSA-N 1 1 334.439 1.912 20 10 EDCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000843431943 595109546 /nfs/dbraw/zinc/10/95/46/595109546.db2.gz FIPSPPPLKMVEFW-CQSZACIVSA-N 1 1 332.322 1.901 20 10 EDCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000843434627 595110293 /nfs/dbraw/zinc/11/02/93/595110293.db2.gz LOSRYYANZXVNJK-ZYHUDNBSSA-N 1 1 344.205 1.511 20 10 EDCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000835026406 595247554 /nfs/dbraw/zinc/24/75/54/595247554.db2.gz TUBCSVWIBGUFHW-HMECNJMJSA-N 1 1 333.476 1.391 20 10 EDCDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028132 595247715 /nfs/dbraw/zinc/24/77/15/595247715.db2.gz JSGZCLLLFJDTLB-UKINESCASA-N 1 1 337.489 1.779 20 10 EDCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028132 595247718 /nfs/dbraw/zinc/24/77/18/595247718.db2.gz JSGZCLLLFJDTLB-UKINESCASA-N 1 1 337.489 1.779 20 10 EDCDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843058039 595276324 /nfs/dbraw/zinc/27/63/24/595276324.db2.gz NYKAMJQJTNTNQK-CZUORRHYSA-N 1 1 335.423 1.612 20 10 EDCDMO CCN1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC000844191524 595298568 /nfs/dbraw/zinc/29/85/68/595298568.db2.gz WEFGNQBEBUKOMB-HWWDLCQESA-N 1 1 346.450 1.049 20 10 EDCDMO CN1CCCc2cc(CNC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000847304066 595391356 /nfs/dbraw/zinc/39/13/56/595391356.db2.gz ZAKSQBHOMYCBQU-DLBZAZTESA-N 1 1 344.459 1.029 20 10 EDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847318397 595394884 /nfs/dbraw/zinc/39/48/84/595394884.db2.gz IKXIGTPUTQAFOH-DLBZAZTESA-N 1 1 332.448 1.021 20 10 EDCDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000847506365 595437152 /nfs/dbraw/zinc/43/71/52/595437152.db2.gz AMVNCXGEWYUVBG-INIZCTEOSA-N 1 1 345.487 1.853 20 10 EDCDMO COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)[NH+]3CCSCC3)C2)cc1 ZINC000855233666 595637694 /nfs/dbraw/zinc/63/76/94/595637694.db2.gz KHKYBNSNWRDEJE-HUUCEWRRSA-N 1 1 349.500 1.827 20 10 EDCDMO [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851663004 595873636 /nfs/dbraw/zinc/87/36/36/595873636.db2.gz QJZJOIRESPIZIG-UHFFFAOYSA-N 1 1 342.390 1.041 20 10 EDCDMO COc1ccc(N2CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])C2)cc1 ZINC000851664039 595874154 /nfs/dbraw/zinc/87/41/54/595874154.db2.gz PHUUCWKASSWQRS-LLVKDONJSA-N 1 1 328.363 1.167 20 10 EDCDMO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894917 595966418 /nfs/dbraw/zinc/96/64/18/595966418.db2.gz BGQBLQPYIGHQDN-QFBILLFUSA-N 1 1 335.492 1.875 20 10 EDCDMO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000852708589 596231353 /nfs/dbraw/zinc/23/13/53/596231353.db2.gz FPZSLMUIMICWGN-INIZCTEOSA-N 1 1 336.407 1.765 20 10 EDCDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862337371 596305007 /nfs/dbraw/zinc/30/50/07/596305007.db2.gz UMFQETRLZGSWPY-MRVPVSSYSA-N 1 1 335.223 1.018 20 10 EDCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862337371 596305009 /nfs/dbraw/zinc/30/50/09/596305009.db2.gz UMFQETRLZGSWPY-MRVPVSSYSA-N 1 1 335.223 1.018 20 10 EDCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000863339678 596556147 /nfs/dbraw/zinc/55/61/47/596556147.db2.gz FIJQHKFXCWNYEJ-ZDUSSCGKSA-N 1 1 338.473 1.642 20 10 EDCDMO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(OC)c1 ZINC000870165924 596783860 /nfs/dbraw/zinc/78/38/60/596783860.db2.gz CUVNXODTCOHBRK-GDBMZVCRSA-N 1 1 347.459 1.693 20 10 EDCDMO COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000874043676 596906139 /nfs/dbraw/zinc/90/61/39/596906139.db2.gz WLQPIMDQNVYDHX-IBGZPJMESA-N 1 1 347.459 1.362 20 10 EDCDMO COc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1Cn1cccn1 ZINC000873099070 597193617 /nfs/dbraw/zinc/19/36/17/597193617.db2.gz XWPFBYSQABHREF-QGZVFWFLSA-N 1 1 341.415 1.497 20 10 EDCDMO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876552123 597237503 /nfs/dbraw/zinc/23/75/03/597237503.db2.gz JYJALAZQZXMTLT-UHFFFAOYSA-N 1 1 331.460 1.702 20 10 EDCDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000876593798 597254022 /nfs/dbraw/zinc/25/40/22/597254022.db2.gz XZEYPOLRPCTMOI-HNNXBMFYSA-N 1 1 326.462 1.994 20 10 EDCDMO CN1C[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC000877649464 597544889 /nfs/dbraw/zinc/54/48/89/597544889.db2.gz XSTYBCSDGUDDEM-QGZVFWFLSA-N 1 1 331.460 1.700 20 10 EDCDMO CONC(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000877784483 597556055 /nfs/dbraw/zinc/55/60/55/597556055.db2.gz HEIWYHUIOZXKRG-UHFFFAOYSA-N 1 1 327.375 1.920 20 10 EDCDMO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(F)cc(F)c2O)C1=O ZINC000883028051 597623841 /nfs/dbraw/zinc/62/38/41/597623841.db2.gz YPLLUVDRKIWEGK-QFYYESIMSA-N 1 1 339.342 1.481 20 10 EDCDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000883188536 597681427 /nfs/dbraw/zinc/68/14/27/597681427.db2.gz LRKPTBMXTMVTNS-GFCCVEGCSA-N 1 1 346.341 1.477 20 10 EDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883308453 597710847 /nfs/dbraw/zinc/71/08/47/597710847.db2.gz POISNBFDWOLANY-YPMHNXCESA-N 1 1 341.429 1.797 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1 ZINC000879189601 597844712 /nfs/dbraw/zinc/84/47/12/597844712.db2.gz MZHQHTDZDXWULJ-SFHVURJKSA-N 1 1 341.459 1.881 20 10 EDCDMO COc1ccc2c(c1)CCN2Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000127689684 597902723 /nfs/dbraw/zinc/90/27/23/597902723.db2.gz DIEDMFCKKRTXSP-UHFFFAOYSA-N 1 1 339.443 1.800 20 10 EDCDMO COc1ccc(N2CC[NH+](CCN3CCOC3=O)CC2)c(OC)c1 ZINC000879461084 597923449 /nfs/dbraw/zinc/92/34/49/597923449.db2.gz CEDOWKSBKVWKTJ-UHFFFAOYSA-N 1 1 335.404 1.278 20 10 EDCDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1 ZINC000879485786 597932453 /nfs/dbraw/zinc/93/24/53/597932453.db2.gz FXKKTYDDYOVHGF-GOSISDBHSA-N 1 1 331.416 1.955 20 10 EDCDMO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093809907 237025241 /nfs/dbraw/zinc/02/52/41/237025241.db2.gz RWYSBIZGTTXZGG-QGZVFWFLSA-N 1 1 327.432 1.989 20 10 EDCDMO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093809907 237025250 /nfs/dbraw/zinc/02/52/50/237025250.db2.gz RWYSBIZGTTXZGG-QGZVFWFLSA-N 1 1 327.432 1.989 20 10 EDCDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000264478272 249336690 /nfs/dbraw/zinc/33/66/90/249336690.db2.gz ZINZIVICUVPHNC-CRAIPNDOSA-N 1 1 333.476 1.946 20 10 EDCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC[NH+]1CCOCC1 ZINC000266383283 249348338 /nfs/dbraw/zinc/34/83/38/249348338.db2.gz XTHQYQDRXYJNDY-UHFFFAOYSA-N 1 1 347.459 1.981 20 10 EDCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000352118212 250073459 /nfs/dbraw/zinc/07/34/59/250073459.db2.gz AEXZGAUJMQULOD-SFHVURJKSA-N 1 1 326.444 1.493 20 10 EDCDMO Oc1cc2c(cc1CN1CCC[N@H+](C3CCOCC3)CC1)OCO2 ZINC000361464582 250174324 /nfs/dbraw/zinc/17/43/24/250174324.db2.gz SJBQEEGQTOYPLP-UHFFFAOYSA-N 1 1 334.416 1.808 20 10 EDCDMO COc1c(O)c(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000367348598 250194500 /nfs/dbraw/zinc/19/45/00/250194500.db2.gz JJAQBRQMSIEPAD-NWDGAFQWSA-N 1 1 335.360 1.552 20 10 EDCDMO CN(C)c1ccc(C2=CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000374326998 250259382 /nfs/dbraw/zinc/25/93/82/250259382.db2.gz URTFHFPRXFFVOZ-UHFFFAOYSA-N 1 1 342.443 1.782 20 10 EDCDMO CCCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976360 441131631 /nfs/dbraw/zinc/13/16/31/441131631.db2.gz BSBYDZQIPFWOIX-HNNXBMFYSA-N 1 1 349.431 1.609 20 10 EDCDMO CCCNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976360 441131636 /nfs/dbraw/zinc/13/16/36/441131636.db2.gz BSBYDZQIPFWOIX-HNNXBMFYSA-N 1 1 349.431 1.609 20 10 EDCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1nncs1 ZINC000070976465 441131727 /nfs/dbraw/zinc/13/17/27/441131727.db2.gz UALSREQMUVEJTL-CYBMUJFWSA-N 1 1 348.428 1.863 20 10 EDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1nncs1 ZINC000070976465 441131730 /nfs/dbraw/zinc/13/17/30/441131730.db2.gz UALSREQMUVEJTL-CYBMUJFWSA-N 1 1 348.428 1.863 20 10 EDCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378538516 447441317 /nfs/dbraw/zinc/44/13/17/447441317.db2.gz GYQPBGPQEKEBDX-SJKUQHEZSA-N 1 1 332.400 1.481 20 10 EDCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378538516 447441325 /nfs/dbraw/zinc/44/13/25/447441325.db2.gz GYQPBGPQEKEBDX-SJKUQHEZSA-N 1 1 332.400 1.481 20 10 EDCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000092068572 441769953 /nfs/dbraw/zinc/76/99/53/441769953.db2.gz VFDNRIYGQHLMTO-MRXNPFEDSA-N 1 1 325.478 1.656 20 10 EDCDMO COCC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(N)=O ZINC000093136986 441859792 /nfs/dbraw/zinc/85/97/92/441859792.db2.gz USBVKUSJFOTKNL-SECBINFHSA-N 1 1 331.210 1.477 20 10 EDCDMO COCC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(N)=O ZINC000093136986 441859795 /nfs/dbraw/zinc/85/97/95/441859795.db2.gz USBVKUSJFOTKNL-SECBINFHSA-N 1 1 331.210 1.477 20 10 EDCDMO CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118842677 441906810 /nfs/dbraw/zinc/90/68/10/441906810.db2.gz WERFTQJXSBWLQF-KRWDZBQOSA-N 1 1 332.492 1.642 20 10 EDCDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(O)c1O ZINC000378563163 447442722 /nfs/dbraw/zinc/44/27/22/447442722.db2.gz XIPXEWFCGJYTQE-OAHLLOKOSA-N 1 1 347.459 1.647 20 10 EDCDMO Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1O ZINC000378563163 447442729 /nfs/dbraw/zinc/44/27/29/447442729.db2.gz XIPXEWFCGJYTQE-OAHLLOKOSA-N 1 1 347.459 1.647 20 10 EDCDMO CCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000151327883 442043621 /nfs/dbraw/zinc/04/36/21/442043621.db2.gz JGJODYCPIXMYAH-CYBMUJFWSA-N 1 1 332.853 1.949 20 10 EDCDMO CCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000151327883 442043624 /nfs/dbraw/zinc/04/36/24/442043624.db2.gz JGJODYCPIXMYAH-CYBMUJFWSA-N 1 1 332.853 1.949 20 10 EDCDMO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000163510787 442170611 /nfs/dbraw/zinc/17/06/11/442170611.db2.gz XUBBHXZCQIQGLH-MRXNPFEDSA-N 1 1 348.491 1.862 20 10 EDCDMO COc1cc(Cl)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000184670332 443056759 /nfs/dbraw/zinc/05/67/59/443056759.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 1 1 328.840 1.943 20 10 EDCDMO COc1cc(Cl)cc(CN(CCO)C2CC[NH+](C)CC2)c1O ZINC000184670332 443056763 /nfs/dbraw/zinc/05/67/63/443056763.db2.gz WDCIMNMHMMJPTP-UHFFFAOYSA-N 1 1 328.840 1.943 20 10 EDCDMO COc1c(O)c(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278477382 443343817 /nfs/dbraw/zinc/34/38/17/443343817.db2.gz IQEDLSBSUIIZHG-CMPLNLGQSA-N 1 1 326.349 1.593 20 10 EDCDMO COc1cccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c1O ZINC000269507744 443330181 /nfs/dbraw/zinc/33/01/81/443330181.db2.gz RYMXVTHRVRDZRH-GFCCVEGCSA-N 1 1 328.434 1.162 20 10 EDCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cc1OC ZINC000284912965 443793969 /nfs/dbraw/zinc/79/39/69/443793969.db2.gz BZSLWJHHULFGTJ-KRWDZBQOSA-N 1 1 348.403 1.028 20 10 EDCDMO COc1c(O)c(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284459165 443775502 /nfs/dbraw/zinc/77/55/02/443775502.db2.gz UXXPLDWSZUQRLA-UONOGXRCSA-N 1 1 337.376 1.214 20 10 EDCDMO COc1c(O)c(C[N@H+]2CC[C@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284459165 443775504 /nfs/dbraw/zinc/77/55/04/443775504.db2.gz UXXPLDWSZUQRLA-UONOGXRCSA-N 1 1 337.376 1.214 20 10 EDCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292746320 443832516 /nfs/dbraw/zinc/83/25/16/443832516.db2.gz HZRIVGGRMMRIRT-CYBMUJFWSA-N 1 1 332.853 1.820 20 10 EDCDMO CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000292791564 443845049 /nfs/dbraw/zinc/84/50/49/443845049.db2.gz MMNYPEHNDKERNM-AWEZNQCLSA-N 1 1 342.461 1.647 20 10 EDCDMO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000289398954 444129983 /nfs/dbraw/zinc/12/99/83/444129983.db2.gz GEMYNNOYNJXBKG-UHFFFAOYSA-N 1 1 343.468 1.795 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1F ZINC000289649355 444186511 /nfs/dbraw/zinc/18/65/11/444186511.db2.gz MRMYCPRHLVWLHR-UGSOOPFHSA-N 1 1 348.422 1.844 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](C)(COC)C1)cc2=O ZINC000296898578 444261587 /nfs/dbraw/zinc/26/15/87/444261587.db2.gz VSZXZNVTXPKLST-QGZVFWFLSA-N 1 1 348.403 1.470 20 10 EDCDMO COCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H](C)C(N)=O ZINC000297381984 444284728 /nfs/dbraw/zinc/28/47/28/444284728.db2.gz DMHQZDWYCYRPMP-HNNXBMFYSA-N 1 1 349.475 1.624 20 10 EDCDMO COCC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H](C)C(N)=O ZINC000297381984 444284731 /nfs/dbraw/zinc/28/47/31/444284731.db2.gz DMHQZDWYCYRPMP-HNNXBMFYSA-N 1 1 349.475 1.624 20 10 EDCDMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1=O ZINC000362796965 445553963 /nfs/dbraw/zinc/55/39/63/445553963.db2.gz KZOKRLPCZPWBSS-KRWDZBQOSA-N 1 1 347.371 1.026 20 10 EDCDMO C[N@H+]1CC[C@]2(CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)C1 ZINC000368305300 446772979 /nfs/dbraw/zinc/77/29/79/446772979.db2.gz UKKVFCCUZAYRSV-INIZCTEOSA-N 1 1 332.360 1.458 20 10 EDCDMO COc1cccc(C[N@H+]2CCCN(Cc3nccn3C)CC2)c1O ZINC000371418001 446841759 /nfs/dbraw/zinc/84/17/59/446841759.db2.gz XXOCBLUSCVVFAX-UHFFFAOYSA-N 1 1 330.432 1.842 20 10 EDCDMO CNC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1c1cnn(C)c1 ZINC000375525018 446872432 /nfs/dbraw/zinc/87/24/32/446872432.db2.gz OWZCIUJVFCVBTR-CABCVRRESA-N 1 1 348.834 1.741 20 10 EDCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000529664114 448918920 /nfs/dbraw/zinc/91/89/20/448918920.db2.gz JSOKYSHFBAQRHR-UHFFFAOYSA-N 1 1 339.823 1.216 20 10 EDCDMO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000726243084 578337564 /nfs/dbraw/zinc/33/75/64/578337564.db2.gz FPYMJKOOLQFECP-YJBOKZPZSA-N 1 1 346.475 1.978 20 10 EDCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000768209046 580208910 /nfs/dbraw/zinc/20/89/10/580208910.db2.gz XYAGCLXZIPCNAI-UHFFFAOYSA-N 1 1 344.459 1.562 20 10 EDCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463345 580213885 /nfs/dbraw/zinc/21/38/85/580213885.db2.gz HHTNPWQEWZVJKF-XHDPSFHLSA-N 1 1 335.400 1.982 20 10 EDCDMO COc1cccc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768533515 580215511 /nfs/dbraw/zinc/21/55/11/580215511.db2.gz SSODJEKFONLTNH-UHFFFAOYSA-N 1 1 340.420 1.720 20 10 EDCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000775036121 580381404 /nfs/dbraw/zinc/38/14/04/580381404.db2.gz BMBAVEVJCACQJW-GWCFXTLKSA-N 1 1 325.365 1.118 20 10 EDCDMO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCOC1 ZINC000775067631 580382070 /nfs/dbraw/zinc/38/20/70/580382070.db2.gz DDPITVFVPGNXRC-OAHLLOKOSA-N 1 1 340.332 1.121 20 10 EDCDMO C[NH+]1CCN(c2ccc(CN3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000775667274 580396677 /nfs/dbraw/zinc/39/66/77/580396677.db2.gz HMEMDOOJTYIFIV-GOSISDBHSA-N 1 1 328.460 1.245 20 10 EDCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000779196861 580480857 /nfs/dbraw/zinc/48/08/57/580480857.db2.gz ZYYMOSBOJRVLSP-SNVBAGLBSA-N 1 1 332.322 1.901 20 10 EDCDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000782912731 580588075 /nfs/dbraw/zinc/58/80/75/580588075.db2.gz GLNAFDUERVFMOP-ACJLOTCBSA-N 1 1 348.443 1.503 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@]1(CC)CO)cc2=O ZINC000784387550 580620015 /nfs/dbraw/zinc/62/00/15/580620015.db2.gz FBFDXDKPUQJRBO-KRWDZBQOSA-N 1 1 348.403 1.349 20 10 EDCDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cn1 ZINC000790474138 580771270 /nfs/dbraw/zinc/77/12/70/580771270.db2.gz WVTLYXZXUWYVDU-GDBMZVCRSA-N 1 1 347.440 1.842 20 10 EDCDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cn1 ZINC000790474138 580771271 /nfs/dbraw/zinc/77/12/71/580771271.db2.gz WVTLYXZXUWYVDU-GDBMZVCRSA-N 1 1 347.440 1.842 20 10 EDCDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cccc(O)c1O ZINC000794589293 580899100 /nfs/dbraw/zinc/89/91/00/580899100.db2.gz XZEOVVBWOSGWSL-AWEZNQCLSA-N 1 1 328.368 1.917 20 10 EDCDMO COCCn1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000800284931 581049704 /nfs/dbraw/zinc/04/97/04/581049704.db2.gz DBBMTGQDXXXIAP-UHFFFAOYSA-N 1 1 343.475 1.571 20 10 EDCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000800860595 581060116 /nfs/dbraw/zinc/06/01/16/581060116.db2.gz VQKRYSCQPWJQNO-PXAZEXFGSA-N 1 1 329.400 1.931 20 10 EDCDMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000894268475 591258179 /nfs/dbraw/zinc/25/81/79/591258179.db2.gz LDCOEUPLEUGFMD-GFCCVEGCSA-N 1 1 336.388 1.379 20 10 EDCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000895708180 591260174 /nfs/dbraw/zinc/26/01/74/591260174.db2.gz QHOQVUOQBSPJOO-CYBMUJFWSA-N 1 1 330.178 1.265 20 10 EDCDMO O=S(=O)(CC[NH2+]Cc1cc(F)cc(F)c1O)C1CCOCC1 ZINC000894901917 591466493 /nfs/dbraw/zinc/46/64/93/591466493.db2.gz 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CCN(CC)C(=O)CN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768214516 580209114 /nfs/dbraw/zinc/20/91/14/580209114.db2.gz CSXRTPXYPKQTEY-UHFFFAOYSA-N 1 1 335.448 1.387 20 10 EDCDMO Oc1cc2c(cc1C[N@H+]1CCCN(CC(F)(F)F)CC1)[C@H](O)CO2 ZINC000768446561 580213272 /nfs/dbraw/zinc/21/32/72/580213272.db2.gz KVCNYFRWEFRQGT-CQSZACIVSA-N 1 1 346.349 1.888 20 10 EDCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H](C)C(N)=O)C1 ZINC000769662543 580242287 /nfs/dbraw/zinc/24/22/87/580242287.db2.gz DTJCKOLDUBWHOI-CYBMUJFWSA-N 1 1 343.427 1.825 20 10 EDCDMO COc1c(O)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000774915004 580377562 /nfs/dbraw/zinc/37/75/62/580377562.db2.gz PEJWZSSBWDUMKN-LBPRGKRZSA-N 1 1 337.376 1.609 20 10 EDCDMO COc1c(O)c(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000774915004 580377563 /nfs/dbraw/zinc/37/75/63/580377563.db2.gz PEJWZSSBWDUMKN-LBPRGKRZSA-N 1 1 337.376 1.609 20 10 EDCDMO C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200523 580480923 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CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894610398 591359661 /nfs/dbraw/zinc/35/96/61/591359661.db2.gz MVHPIKRGBKDRSL-ZDUSSCGKSA-N 1 1 327.352 1.742 20 10 EDCDMO CCS(=O)(=O)N1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@H](C)C1 ZINC000894759558 591406602 /nfs/dbraw/zinc/40/66/02/591406602.db2.gz BFQALYVNHHRPPS-CYBMUJFWSA-N 1 1 342.461 1.565 20 10 EDCDMO CCS(=O)(=O)N1CC[N@@H+](Cc2cc(C)cc(OC)c2O)[C@H](C)C1 ZINC000894759558 591406603 /nfs/dbraw/zinc/40/66/03/591406603.db2.gz BFQALYVNHHRPPS-CYBMUJFWSA-N 1 1 342.461 1.565 20 10 EDCDMO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1OC ZINC000894780272 591416003 /nfs/dbraw/zinc/41/60/03/591416003.db2.gz CQBNCZCIHKSUHP-ZDUSSCGKSA-N 1 1 337.420 1.645 20 10 EDCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895331862 591718010 /nfs/dbraw/zinc/71/80/10/591718010.db2.gz RQIYQHWNAAKWHX-SMDDNHRTSA-N 1 1 346.221 1.481 20 10 EDCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1C(C)C ZINC000902525112 592010988 /nfs/dbraw/zinc/01/09/88/592010988.db2.gz WBUUDLNIKOIXSR-CYBMUJFWSA-N 1 1 326.462 1.934 20 10 EDCDMO COc1ccc(N2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000900507936 592040504 /nfs/dbraw/zinc/04/05/04/592040504.db2.gz JXIGSNZFMRVKHX-APWZRJJASA-N 1 1 347.459 1.235 20 10 EDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000838478858 593177542 /nfs/dbraw/zinc/17/75/42/593177542.db2.gz MVMKXTHUSLMDSY-KRWDZBQOSA-N 1 1 348.491 1.707 20 10 EDCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000808216591 593241322 /nfs/dbraw/zinc/24/13/22/593241322.db2.gz BTRCEBOWFZAYGA-CXAGYDPISA-N 1 1 334.416 1.556 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@H]3CS4)CC2)cc1 ZINC000839201172 593275705 /nfs/dbraw/zinc/27/57/05/593275705.db2.gz DVEHXQRRLRFBHG-RDJZCZTQSA-N 1 1 347.484 1.534 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@H]3CS4)CC2)cc1 ZINC000839201172 593275707 /nfs/dbraw/zinc/27/57/07/593275707.db2.gz DVEHXQRRLRFBHG-RDJZCZTQSA-N 1 1 347.484 1.534 20 10 EDCDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840185501 593361117 /nfs/dbraw/zinc/36/11/17/593361117.db2.gz FWEOIFODHDNRJC-LLVKDONJSA-N 1 1 325.386 1.459 20 10 EDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000824726379 594062512 /nfs/dbraw/zinc/06/25/12/594062512.db2.gz KTSAETXJWWZBRP-KRWDZBQOSA-N 1 1 325.403 1.640 20 10 EDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000824726379 594062514 /nfs/dbraw/zinc/06/25/14/594062514.db2.gz KTSAETXJWWZBRP-KRWDZBQOSA-N 1 1 325.403 1.640 20 10 EDCDMO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@H](CO)C3)cc2)CC1 ZINC000829147831 594573862 /nfs/dbraw/zinc/57/38/62/594573862.db2.gz ZPOPFXCQTMANPE-KXBFYZLASA-N 1 1 334.460 1.883 20 10 EDCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@H](CO)C3)cc2)CC1 ZINC000829147831 594573864 /nfs/dbraw/zinc/57/38/64/594573864.db2.gz ZPOPFXCQTMANPE-KXBFYZLASA-N 1 1 334.460 1.883 20 10 EDCDMO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000826995713 594619704 /nfs/dbraw/zinc/61/97/04/594619704.db2.gz ZOLBHHIUAJCQBA-QGZVFWFLSA-N 1 1 331.416 1.550 20 10 EDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999719 594620264 /nfs/dbraw/zinc/62/02/64/594620264.db2.gz ACTGIOZMUBQNPD-SFHVURJKSA-N 1 1 344.459 1.465 20 10 EDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999719 594620266 /nfs/dbraw/zinc/62/02/66/594620266.db2.gz ACTGIOZMUBQNPD-SFHVURJKSA-N 1 1 344.459 1.465 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H](C)C3)CC2)cc1 ZINC000832706787 594770693 /nfs/dbraw/zinc/77/06/93/594770693.db2.gz KAVYUPLPBVCTGG-DOTOQJQBSA-N 1 1 347.459 1.047 20 10 EDCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(Cl)c1 ZINC000840918670 594827893 /nfs/dbraw/zinc/82/78/93/594827893.db2.gz XWOGLIFXKVVVKM-ZDUSSCGKSA-N 1 1 328.840 1.479 20 10 EDCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000840948577 594831112 /nfs/dbraw/zinc/83/11/12/594831112.db2.gz FJMYFLJCLIBOLO-SFHVURJKSA-N 1 1 329.448 1.982 20 10 EDCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000840974816 594834510 /nfs/dbraw/zinc/83/45/10/594834510.db2.gz HPJGHVVKBUDZQA-YJBOKZPZSA-N 1 1 349.431 1.760 20 10 EDCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841071965 594847588 /nfs/dbraw/zinc/84/75/88/594847588.db2.gz KMQSOVNEKNCLEP-CQSZACIVSA-N 1 1 332.448 1.692 20 10 EDCDMO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000841751188 594947455 /nfs/dbraw/zinc/94/74/55/594947455.db2.gz MGYBIFIANWRYJH-QWRGUYRKSA-N 1 1 332.853 1.978 20 10 EDCDMO Nc1ccc(CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000841860046 594966975 /nfs/dbraw/zinc/96/69/75/594966975.db2.gz LOSOTSKTKSWYEF-ZWKOTPCHSA-N 1 1 346.475 1.754 20 10 EDCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000837818211 595204433 /nfs/dbraw/zinc/20/44/33/595204433.db2.gz ZRKFRLIGSWQGHK-KRWDZBQOSA-N 1 1 346.475 1.759 20 10 EDCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c1 ZINC000835074806 595257535 /nfs/dbraw/zinc/25/75/35/595257535.db2.gz WMOKNPCGHCUNSO-CYBMUJFWSA-N 1 1 344.415 1.779 20 10 EDCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)c1 ZINC000835074806 595257536 /nfs/dbraw/zinc/25/75/36/595257536.db2.gz WMOKNPCGHCUNSO-CYBMUJFWSA-N 1 1 344.415 1.779 20 10 EDCDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)OC1=O ZINC000846766987 595313735 /nfs/dbraw/zinc/31/37/35/595313735.db2.gz ZLIRMFIZAZNSHD-QGZVFWFLSA-N 1 1 333.432 1.796 20 10 EDCDMO COc1cc(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)cc(OC)c1OC ZINC000844316444 595322864 /nfs/dbraw/zinc/32/28/64/595322864.db2.gz FAWLVAMDZHTKRX-ZDUSSCGKSA-N 1 1 349.431 1.113 20 10 EDCDMO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000845065777 595436137 /nfs/dbraw/zinc/43/61/37/595436137.db2.gz SISLVOILVFNPRS-YGRLFVJLSA-N 1 1 327.812 1.564 20 10 EDCDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@H]21 ZINC000853570711 595808895 /nfs/dbraw/zinc/80/88/95/595808895.db2.gz RKASCDYWZJIPBW-UAGQMJEPSA-N 1 1 348.424 1.184 20 10 EDCDMO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850406569 595828771 /nfs/dbraw/zinc/82/87/71/595828771.db2.gz LVQCXMXPSNDEIK-UHFFFAOYSA-N 1 1 329.448 1.857 20 10 EDCDMO COc1ccc(N2CC[C@H](NC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000854303564 596028869 /nfs/dbraw/zinc/02/88/69/596028869.db2.gz YAUYHLSIXNVVQN-HNNXBMFYSA-N 1 1 332.448 1.621 20 10 EDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000862526410 596340244 /nfs/dbraw/zinc/34/02/44/596340244.db2.gz AUSGYZOCUXAPLO-YDIMBITNSA-N 1 1 347.528 1.924 20 10 EDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000862526410 596340246 /nfs/dbraw/zinc/34/02/46/596340246.db2.gz AUSGYZOCUXAPLO-YDIMBITNSA-N 1 1 347.528 1.924 20 10 EDCDMO COc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1O ZINC000123348841 596370483 /nfs/dbraw/zinc/37/04/83/596370483.db2.gz YODVTILMYVNHIX-ZDUSSCGKSA-N 1 1 333.432 1.186 20 10 EDCDMO CCCn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000865631200 596633394 /nfs/dbraw/zinc/63/33/94/596633394.db2.gz BVCDZKLNPKOHJQ-UHFFFAOYSA-N 1 1 329.448 1.939 20 10 EDCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876512342 597225752 /nfs/dbraw/zinc/22/57/52/597225752.db2.gz MDAPLGNIFXJYTN-GOSISDBHSA-N 1 1 345.487 1.996 20 10 EDCDMO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876687422 597288423 /nfs/dbraw/zinc/28/84/23/597288423.db2.gz IXQVKKYFRNRQHP-SFHVURJKSA-N 1 1 331.460 1.604 20 10 EDCDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876687422 597288426 /nfs/dbraw/zinc/28/84/26/597288426.db2.gz IXQVKKYFRNRQHP-SFHVURJKSA-N 1 1 331.460 1.604 20 10 EDCDMO CC(=O)N1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000876748065 597319587 /nfs/dbraw/zinc/31/95/87/597319587.db2.gz UKLGAZITNQVHFM-OAHLLOKOSA-N 1 1 331.460 1.700 20 10 EDCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000876748065 597319592 /nfs/dbraw/zinc/31/95/92/597319592.db2.gz UKLGAZITNQVHFM-OAHLLOKOSA-N 1 1 331.460 1.700 20 10 EDCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000877424139 597513138 /nfs/dbraw/zinc/51/31/38/597513138.db2.gz GXKGDTSWGHPAAQ-QGZVFWFLSA-N 1 1 327.432 1.686 20 10 EDCDMO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877434771 597515140 /nfs/dbraw/zinc/51/51/40/597515140.db2.gz ULHVVIAHKFGAGB-LJQANCHMSA-N 1 1 330.428 1.929 20 10 EDCDMO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877434771 597515142 /nfs/dbraw/zinc/51/51/42/597515142.db2.gz ULHVVIAHKFGAGB-LJQANCHMSA-N 1 1 330.428 1.929 20 10 EDCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)cc2)CC1 ZINC000879695806 597691562 /nfs/dbraw/zinc/69/15/62/597691562.db2.gz RIBKDIDEIKGXPA-CALCHBBNSA-N 1 1 334.460 1.334 20 10 EDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000883716827 597874092 /nfs/dbraw/zinc/87/40/92/597874092.db2.gz SWHRWKCCMGJOFH-GDBMZVCRSA-N 1 1 332.448 1.667 20 10 EDCDMO C[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1ccc(F)cc1O ZINC000185050223 698856447 /nfs/dbraw/zinc/85/64/47/698856447.db2.gz VNTWJESFNUIVKH-NSHDSACASA-N 1 1 345.374 1.597 20 10 EDCDMO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000101663194 237039253 /nfs/dbraw/zinc/03/92/53/237039253.db2.gz INXADHPKJVQXKU-OAHLLOKOSA-N 1 1 330.476 1.321 20 10 EDCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000124460797 237150595 /nfs/dbraw/zinc/15/05/95/237150595.db2.gz ZURVSLRFYBXDFQ-INIZCTEOSA-N 1 1 348.443 1.862 20 10 EDCDMO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C ZINC000368190500 250199612 /nfs/dbraw/zinc/19/96/12/250199612.db2.gz NZQCINWQSOZIBS-UHFFFAOYSA-N 1 1 341.477 1.323 20 10 EDCDMO COc1cccc(C[N@H+]2CCN(C[C@H]3CN(C)CCO3)C[C@@H]2C)c1O ZINC000372417992 250218724 /nfs/dbraw/zinc/21/87/24/250218724.db2.gz ZSHDFPLDGXZGKP-DOTOQJQBSA-N 1 1 349.475 1.238 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000378234246 250298354 /nfs/dbraw/zinc/29/83/54/250298354.db2.gz LYFDCPWTGHCHGT-IAGOWNOFSA-N 1 1 331.460 1.727 20 10 EDCDMO C[N@@H+](Cc1ccccc1O)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378495530 447434658 /nfs/dbraw/zinc/43/46/58/447434658.db2.gz MSTKBYIPLCWHKK-UHFFFAOYSA-N 1 1 331.460 1.911 20 10 EDCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121005331 442164035 /nfs/dbraw/zinc/16/40/35/442164035.db2.gz VFDTVRIDTIQBHA-IBGZPJMESA-N 1 1 331.460 1.430 20 10 EDCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000179719227 442493879 /nfs/dbraw/zinc/49/38/79/442493879.db2.gz VUEPLEIZKONZEW-AWEZNQCLSA-N 1 1 342.461 1.695 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000179065584 442564010 /nfs/dbraw/zinc/56/40/10/442564010.db2.gz GEBRMTWDDBLWDB-UHFFFAOYSA-N 1 1 333.476 1.948 20 10 EDCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000184677164 443057499 /nfs/dbraw/zinc/05/74/99/443057499.db2.gz WVBWAVYDRXKLTE-UHFFFAOYSA-N 1 1 348.852 1.522 20 10 EDCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000184677164 443057504 /nfs/dbraw/zinc/05/75/04/443057504.db2.gz 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/nfs/dbraw/zinc/85/58/32/596855832.db2.gz HEEUSICSAUYDOF-ZBINZKHDSA-N 1 1 337.807 1.413 20 10 EDCDMO CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(F)cc1O ZINC000866439827 596887185 /nfs/dbraw/zinc/88/71/85/596887185.db2.gz IZOKNSHCRYQQKT-OUJBWJOFSA-N 1 1 326.368 1.638 20 10 EDCDMO Cc1cccc(O)c1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000876568797 597244178 /nfs/dbraw/zinc/24/41/78/597244178.db2.gz SAELFKIBPHQLGS-UHFFFAOYSA-N 1 1 331.460 1.831 20 10 EDCDMO OC1CCN(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876965458 597400188 /nfs/dbraw/zinc/40/01/88/597400188.db2.gz DEKMIDKLCVMWEU-UHFFFAOYSA-N 1 1 347.503 1.584 20 10 EDCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877588618 597539357 /nfs/dbraw/zinc/53/93/57/597539357.db2.gz URMAURSFUQNRGS-INIZCTEOSA-N 1 1 331.460 1.558 20 10 EDCDMO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883145521 597666850 /nfs/dbraw/zinc/66/68/50/597666850.db2.gz DTALEDMNXSVMSI-RYUDHWBXSA-N 1 1 336.201 1.905 20 10 EDCDMO CC[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(N(C)C)cc1 ZINC000883334288 597718023 /nfs/dbraw/zinc/71/80/23/597718023.db2.gz SWTRIWFXQBJGFP-OAHLLOKOSA-N 1 1 340.431 1.735 20 10 EDCDMO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Cl)ccc1O ZINC000883335551 597719159 /nfs/dbraw/zinc/71/91/59/597719159.db2.gz VVYNABKOTXWENK-SECBINFHSA-N 1 1 333.779 1.638 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000880170601 597864405 /nfs/dbraw/zinc/86/44/05/597864405.db2.gz JNAKAQNRTULFJH-UHFFFAOYSA-N 1 1 344.459 1.113 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000880170601 597864406 /nfs/dbraw/zinc/86/44/06/597864406.db2.gz JNAKAQNRTULFJH-UHFFFAOYSA-N 1 1 344.459 1.113 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@@H]1CCC[C@H]1O)cc2=O ZINC000270064665 249381802 /nfs/dbraw/zinc/38/18/02/249381802.db2.gz HGJZRWASWJOBHI-SMDDNHRTSA-N 1 1 348.403 1.204 20 10 EDCDMO CN1CCc2cc(CNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc21 ZINC000372466858 250221112 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CC[N@H+]1CCO[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000734941387 578846386 /nfs/dbraw/zinc/84/63/86/578846386.db2.gz AJUQTOJAAOGKNT-QGZVFWFLSA-N 1 1 346.475 1.589 20 10 EDCDMO CN(Cc1ccccc1O)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000735849493 578928716 /nfs/dbraw/zinc/92/87/16/578928716.db2.gz JXYAQVMYODPHSJ-HXUWFJFHSA-N 1 1 340.423 1.988 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCCCO)C1CC1)cc2=O ZINC000735871732 578931011 /nfs/dbraw/zinc/93/10/11/578931011.db2.gz OCZYGRAXEDAHKW-UHFFFAOYSA-N 1 1 348.403 1.349 20 10 EDCDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000764677441 580126282 /nfs/dbraw/zinc/12/62/82/580126282.db2.gz HMPMTKTWMSIAOR-KRWDZBQOSA-N 1 1 338.473 1.532 20 10 EDCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000764677441 580126283 /nfs/dbraw/zinc/12/62/83/580126283.db2.gz HMPMTKTWMSIAOR-KRWDZBQOSA-N 1 1 338.473 1.532 20 10 EDCDMO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765440949 580142538 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COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775725819 580398567 /nfs/dbraw/zinc/39/85/67/580398567.db2.gz QYCDVLXRALYYKH-LJQANCHMSA-N 1 1 347.503 1.923 20 10 EDCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1OC ZINC000775979238 580405611 /nfs/dbraw/zinc/40/56/11/580405611.db2.gz SVBCPWRPCUZSAZ-OTWHNJEPSA-N 1 1 333.476 1.720 20 10 EDCDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000783345987 580598507 /nfs/dbraw/zinc/59/85/07/580598507.db2.gz XLXAOCBRZRCZEX-LBPRGKRZSA-N 1 1 336.388 1.116 20 10 EDCDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000787328376 580693204 /nfs/dbraw/zinc/69/32/04/580693204.db2.gz ROQZRCSYOXTTIQ-XJKSGUPXSA-N 1 1 333.432 1.252 20 10 EDCDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000892098132 590798054 /nfs/dbraw/zinc/79/80/54/590798054.db2.gz XSNJUIGLEMZISL-DOTOQJQBSA-N 1 1 345.491 1.378 20 10 EDCDMO COc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c(O)c1OC ZINC000891746298 591207736 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CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cccc(OC)c2O)CC1 ZINC000129247682 528019906 /nfs/dbraw/zinc/01/99/06/528019906.db2.gz LLCLQGUQFYZJLE-UHFFFAOYSA-N 1 1 349.475 1.777 20 10 EDCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(O)cccc3OC)C2)nn1 ZINC000761225994 580052241 /nfs/dbraw/zinc/05/22/41/580052241.db2.gz LTXFBYODTPNZLY-LLVKDONJSA-N 1 1 332.360 1.226 20 10 EDCDMO NC(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981056 580064737 /nfs/dbraw/zinc/06/47/37/580064737.db2.gz MFHQEPXGNWCXAZ-GFCCVEGCSA-N 1 1 325.796 1.002 20 10 EDCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444965 580213138 /nfs/dbraw/zinc/21/31/38/580213138.db2.gz DTSCTJDAMGNCNG-CYBMUJFWSA-N 1 1 328.434 1.223 20 10 EDCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444969 580213145 /nfs/dbraw/zinc/21/31/45/580213145.db2.gz DTSCTJDAMGNCNG-ZDUSSCGKSA-N 1 1 328.434 1.223 20 10 EDCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768461842 580213712 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COc1c(O)c(C[NH2+]CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000775034031 580381351 /nfs/dbraw/zinc/38/13/51/580381351.db2.gz PHFJYENYDWGOHJ-UHFFFAOYSA-N 1 1 337.376 1.705 20 10 EDCDMO COc1c(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000775063572 580382002 /nfs/dbraw/zinc/38/20/02/580382002.db2.gz STHRYRSFBUPXKL-UHFFFAOYSA-N 1 1 332.378 1.222 20 10 EDCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)[C@H](C)C3CC3)CC2)cc1 ZINC000779217352 580481340 /nfs/dbraw/zinc/48/13/40/580481340.db2.gz FXXOPPQZSHMPPU-VQIMIIECSA-N 1 1 347.503 1.908 20 10 EDCDMO COc1ccc(N2CC[NH+](CCNC(=O)CCC(C)(C)O)CC2)cc1 ZINC000787248598 580690762 /nfs/dbraw/zinc/69/07/62/580690762.db2.gz VPNOKTFEKFSMTB-UHFFFAOYSA-N 1 1 349.475 1.485 20 10 EDCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC2(CCOCC2)O1 ZINC000790388794 580768173 /nfs/dbraw/zinc/76/81/73/580768173.db2.gz MBSUJAUDGCUADO-WBMJQRKESA-N 1 1 335.400 1.588 20 10 EDCDMO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000792200629 580813238 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COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000802651897 593268712 /nfs/dbraw/zinc/26/87/12/593268712.db2.gz GJZVXTWMBMQQEQ-CYBMUJFWSA-N 1 1 340.376 1.936 20 10 EDCDMO COCCNC(=O)C1([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000839191654 593273059 /nfs/dbraw/zinc/27/30/59/593273059.db2.gz CEKPNMZCWRYSMB-UHFFFAOYSA-N 1 1 343.221 1.540 20 10 EDCDMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804031973 593382611 /nfs/dbraw/zinc/38/26/11/593382611.db2.gz ZOFCFAYSTWVQOS-UHFFFAOYSA-N 1 1 348.491 1.525 20 10 EDCDMO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888267 593645075 /nfs/dbraw/zinc/64/50/75/593645075.db2.gz CHNBPEFIWAZDTI-KYJSFNMBSA-N 1 1 330.476 1.476 20 10 EDCDMO COc1ccc(N2CC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC000819591932 593760102 /nfs/dbraw/zinc/76/01/02/593760102.db2.gz XYILVODDYUQKNE-OAHLLOKOSA-N 1 1 328.416 1.843 20 10 EDCDMO COC[C@]1(CO)CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000825158727 594138344 /nfs/dbraw/zinc/13/83/44/594138344.db2.gz 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COc1cc(Br)cc(C[N@@H+](C)CC(=O)NC2CC2)c1O ZINC000120318411 596424619 /nfs/dbraw/zinc/42/46/19/596424619.db2.gz FVJJLCXYHSUWQA-UHFFFAOYSA-N 1 1 343.221 1.874 20 10 EDCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000875673254 596942601 /nfs/dbraw/zinc/94/26/01/596942601.db2.gz DLDYTENFIMIRIZ-YJBOKZPZSA-N 1 1 348.491 1.358 20 10 EDCDMO Cc1cccc(O)c1C[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000876798780 597343736 /nfs/dbraw/zinc/34/37/36/597343736.db2.gz OEELGZXKVVWXNY-CQSZACIVSA-N 1 1 338.415 1.849 20 10 EDCDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462624 597519387 /nfs/dbraw/zinc/51/93/87/597519387.db2.gz TYKPARAWJCYQIU-LJQANCHMSA-N 1 1 345.487 1.994 20 10 EDCDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877462624 597519388 /nfs/dbraw/zinc/51/93/88/597519388.db2.gz TYKPARAWJCYQIU-LJQANCHMSA-N 1 1 345.487 1.994 20 10 EDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CCOCC1 ZINC000877643158 597543984 /nfs/dbraw/zinc/54/39/84/597543984.db2.gz 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ZINC000918738378 697204877 /nfs/dbraw/zinc/20/48/77/697204877.db2.gz AEJDJDYWMZFUOZ-UHFFFAOYSA-N 1 1 330.344 1.837 20 10 EDCDMO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)cc1C ZINC000999857838 707443565 /nfs/dbraw/zinc/44/35/65/707443565.db2.gz PKAZNZZSIXKXJR-HNNXBMFYSA-N 1 1 343.431 1.825 20 10 EDCDMO CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001034834542 711207695 /nfs/dbraw/zinc/20/76/95/711207695.db2.gz CHXQZYWKAVUTKF-CQSZACIVSA-N 1 1 344.419 1.162 20 10 EDCDMO COc1cccc(C[N@H+]2CCN(C[C@@H]3CN(C)CCO3)C[C@H]2C)c1O ZINC000372417997 250219113 /nfs/dbraw/zinc/21/91/13/250219113.db2.gz ZSHDFPLDGXZGKP-WBVHZDCISA-N 1 1 349.475 1.238 20 10 EDCDMO O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000158913940 441771918 /nfs/dbraw/zinc/77/19/18/441771918.db2.gz TXFVSIXLIQPOGV-SFHVURJKSA-N 1 1 342.395 1.615 20 10 EDCDMO O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000158913940 441771925 /nfs/dbraw/zinc/77/19/25/441771925.db2.gz TXFVSIXLIQPOGV-SFHVURJKSA-N 1 1 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CCNC(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876554015 597237996 /nfs/dbraw/zinc/23/79/96/597237996.db2.gz ZABLGNHHZWBSGG-UHFFFAOYSA-N 1 1 346.475 1.495 20 10 EDCDMO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126249632 597395190 /nfs/dbraw/zinc/39/51/90/597395190.db2.gz CWXYQEDLTIGGAL-KRWDZBQOSA-N 1 1 346.475 1.217 20 10 EDCDMO COCC[N@H+](CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526141 597530812 /nfs/dbraw/zinc/53/08/12/597530812.db2.gz QEKUOEOXIKGFTN-UHFFFAOYSA-N 1 1 335.492 1.658 20 10 EDCDMO COCC[N@@H+](CCN(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526141 597530813 /nfs/dbraw/zinc/53/08/13/597530813.db2.gz QEKUOEOXIKGFTN-UHFFFAOYSA-N 1 1 335.492 1.658 20 10 EDCDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)C1 ZINC000877714360 597550091 /nfs/dbraw/zinc/55/00/91/597550091.db2.gz NIMISQRCKGQAIG-KRWDZBQOSA-N 1 1 335.379 1.786 20 10 EDCDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)C1 ZINC000877714360 597550092 /nfs/dbraw/zinc/55/00/92/597550092.db2.gz 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C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921879 697491314 /nfs/dbraw/zinc/49/13/14/697491314.db2.gz YCMXQEXUYOCZJD-INIZCTEOSA-N 1 1 346.475 1.931 20 10 EDCDMO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945226678 705328473 /nfs/dbraw/zinc/32/84/73/705328473.db2.gz XDOYHNHOGJFWIV-IUODEOHRSA-N 1 1 347.419 1.672 20 10 EDCDMO CN(c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376235115 250286416 /nfs/dbraw/zinc/28/64/16/250286416.db2.gz OBZDKIRNBKIXPC-FOSCPWQOSA-N 1 1 346.387 1.987 20 10 EDCDMO COc1ccc(O)c(C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)c1 ZINC000378443604 447428278 /nfs/dbraw/zinc/42/82/78/447428278.db2.gz NDWXJEDKWFWVMU-INIZCTEOSA-N 1 1 333.432 1.187 20 10 EDCDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000081528000 441283257 /nfs/dbraw/zinc/28/32/57/441283257.db2.gz OYYOUVLCTOGHCR-CQSZACIVSA-N 1 1 334.464 1.025 20 10 EDCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686758 441469535 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CN(C)c1ccc(CNC(=O)NCC[N@H+]2CCCOCC2)cc1F ZINC000187078257 442651421 /nfs/dbraw/zinc/65/14/21/442651421.db2.gz CZLFGISUYAWOGD-UHFFFAOYSA-N 1 1 338.427 1.413 20 10 EDCDMO CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187316473 442669090 /nfs/dbraw/zinc/66/90/90/442669090.db2.gz OGRIURDEYGNQHW-UHFFFAOYSA-N 1 1 332.448 1.176 20 10 EDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+](C)CCOC ZINC000263727196 443236990 /nfs/dbraw/zinc/23/69/90/443236990.db2.gz FFFNENGIZWSWAQ-UHFFFAOYSA-N 1 1 336.480 1.862 20 10 EDCDMO CCS(=O)(=O)NCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000264562156 443326875 /nfs/dbraw/zinc/32/68/75/443326875.db2.gz PNPNNXIPRQVXRP-UHFFFAOYSA-N 1 1 327.494 1.902 20 10 EDCDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000278461169 443339280 /nfs/dbraw/zinc/33/92/80/443339280.db2.gz ZYFQGNDFQNOXFC-PWSUYJOCSA-N 1 1 338.360 1.940 20 10 EDCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000278461169 443339285 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C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283840062 443737996 /nfs/dbraw/zinc/73/79/96/443737996.db2.gz CJRSPERTHXACTB-OAHLLOKOSA-N 1 1 346.475 1.217 20 10 EDCDMO Cc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1N(C)C ZINC000293667124 444083123 /nfs/dbraw/zinc/08/31/23/444083123.db2.gz ZDWZGDYQCKZRDY-UHFFFAOYSA-N 1 1 325.478 1.528 20 10 EDCDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301637097 444183348 /nfs/dbraw/zinc/18/33/48/444183348.db2.gz XABBPZOQVJWHPC-NSHDSACASA-N 1 1 334.376 1.704 20 10 EDCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1C ZINC000364670837 445942652 /nfs/dbraw/zinc/94/26/52/445942652.db2.gz FCZPZNBTZAURQO-CQSZACIVSA-N 1 1 329.404 1.537 20 10 EDCDMO C[C@@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)cc1O ZINC000366045740 445981046 /nfs/dbraw/zinc/98/10/46/445981046.db2.gz CIHJRDRVWMMIKN-OCCSQVGLSA-N 1 1 346.406 1.945 20 10 EDCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)cc1 ZINC000369510234 446126894 /nfs/dbraw/zinc/12/68/94/446126894.db2.gz PBLXUPRLYURCEJ-KRWDZBQOSA-N 1 1 340.475 1.831 20 10 EDCDMO COc1c(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000365825881 446359625 /nfs/dbraw/zinc/35/96/25/446359625.db2.gz PBSGHOVINHRLGL-QGZVFWFLSA-N 1 1 349.387 1.753 20 10 EDCDMO COc1c(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)ccc1[N+](=O)[O-] ZINC000365825881 446359629 /nfs/dbraw/zinc/35/96/29/446359629.db2.gz PBSGHOVINHRLGL-QGZVFWFLSA-N 1 1 349.387 1.753 20 10 EDCDMO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1O ZINC000370697977 446392442 /nfs/dbraw/zinc/39/24/42/446392442.db2.gz MJIZXFDHZCTSBH-NVXWUHKLSA-N 1 1 333.476 1.859 20 10 EDCDMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1O ZINC000370697977 446392443 /nfs/dbraw/zinc/39/24/43/446392443.db2.gz MJIZXFDHZCTSBH-NVXWUHKLSA-N 1 1 333.476 1.859 20 10 EDCDMO COc1cccc(C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)c1O ZINC000371314297 446768943 /nfs/dbraw/zinc/76/89/43/446768943.db2.gz LPNFXLVKFBXHFU-OAHLLOKOSA-N 1 1 333.432 1.187 20 10 EDCDMO COc1ccc(N2CCC([N@@H+](C)CCN3CCNC3=O)CC2)cc1 ZINC000377555146 447200274 /nfs/dbraw/zinc/20/02/74/447200274.db2.gz RKEMYUHMGKIEMZ-UHFFFAOYSA-N 1 1 332.448 1.621 20 10 EDCDMO COC(=O)CCNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298731013 523090476 /nfs/dbraw/zinc/09/04/76/523090476.db2.gz SFIZIBLQWCNXLQ-UHFFFAOYSA-N 1 1 333.432 1.396 20 10 EDCDMO COc1ccc(N2CCN(C(=O)CO[NH+]=C(N)CC3CC3)CC2)cc1 ZINC000742364890 579450055 /nfs/dbraw/zinc/45/00/55/579450055.db2.gz LHBPVEBQPITRIO-UHFFFAOYSA-N 1 1 346.431 1.642 20 10 EDCDMO O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCCC1 ZINC000732192448 578696781 /nfs/dbraw/zinc/69/67/81/578696781.db2.gz YVNZXCLNSAHRBZ-ZDUSSCGKSA-N 1 1 332.400 1.955 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)C[C@H]1CCOC1)cc2=O ZINC000734152139 578799171 /nfs/dbraw/zinc/79/91/71/578799171.db2.gz PSILCKHGQPFLTE-GFCCVEGCSA-N 1 1 348.403 1.470 20 10 EDCDMO Oc1ccccc1C[N@H+](C[C@@H](O)CN1CCCC1)C[C@H]1CCCO1 ZINC000749296214 579720835 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333.388 1.716 20 10 EDCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1N=NC(=O)N1C ZINC000895182304 591645008 /nfs/dbraw/zinc/64/50/08/591645008.db2.gz WEOTZPJPCXPNBR-LLVKDONJSA-N 1 1 335.383 1.347 20 10 EDCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000897866170 591699711 /nfs/dbraw/zinc/69/97/11/591699711.db2.gz SCLVZIYWOOAMFI-XJKSGUPXSA-N 1 1 332.448 1.140 20 10 EDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000897866170 591699714 /nfs/dbraw/zinc/69/97/14/591699714.db2.gz SCLVZIYWOOAMFI-XJKSGUPXSA-N 1 1 332.448 1.140 20 10 EDCDMO O=C1OC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3[O-])C[C@@H]12 ZINC000895415790 591749232 /nfs/dbraw/zinc/74/92/32/591749232.db2.gz YXILDCZNQGGWLV-PSASIEDQSA-N 1 1 330.153 1.899 20 10 EDCDMO CC(C)N1CC[NH+](CCC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000901121797 592240621 /nfs/dbraw/zinc/24/06/21/592240621.db2.gz JCMGXFXZMNSKOM-UHFFFAOYSA-N 1 1 335.448 1.173 20 10 EDCDMO C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc(N(C)C)cc1 ZINC000807140804 593147665 /nfs/dbraw/zinc/14/76/65/593147665.db2.gz OGJGDTVVKGRLGW-LSDHHAIUSA-N 1 1 334.464 1.522 20 10 EDCDMO C[C@@H]1NC(=O)N(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)C1=O ZINC000838896635 593236451 /nfs/dbraw/zinc/23/64/51/593236451.db2.gz WTNVPCRJYONXBC-ZDUSSCGKSA-N 1 1 343.383 1.928 20 10 EDCDMO CON1CCC([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839618522 593351962 /nfs/dbraw/zinc/35/19/62/593351962.db2.gz LEACKUNFXCTXEZ-UHFFFAOYSA-N 1 1 334.464 1.326 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3(C)C)CC2)cc1 ZINC000812864280 593511337 /nfs/dbraw/zinc/51/13/37/593511337.db2.gz CWVSWLHFSWSDBV-QGZVFWFLSA-N 1 1 347.459 1.189 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(CN(C)C[C@@H]1CCC[N@H+]1C)cc2=O ZINC000817291965 593589898 /nfs/dbraw/zinc/58/98/98/593589898.db2.gz RJSFDCMTIJPUEI-ZDUSSCGKSA-N 1 1 347.419 1.138 20 10 EDCDMO C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000817882069 593643786 /nfs/dbraw/zinc/64/37/86/593643786.db2.gz XFUJIQMEOQTLEJ-WBVHZDCISA-N 1 1 331.460 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1.725 20 10 EDCDMO C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848295263 595355827 /nfs/dbraw/zinc/35/58/27/595355827.db2.gz MDFSIYAKGZXLCS-QJUUANMTSA-N 1 1 334.416 1.725 20 10 EDCDMO COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1CCCC2 ZINC000848491555 595395256 /nfs/dbraw/zinc/39/52/56/595395256.db2.gz WBXGRYOCURYZRB-VVFCZOMOSA-N 1 1 347.411 1.983 20 10 EDCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849561195 595568453 /nfs/dbraw/zinc/56/84/53/595568453.db2.gz HRAHDYUGYRPBRH-IRXDYDNUSA-N 1 1 342.443 1.820 20 10 EDCDMO CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000853474486 595762016 /nfs/dbraw/zinc/76/20/16/595762016.db2.gz JJEDALPGLLVLLU-SFHVURJKSA-N 1 1 346.475 1.759 20 10 EDCDMO CCOCc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)ccc1OC ZINC000850360636 595819354 /nfs/dbraw/zinc/81/93/54/595819354.db2.gz IMMFXMGOOPRWKX-GDBMZVCRSA-N 1 1 343.445 1.133 20 10 EDCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cnccn1 ZINC000851841721 595943431 /nfs/dbraw/zinc/94/34/31/595943431.db2.gz XIYAFTWYGLJFDE-OAHLLOKOSA-N 1 1 342.399 1.802 20 10 EDCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cnccn1 ZINC000851841721 595943432 /nfs/dbraw/zinc/94/34/32/595943432.db2.gz XIYAFTWYGLJFDE-OAHLLOKOSA-N 1 1 342.399 1.802 20 10 EDCDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852700023 596229800 /nfs/dbraw/zinc/22/98/00/596229800.db2.gz AWEIYAKUAPJLHT-BEFAXECRSA-N 1 1 333.476 1.661 20 10 EDCDMO O=C(N1Cc2cccc(O)c2C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000871202211 596496996 /nfs/dbraw/zinc/49/69/96/596496996.db2.gz AHIKJSQOTDFVQG-HXUWFJFHSA-N 1 1 338.407 1.871 20 10 EDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000863340119 596556628 /nfs/dbraw/zinc/55/66/28/596556628.db2.gz IDHRCDSKSJUPRU-CYBMUJFWSA-N 1 1 342.461 1.470 20 10 EDCDMO Cc1cc(CC(=O)NCC[N@H+]2CC[C@H](O)C2)c(C)n1-c1ccccc1 ZINC000863834988 596701533 /nfs/dbraw/zinc/70/15/33/596701533.db2.gz PAQIWAOAGXTREO-IBGZPJMESA-N 1 1 341.455 1.819 20 10 EDCDMO O=S1(=O)C[C@@H]2CC[N@H+](Cc3c(O)ccc4ccncc43)C[C@@H]2C1 ZINC000872797279 597074559 /nfs/dbraw/zinc/07/45/59/597074559.db2.gz YIDXLURQWYOMNT-UONOGXRCSA-N 1 1 332.425 1.807 20 10 EDCDMO CN1CC[NH+](C(C)(C)CNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875046523 597258429 /nfs/dbraw/zinc/25/84/29/597258429.db2.gz PTXRZVKVSALBSJ-UHFFFAOYSA-N 1 1 332.448 1.443 20 10 EDCDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2c(C)cccc2O)CC1 ZINC000876678399 597285183 /nfs/dbraw/zinc/28/51/83/597285183.db2.gz MMEPFHYNTSJURF-UHFFFAOYSA-N 1 1 348.443 1.934 20 10 EDCDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876995922 597407456 /nfs/dbraw/zinc/40/74/56/597407456.db2.gz JYBBULDLDITJKC-AWEZNQCLSA-N 1 1 341.402 1.703 20 10 EDCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876995922 597407458 /nfs/dbraw/zinc/40/74/58/597407458.db2.gz JYBBULDLDITJKC-AWEZNQCLSA-N 1 1 341.402 1.703 20 10 EDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1(O)CCOCC1 ZINC000877459958 597519089 /nfs/dbraw/zinc/51/90/89/597519089.db2.gz PFKCOAGPBARDPJ-UHFFFAOYSA-N 1 1 334.460 1.621 20 10 EDCDMO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000877463668 597519419 /nfs/dbraw/zinc/51/94/19/597519419.db2.gz IQYACKRKVVJGBV-KXBFYZLASA-N 1 1 334.460 1.883 20 10 EDCDMO C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000877568513 597537412 /nfs/dbraw/zinc/53/74/12/597537412.db2.gz PXBLHTUBZSLNNV-CALCHBBNSA-N 1 1 347.503 1.535 20 10 EDCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)N1CCO ZINC000877568513 597537413 /nfs/dbraw/zinc/53/74/13/597537413.db2.gz PXBLHTUBZSLNNV-CALCHBBNSA-N 1 1 347.503 1.535 20 10 EDCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)N1CCO ZINC000877568513 597537414 /nfs/dbraw/zinc/53/74/14/597537414.db2.gz PXBLHTUBZSLNNV-CALCHBBNSA-N 1 1 347.503 1.535 20 10 EDCDMO C[C@]12C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@]1(C)C(=O)NC2=O ZINC000877669243 597546386 /nfs/dbraw/zinc/54/63/86/597546386.db2.gz ZSRJAAFXRTWNAS-KDURUIRLSA-N 1 1 343.427 1.008 20 10 EDCDMO COc1cccc(O)c1C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000877680518 597547211 /nfs/dbraw/zinc/54/72/11/597547211.db2.gz ZDHFOBFJJQXCHB-UHFFFAOYSA-N 1 1 326.396 1.987 20 10 EDCDMO CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000883697909 597866268 /nfs/dbraw/zinc/86/62/68/597866268.db2.gz SBRIORUMYWGLFH-WBVHZDCISA-N 1 1 346.475 1.915 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](CF)C3)CC2)cc1 ZINC000880289713 597892643 /nfs/dbraw/zinc/89/26/43/597892643.db2.gz PETTZHHXGDOUIE-HNNXBMFYSA-N 1 1 335.423 1.635 20 10 EDCDMO C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884011227 597967954 /nfs/dbraw/zinc/96/79/54/597967954.db2.gz XNZGJOKGVDVZMZ-NJAPINKUSA-N 1 1 341.459 1.958 20 10 EDCDMO CN(C)c1ccc(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000702368375 709503694 /nfs/dbraw/zinc/50/36/94/709503694.db2.gz APKYYBMSIVFTRT-LJQANCHMSA-N 1 1 340.471 1.828 20 10 EDCDMO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000702368375 709503697 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COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000852186401 596076665 /nfs/dbraw/zinc/07/66/65/596076665.db2.gz FFGAITZGGXQUHL-HUUCEWRRSA-N 1 1 344.459 1.810 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859918967 596224887 /nfs/dbraw/zinc/22/48/87/596224887.db2.gz PAFSOXXUNINNKX-FXAWDEMLSA-N 1 1 345.487 1.805 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)[C@](C)(CO)C1)cc2=O ZINC000852703817 596230465 /nfs/dbraw/zinc/23/04/65/596230465.db2.gz RBFLTDMQQNNZAA-DIFFPNOSSA-N 1 1 348.403 1.062 20 10 EDCDMO CCN(Cc1cc(Br)ccc1O)C[C@@H]1C[NH2+]CCO1 ZINC000852747190 596237731 /nfs/dbraw/zinc/23/77/31/596237731.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 1 1 329.238 1.965 20 10 EDCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CNCCO1 ZINC000852747190 596237730 /nfs/dbraw/zinc/23/77/30/596237730.db2.gz YQYRRTFTTIPCMU-ZDUSSCGKSA-N 1 1 329.238 1.965 20 10 EDCDMO C[C@H](O)C[N@H+]1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](C)C1 ZINC000862351188 596306157 /nfs/dbraw/zinc/30/61/57/596306157.db2.gz LOQYYAJNZPHMTN-STQMWFEESA-N 1 1 327.419 1.918 20 10 EDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000863339885 596556185 /nfs/dbraw/zinc/55/61/85/596556185.db2.gz GMSIIASNBBJFQD-CYBMUJFWSA-N 1 1 349.456 1.702 20 10 EDCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)CN1CCOCC1 ZINC000121026458 596862462 /nfs/dbraw/zinc/86/24/62/596862462.db2.gz ALRPZLUPRDLDAK-KRWDZBQOSA-N 1 1 346.427 1.681 20 10 EDCDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000876524736 597230168 /nfs/dbraw/zinc/23/01/68/597230168.db2.gz XNMSETXGHSCKFH-MRXNPFEDSA-N 1 1 338.473 1.267 20 10 EDCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000876524736 597230172 /nfs/dbraw/zinc/23/01/72/597230172.db2.gz XNMSETXGHSCKFH-MRXNPFEDSA-N 1 1 338.473 1.267 20 10 EDCDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876816319 597350183 /nfs/dbraw/zinc/35/01/83/597350183.db2.gz JPSSNIQHYXHRHK-UHFFFAOYSA-N 1 1 333.476 1.852 20 10 EDCDMO C[C@]12C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668525 597546353 /nfs/dbraw/zinc/54/63/53/597546353.db2.gz QQBWSPJHTQHXJZ-GASCZTMLSA-N 1 1 326.755 1.669 20 10 EDCDMO C[C@]12C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668525 597546354 /nfs/dbraw/zinc/54/63/54/597546354.db2.gz QQBWSPJHTQHXJZ-GASCZTMLSA-N 1 1 326.755 1.669 20 10 EDCDMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883112752 597653703 /nfs/dbraw/zinc/65/37/03/597653703.db2.gz WLIDZRFOALVBEL-ZANVPECISA-N 1 1 334.388 1.478 20 10 EDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000883186301 597680574 /nfs/dbraw/zinc/68/05/74/597680574.db2.gz PDUCIVFGLJFAJC-QGZVFWFLSA-N 1 1 332.448 1.417 20 10 EDCDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883285149 597699733 /nfs/dbraw/zinc/69/97/33/597699733.db2.gz HQOZQWWYHDIXLY-UHFFFAOYSA-N 1 1 347.507 1.578 20 10 EDCDMO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883285149 597699734 /nfs/dbraw/zinc/69/97/34/597699734.db2.gz HQOZQWWYHDIXLY-UHFFFAOYSA-N 1 1 347.507 1.578 20 10 EDCDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883285149 597699736 /nfs/dbraw/zinc/69/97/36/597699736.db2.gz HQOZQWWYHDIXLY-UHFFFAOYSA-N 1 1 347.507 1.578 20 10 EDCDMO COC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCOC1 ZINC000883291109 597702200 /nfs/dbraw/zinc/70/22/00/597702200.db2.gz SMMANIHRWJWBBX-AZUAARDMSA-N 1 1 347.503 1.970 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880132929 597850772 /nfs/dbraw/zinc/85/07/72/597850772.db2.gz RCXLMWQNCRXBTL-RTBURBONSA-N 1 1 344.503 1.880 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000880132929 597850774 /nfs/dbraw/zinc/85/07/74/597850774.db2.gz RCXLMWQNCRXBTL-RTBURBONSA-N 1 1 344.503 1.880 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000880132929 597850775 /nfs/dbraw/zinc/85/07/75/597850775.db2.gz RCXLMWQNCRXBTL-RTBURBONSA-N 1 1 344.503 1.880 20 10 EDCDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153030288 695486936 /nfs/dbraw/zinc/48/69/36/695486936.db2.gz WFTPTCYXLVDUGV-AWEZNQCLSA-N 1 1 348.447 1.189 20 10 EDCDMO COc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000918745630 697205447 /nfs/dbraw/zinc/20/54/47/697205447.db2.gz PPDXJVJTWCUMJJ-OAHLLOKOSA-N 1 1 349.431 1.453 20 10 EDCDMO C[C@@H](CNC(=O)NCc1c(O)cccc1F)CN1CC[NH+](C)CC1 ZINC000920451773 697432368 /nfs/dbraw/zinc/43/23/68/697432368.db2.gz PPSXSEGLLJLJII-ZDUSSCGKSA-N 1 1 338.427 1.214 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000093013929 529780303 /nfs/dbraw/zinc/78/03/03/529780303.db2.gz UNXFMRLVOYINCR-SFHVURJKSA-N 1 1 331.460 1.966 20 10 EDCDMO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1F ZINC000372397179 250219973 /nfs/dbraw/zinc/21/99/73/250219973.db2.gz BDEIQSMTWKJAQK-SFHVURJKSA-N 1 1 348.466 1.678 20 10 EDCDMO CC(C)(O)C[N@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372637712 250223071 /nfs/dbraw/zinc/22/30/71/250223071.db2.gz IGMFKQFFYMJHOT-UHFFFAOYSA-N 1 1 347.503 1.802 20 10 EDCDMO Cc1nccnc1N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000374195788 250255640 /nfs/dbraw/zinc/25/56/40/250255640.db2.gz VOCQFBCCTDZVCA-UHFFFAOYSA-N 1 1 328.372 1.542 20 10 EDCDMO COc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000093014701 533476721 /nfs/dbraw/zinc/47/67/21/533476721.db2.gz SMUJXGGZYCOKMP-HNNXBMFYSA-N 1 1 334.416 1.614 20 10 EDCDMO COc1cc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000284434971 295027178 /nfs/dbraw/zinc/02/71/78/295027178.db2.gz DLJPTBCHYPYKFK-ZIAGYGMSSA-N 1 1 337.376 1.521 20 10 EDCDMO O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000105179609 441241260 /nfs/dbraw/zinc/24/12/60/441241260.db2.gz HNTQLJBDILIWCR-UHFFFAOYSA-N 1 1 344.459 1.513 20 10 EDCDMO COc1ccc(N2CCC([N@@H+](C)CCC(=O)NC(N)=O)CC2)cc1 ZINC000072801205 441261080 /nfs/dbraw/zinc/26/10/80/441261080.db2.gz NFZWQLITXVQAPI-UHFFFAOYSA-N 1 1 334.420 1.181 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccco1)cc2=O ZINC000032932805 441579868 /nfs/dbraw/zinc/57/98/68/441579868.db2.gz SGGTYRGXVICJMT-UHFFFAOYSA-N 1 1 330.344 1.837 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1ccco1)cc2=O ZINC000032932805 441579869 /nfs/dbraw/zinc/57/98/69/441579869.db2.gz SGGTYRGXVICJMT-UHFFFAOYSA-N 1 1 330.344 1.837 20 10 EDCDMO C[C@@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)N1CC[NH+](C)CC1 ZINC000378554671 447441078 /nfs/dbraw/zinc/44/10/78/447441078.db2.gz YKNVFHUSSWFBPO-INIZCTEOSA-N 1 1 342.487 1.614 20 10 EDCDMO CC[N@@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000177153508 442305865 /nfs/dbraw/zinc/30/58/65/442305865.db2.gz HYCFOZQAPCPOGS-WMZOPIPTSA-N 1 1 348.443 1.621 20 10 EDCDMO CC[N@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000177153508 442305868 /nfs/dbraw/zinc/30/58/68/442305868.db2.gz HYCFOZQAPCPOGS-WMZOPIPTSA-N 1 1 348.443 1.621 20 10 EDCDMO COCCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179888744 442515388 /nfs/dbraw/zinc/51/53/88/442515388.db2.gz QNGGKBFMWNLKHA-CQSZACIVSA-N 1 1 331.409 1.557 20 10 EDCDMO COCCC[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179888744 442515391 /nfs/dbraw/zinc/51/53/91/442515391.db2.gz QNGGKBFMWNLKHA-CQSZACIVSA-N 1 1 331.409 1.557 20 10 EDCDMO Cc1cc(N2CCC(NC(=O)c3cccc(O)c3O)CC2)nc(C)[nH+]1 ZINC000187169499 442658529 /nfs/dbraw/zinc/65/85/29/442658529.db2.gz DERREBPAVRRQFH-UHFFFAOYSA-N 1 1 342.399 1.903 20 10 EDCDMO COCCC[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000266517013 443152779 /nfs/dbraw/zinc/15/27/79/443152779.db2.gz NEAKGKZIFYCZFU-UHFFFAOYSA-N 1 1 336.480 1.862 20 10 EDCDMO COc1c(O)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)ccc1[N+](=O)[O-] ZINC000278494588 443346974 /nfs/dbraw/zinc/34/69/74/443346974.db2.gz MAHLMJURWJIOPV-UHFFFAOYSA-N 1 1 337.292 1.204 20 10 EDCDMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278539803 443357596 /nfs/dbraw/zinc/35/75/96/443357596.db2.gz WYMARTVRGMJFQS-LLVKDONJSA-N 1 1 339.348 1.629 20 10 EDCDMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279352733 443563408 /nfs/dbraw/zinc/56/34/08/443563408.db2.gz GHRIYXYCVYBOLS-CQSZACIVSA-N 1 1 340.445 1.401 20 10 EDCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c1 ZINC000275644683 443635355 /nfs/dbraw/zinc/63/53/55/443635355.db2.gz KGXWKWPAYDSAFZ-CQSZACIVSA-N 1 1 343.431 1.479 20 10 EDCDMO O=S1(=O)CC[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000280027548 443658859 /nfs/dbraw/zinc/65/88/59/443658859.db2.gz NBOZURQXMZRURF-GDBMZVCRSA-N 1 1 339.457 1.808 20 10 EDCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000298719688 443848450 /nfs/dbraw/zinc/84/84/50/443848450.db2.gz OJPJCOQZFZMXCF-GASCZTMLSA-N 1 1 347.459 1.682 20 10 EDCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000298719688 443848454 /nfs/dbraw/zinc/84/84/54/443848454.db2.gz OJPJCOQZFZMXCF-GASCZTMLSA-N 1 1 347.459 1.682 20 10 EDCDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)ccc1N(C)C ZINC000293517113 444040428 /nfs/dbraw/zinc/04/04/28/444040428.db2.gz ORGIHPOIWQBLLY-MRXNPFEDSA-N 1 1 339.505 1.965 20 10 EDCDMO C[N@@H+](Cc1cccc(F)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295161636 444167359 /nfs/dbraw/zinc/16/73/59/444167359.db2.gz SGNLYRBOBANYMM-LBPRGKRZSA-N 1 1 328.384 1.849 20 10 EDCDMO C[N@H+](Cc1cccc(F)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295161636 444167363 /nfs/dbraw/zinc/16/73/63/444167363.db2.gz SGNLYRBOBANYMM-LBPRGKRZSA-N 1 1 328.384 1.849 20 10 EDCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000363148341 445696502 /nfs/dbraw/zinc/69/65/02/445696502.db2.gz JTHLFCLFORGFST-JKSUJKDBSA-N 1 1 333.432 1.787 20 10 EDCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000363148341 445696505 /nfs/dbraw/zinc/69/65/05/445696505.db2.gz JTHLFCLFORGFST-JKSUJKDBSA-N 1 1 333.432 1.787 20 10 EDCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000364632763 445939713 /nfs/dbraw/zinc/93/97/13/445939713.db2.gz UHFPJRQGVMUMPJ-QGZVFWFLSA-N 1 1 330.432 1.465 20 10 EDCDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1N1CCOCC1 ZINC000367479945 446552091 /nfs/dbraw/zinc/55/20/91/446552091.db2.gz ZVQZNPVTDZBEEB-ZFWWWQNUSA-N 1 1 334.416 1.664 20 10 EDCDMO COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H](C)[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000377627933 447255848 /nfs/dbraw/zinc/25/58/48/447255848.db2.gz PSTDNFRQHNASCZ-JKIFEVAISA-N 1 1 348.443 1.889 20 10 EDCDMO COC(=O)CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000299186619 523062992 /nfs/dbraw/zinc/06/29/92/523062992.db2.gz CGIADAPICBYUOY-UHFFFAOYSA-N 1 1 335.448 1.642 20 10 EDCDMO CCCOc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1 ZINC000093583838 528661460 /nfs/dbraw/zinc/66/14/60/528661460.db2.gz NCKXXWHXEWIWMH-MRXNPFEDSA-N 1 1 338.448 1.306 20 10 EDCDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237026858 535429979 /nfs/dbraw/zinc/42/99/79/535429979.db2.gz FOEQEZIHDPEYIW-UHFFFAOYSA-N 1 1 346.475 1.214 20 10 EDCDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237026858 535429982 /nfs/dbraw/zinc/42/99/82/535429982.db2.gz FOEQEZIHDPEYIW-UHFFFAOYSA-N 1 1 346.475 1.214 20 10 EDCDMO O=C(CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOCC1 ZINC000731844443 578681259 /nfs/dbraw/zinc/68/12/59/578681259.db2.gz HUOQIKCKCHHYKO-KRWDZBQOSA-N 1 1 348.443 1.622 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]([C@H](C)O)C1)cc2=O ZINC000760875213 580040466 /nfs/dbraw/zinc/04/04/66/580040466.db2.gz MNTMCPLMHCMPMH-RYUDHWBXSA-N 1 1 348.403 1.204 20 10 EDCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000761197412 580051143 /nfs/dbraw/zinc/05/11/43/580051143.db2.gz DMOSGMHCOSLZIB-NSHDSACASA-N 1 1 334.825 1.307 20 10 EDCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1O ZINC000761197412 580051144 /nfs/dbraw/zinc/05/11/44/580051144.db2.gz DMOSGMHCOSLZIB-NSHDSACASA-N 1 1 334.825 1.307 20 10 EDCDMO C[NH+]1CCN(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000765765146 580150866 /nfs/dbraw/zinc/15/08/66/580150866.db2.gz OGWMRWJINYCEPP-UHFFFAOYSA-N 1 1 342.237 1.018 20 10 EDCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000772598905 580316512 /nfs/dbraw/zinc/31/65/12/580316512.db2.gz IZTOAQSOICYTDI-OAHLLOKOSA-N 1 1 325.478 1.514 20 10 EDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000772602188 580316615 /nfs/dbraw/zinc/31/66/15/580316615.db2.gz WXNIUIDFZURTKY-GFCCVEGCSA-N 1 1 328.434 1.162 20 10 EDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000774880133 580376338 /nfs/dbraw/zinc/37/63/38/580376338.db2.gz GVWPYHHYASIBCS-ZDUSSCGKSA-N 1 1 349.387 1.896 20 10 EDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000774880133 580376339 /nfs/dbraw/zinc/37/63/39/580376339.db2.gz GVWPYHHYASIBCS-ZDUSSCGKSA-N 1 1 349.387 1.896 20 10 EDCDMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000775403272 580390202 /nfs/dbraw/zinc/39/02/02/580390202.db2.gz IRTYWNQBGVJOKI-INIZCTEOSA-N 1 1 332.492 1.957 20 10 EDCDMO CN1CCN(c2ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000790618507 580773989 /nfs/dbraw/zinc/77/39/89/580773989.db2.gz IJHMNAGMTHALSF-MJGOQNOKSA-N 1 1 349.519 1.686 20 10 EDCDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)C[C@H](C)O2 ZINC000797418376 580975244 /nfs/dbraw/zinc/97/52/44/580975244.db2.gz RZZCQGYPNKNSDE-OESLAJAZSA-N 1 1 349.427 1.976 20 10 EDCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000891972446 590716901 /nfs/dbraw/zinc/71/69/01/590716901.db2.gz HKRJLUVHSMKLTI-QGZVFWFLSA-N 1 1 345.491 1.380 20 10 EDCDMO CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH]nn2)[NH+](C)C)cc1 ZINC000891246630 591016332 /nfs/dbraw/zinc/01/63/32/591016332.db2.gz CPKHRWWZXNWLAT-MRXNPFEDSA-N 1 1 330.436 1.222 20 10 EDCDMO CN(C)c1ccc([C@@H](CNC(=O)CCc2cnn[nH]2)[NH+](C)C)cc1 ZINC000891246630 591016334 /nfs/dbraw/zinc/01/63/34/591016334.db2.gz CPKHRWWZXNWLAT-MRXNPFEDSA-N 1 1 330.436 1.222 20 10 EDCDMO Cc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n[nH]1 ZINC000891249846 591018688 /nfs/dbraw/zinc/01/86/88/591018688.db2.gz UDINDKJZCIDETD-HNNXBMFYSA-N 1 1 330.436 1.141 20 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ZINC000840185949 593364145 /nfs/dbraw/zinc/36/41/45/593364145.db2.gz JIHOWJVRXCOPSP-SMDDNHRTSA-N 1 1 339.413 1.156 20 10 EDCDMO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000806662256 593462895 /nfs/dbraw/zinc/46/28/95/593462895.db2.gz BCSRQSLKDJORBF-GWCFXTLKSA-N 1 1 340.445 1.697 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000817274088 593586912 /nfs/dbraw/zinc/58/69/12/593586912.db2.gz BCIYXXXRTRSAIZ-UHFFFAOYSA-N 1 1 346.475 1.359 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831169521 594573777 /nfs/dbraw/zinc/57/37/77/594573777.db2.gz AEOCBLMAUXBLLV-QGZVFWFLSA-N 1 1 341.402 1.413 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831169521 594573778 /nfs/dbraw/zinc/57/37/78/594573778.db2.gz AEOCBLMAUXBLLV-QGZVFWFLSA-N 1 1 341.402 1.413 20 10 EDCDMO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000841715870 594942494 /nfs/dbraw/zinc/94/24/94/594942494.db2.gz FHMCWYNUEGTCAM-CABCVRRESA-N 1 1 334.464 1.349 20 10 EDCDMO CCC[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccccc1O ZINC000104682361 595056097 /nfs/dbraw/zinc/05/60/97/595056097.db2.gz ZQDXEWDVVDBEML-UHFFFAOYSA-N 1 1 347.459 1.733 20 10 EDCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835028667 595247835 /nfs/dbraw/zinc/24/78/35/595247835.db2.gz ORHVNQIBEYPCGE-AATOQMJSSA-N 1 1 337.489 1.779 20 10 EDCDMO CC(=O)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860425285 595681414 /nfs/dbraw/zinc/68/14/14/595681414.db2.gz CSRFBVZPIVQUHS-INIZCTEOSA-N 1 1 329.396 1.990 20 10 EDCDMO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858434618 595794188 /nfs/dbraw/zinc/79/41/88/595794188.db2.gz LGILIRGYPSEXME-CJNGLKHVSA-N 1 1 348.422 1.780 20 10 EDCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O ZINC000858488928 595808050 /nfs/dbraw/zinc/80/80/50/595808050.db2.gz NWEYELNFVDBKEA-WCQYABFASA-N 1 1 342.378 1.899 20 10 EDCDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(F)cc1O ZINC000858488927 595808236 /nfs/dbraw/zinc/80/82/36/595808236.db2.gz NWEYELNFVDBKEA-DGCLKSJQSA-N 1 1 342.378 1.899 20 10 EDCDMO CO[C@]1(CO)CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852411039 596150417 /nfs/dbraw/zinc/15/04/17/596150417.db2.gz HIQWWNDDOBFOSG-LJQANCHMSA-N 1 1 349.475 1.184 20 10 EDCDMO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1CCO ZINC000852456850 596170550 /nfs/dbraw/zinc/17/05/50/596170550.db2.gz LXKFJDMBNFZDGC-YJBOKZPZSA-N 1 1 333.476 1.852 20 10 EDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000852669121 596224189 /nfs/dbraw/zinc/22/41/89/596224189.db2.gz MMWJPEZVWKGCSI-DLBZAZTESA-N 1 1 331.460 1.679 20 10 EDCDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2c(C)cccc2O)C1 ZINC000876677739 597285221 /nfs/dbraw/zinc/28/52/21/597285221.db2.gz CLGAGPIOJXQKBC-OAHLLOKOSA-N 1 1 348.443 1.934 20 10 EDCDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C(N)=O)C1 ZINC000877436335 597514929 /nfs/dbraw/zinc/51/49/29/597514929.db2.gz FMYRTLPUVQAVAH-KSSFIOAISA-N 1 1 331.460 1.734 20 10 EDCDMO COc1cc(Br)cc(CN2CC[N@H+](C)C[C@@H]2CO)c1O ZINC000877644953 597544100 /nfs/dbraw/zinc/54/41/00/597544100.db2.gz WTVLCHAWVXZVGK-GFCCVEGCSA-N 1 1 345.237 1.272 20 10 EDCDMO COc1cc(Br)cc(CN2CC[N@@H+](C)C[C@@H]2CO)c1O ZINC000877644953 597544101 /nfs/dbraw/zinc/54/41/01/597544101.db2.gz WTVLCHAWVXZVGK-GFCCVEGCSA-N 1 1 345.237 1.272 20 10 EDCDMO CC(C)[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000879601983 597653564 /nfs/dbraw/zinc/65/35/64/597653564.db2.gz ZWYQIFADTRMRLU-GOSISDBHSA-N 1 1 332.492 1.641 20 10 EDCDMO [NH3+]Cc1ocnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000884194293 598022396 /nfs/dbraw/zinc/02/23/96/598022396.db2.gz FPWLUOSEMQKEGP-UHFFFAOYSA-N 1 1 334.351 1.039 20 10 EDCDMO Cc1cc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)ccc1N(C)C ZINC000881378525 598136315 /nfs/dbraw/zinc/13/63/15/598136315.db2.gz PINSSDRBQGKETE-QGZVFWFLSA-N 1 1 329.448 1.658 20 10 EDCDMO Cc1cc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)ccc1N(C)C ZINC000881378525 598136316 /nfs/dbraw/zinc/13/63/16/598136316.db2.gz PINSSDRBQGKETE-QGZVFWFLSA-N 1 1 329.448 1.658 20 10 EDCDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000914400221 695388490 /nfs/dbraw/zinc/38/84/90/695388490.db2.gz FQNCTCWCHCBFMK-PBHICJAKSA-N 1 1 332.448 1.588 20 10 EDCDMO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)cc1 ZINC001031464672 697144464 /nfs/dbraw/zinc/14/44/64/697144464.db2.gz XAKOUZYMLCBHHH-GFCCVEGCSA-N 1 1 345.403 1.690 20 10 EDCDMO C[C@@H](NC(=O)c1csc(C[NH3+])n1)c1ccc(N2CCOCC2)cc1 ZINC000237591642 698085867 /nfs/dbraw/zinc/08/58/67/698085867.db2.gz KOEZNOJSMOXRSB-GFCCVEGCSA-N 1 1 346.456 1.929 20 10 EDCDMO CCOc1cccc(C[NH+]2CCN(CC(=O)N[C@@H](C)CC)CC2)c1O ZINC000129097821 237198510 /nfs/dbraw/zinc/19/85/10/237198510.db2.gz UPZMQAZEMXXJQM-HNNXBMFYSA-N 1 1 349.475 1.823 20 10 EDCDMO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218837 /nfs/dbraw/zinc/21/88/37/250218837.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 1 1 346.519 1.589 20 10 EDCDMO C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218841 /nfs/dbraw/zinc/21/88/41/250218841.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 1 1 346.519 1.589 20 10 EDCDMO C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372416649 250218844 /nfs/dbraw/zinc/21/88/44/250218844.db2.gz PXPBUXQKAFITBB-FXAWDEMLSA-N 1 1 346.519 1.589 20 10 EDCDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000375012580 250277050 /nfs/dbraw/zinc/27/70/50/250277050.db2.gz LXEYNENYVPYIRC-UHFFFAOYSA-N 1 1 329.400 1.926 20 10 EDCDMO Cn1nncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374217407 250256479 /nfs/dbraw/zinc/25/64/79/250256479.db2.gz OEUWNURJAWGLFK-CYBMUJFWSA-N 1 1 349.822 1.569 20 10 EDCDMO Cn1nncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000374217407 250256482 /nfs/dbraw/zinc/25/64/82/250256482.db2.gz OEUWNURJAWGLFK-CYBMUJFWSA-N 1 1 349.822 1.569 20 10 EDCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)C[C@H]1C ZINC000372445221 278398183 /nfs/dbraw/zinc/39/81/83/278398183.db2.gz FEYOEZXYVBRLPP-HUUCEWRRSA-N 1 1 346.475 1.275 20 10 EDCDMO CCS(=O)(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000064942914 441397497 /nfs/dbraw/zinc/39/74/97/441397497.db2.gz GFZKTLLBYFOGLA-UHFFFAOYSA-N 1 1 341.477 1.147 20 10 EDCDMO CCCOc1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)c(O)c1 ZINC000191700264 442492037 /nfs/dbraw/zinc/49/20/37/442492037.db2.gz OBIJIEFHNBVQLA-UHFFFAOYSA-N 1 1 336.432 1.862 20 10 EDCDMO CCCOc1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)c(O)c1 ZINC000191700264 442492041 /nfs/dbraw/zinc/49/20/41/442492041.db2.gz OBIJIEFHNBVQLA-UHFFFAOYSA-N 1 1 336.432 1.862 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)CC2)cc1 ZINC000183162428 442891991 /nfs/dbraw/zinc/89/19/91/442891991.db2.gz BNRQRNUKIGCKCM-JKSUJKDBSA-N 1 1 347.459 1.047 20 10 EDCDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(O)c1O ZINC000189920423 443029394 /nfs/dbraw/zinc/02/93/94/443029394.db2.gz ZAVWOMPKCJWTRV-HNNXBMFYSA-N 1 1 342.395 1.594 20 10 EDCDMO CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000236887813 443150938 /nfs/dbraw/zinc/15/09/38/443150938.db2.gz QUCXRGJRHQPXDH-INIZCTEOSA-N 1 1 336.455 1.711 20 10 EDCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278549442 443361138 /nfs/dbraw/zinc/36/11/38/443361138.db2.gz VRRWGRQDWAPYNX-CYBMUJFWSA-N 1 1 334.416 1.694 20 10 EDCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000278687066 443403234 /nfs/dbraw/zinc/40/32/34/443403234.db2.gz OWDBMTGYZOFELF-HUUCEWRRSA-N 1 1 334.464 1.349 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCCCCO)cc2=O ZINC000278819371 443452075 /nfs/dbraw/zinc/45/20/75/443452075.db2.gz HJWOSNSHGPPWGP-UHFFFAOYSA-N 1 1 336.392 1.206 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000267681230 443539342 /nfs/dbraw/zinc/53/93/42/443539342.db2.gz QQWDSESPTBXBAQ-KRWDZBQOSA-N 1 1 333.432 1.065 20 10 EDCDMO C[C@H]1CN=C(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)S1 ZINC000271212097 443495829 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CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824905900 594094733 /nfs/dbraw/zinc/09/47/33/594094733.db2.gz HUVGTHAGAFNYKO-LBPRGKRZSA-N 1 1 332.853 1.868 20 10 EDCDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000823576737 594218631 /nfs/dbraw/zinc/21/86/31/594218631.db2.gz WWXZGAGXQBYBQX-AWEZNQCLSA-N 1 1 334.416 1.674 20 10 EDCDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000823576737 594218632 /nfs/dbraw/zinc/21/86/32/594218632.db2.gz WWXZGAGXQBYBQX-AWEZNQCLSA-N 1 1 334.416 1.674 20 10 EDCDMO COC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+](C)C1 ZINC000840958663 594832958 /nfs/dbraw/zinc/83/29/58/594832958.db2.gz QZJQBFMDZDLWGJ-RTRPANQVSA-N 1 1 331.460 1.802 20 10 EDCDMO COC(=O)[C@H]1CN(C)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840958663 594832960 /nfs/dbraw/zinc/83/29/60/594832960.db2.gz QZJQBFMDZDLWGJ-RTRPANQVSA-N 1 1 331.460 1.802 20 10 EDCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840958663 594832961 /nfs/dbraw/zinc/83/29/61/594832961.db2.gz QZJQBFMDZDLWGJ-RTRPANQVSA-N 1 1 331.460 1.802 20 10 EDCDMO Nc1ccc(Cc2nc(C(=O)NCC(F)(F)C[NH3+])cs2)cc1 ZINC000841849872 594965098 /nfs/dbraw/zinc/96/50/98/594965098.db2.gz NYBGTJGEYYDXGO-UHFFFAOYSA-N 1 1 326.372 1.640 20 10 EDCDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000841892694 594975599 /nfs/dbraw/zinc/97/55/99/594975599.db2.gz QXLBAZFLXAOMME-OAHLLOKOSA-N 1 1 337.395 1.145 20 10 EDCDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000841892694 594975601 /nfs/dbraw/zinc/97/56/01/594975601.db2.gz QXLBAZFLXAOMME-OAHLLOKOSA-N 1 1 337.395 1.145 20 10 EDCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843434042 595109967 /nfs/dbraw/zinc/10/99/67/595109967.db2.gz QGEHHKLRZNVREA-PWSUYJOCSA-N 1 1 329.780 1.410 20 10 EDCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000834889858 595237221 /nfs/dbraw/zinc/23/72/21/595237221.db2.gz GPPWVRFWZAYVDQ-AEGPPILISA-N 1 1 334.416 1.693 20 10 EDCDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000106505907 595311877 /nfs/dbraw/zinc/31/18/77/595311877.db2.gz DHMIWWBTAIXFNV-HNNXBMFYSA-N 1 1 333.480 1.188 20 10 EDCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2cc(C)on2)cc1 ZINC000844400072 595337531 /nfs/dbraw/zinc/33/75/31/595337531.db2.gz VCJWUZAFKKQZHV-UHFFFAOYSA-N 1 1 332.404 1.998 20 10 EDCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2cc(C)on2)cc1 ZINC000844400072 595337534 /nfs/dbraw/zinc/33/75/34/595337534.db2.gz VCJWUZAFKKQZHV-UHFFFAOYSA-N 1 1 332.404 1.998 20 10 EDCDMO CN(C)c1[nH+]cc(CNC(=O)NCc2cc(Cl)ccc2O)n1C ZINC000845025616 595428419 /nfs/dbraw/zinc/42/84/19/595428419.db2.gz MFKFDIGTRNUUPZ-UHFFFAOYSA-N 1 1 337.811 1.845 20 10 EDCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)Cn3cncn3)cc2F)CC1 ZINC000850433329 595832877 /nfs/dbraw/zinc/83/28/77/595832877.db2.gz LGUWECDOIMUVFQ-HNNXBMFYSA-N 1 1 346.454 1.737 20 10 EDCDMO COc1ccc(N2CCC[N@@H+](CCN3C(=O)CN(C)C3=O)CC2)cc1 ZINC000851733400 595901462 /nfs/dbraw/zinc/90/14/62/595901462.db2.gz UKKFMIBGLOQLFE-UHFFFAOYSA-N 1 1 346.431 1.101 20 10 EDCDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000862279337 596294688 /nfs/dbraw/zinc/29/46/88/596294688.db2.gz OMBDUWWFCXYZQW-UHFFFAOYSA-N 1 1 335.429 1.508 20 10 EDCDMO CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1CCO ZINC000877459019 597519164 /nfs/dbraw/zinc/51/91/64/597519164.db2.gz DXUFRGPUHARYID-UHFFFAOYSA-N 1 1 347.503 1.536 20 10 EDCDMO CC1(C)C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1CCO ZINC000877459019 597519166 /nfs/dbraw/zinc/51/91/66/597519166.db2.gz DXUFRGPUHARYID-UHFFFAOYSA-N 1 1 347.503 1.536 20 10 EDCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1CCO ZINC000877459019 597519167 /nfs/dbraw/zinc/51/91/67/597519167.db2.gz DXUFRGPUHARYID-UHFFFAOYSA-N 1 1 347.503 1.536 20 10 EDCDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877471899 597521194 /nfs/dbraw/zinc/52/11/94/597521194.db2.gz DPBYQBGESPBZIH-SFHVURJKSA-N 1 1 343.471 1.844 20 10 EDCDMO C[C@]12C[NH+](Cc3c(O)ccc(Cl)c3F)C[C@]1(C)C(=O)NC2=O ZINC000877667974 597546301 /nfs/dbraw/zinc/54/63/01/597546301.db2.gz LASLJTOUJDJFAJ-HUUCEWRRSA-N 1 1 326.755 1.669 20 10 EDCDMO C[N@H+](CC(=O)Nc1ccccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000877922817 597564326 /nfs/dbraw/zinc/56/43/26/597564326.db2.gz VJWPUVWWUGWCGN-UHFFFAOYSA-N 1 1 340.427 1.989 20 10 EDCDMO C[N@@H+](CC(=O)Nc1ccccn1)Cc1ccc(N2CCOCC2)cc1 ZINC000877922817 597564327 /nfs/dbraw/zinc/56/43/27/597564327.db2.gz VJWPUVWWUGWCGN-UHFFFAOYSA-N 1 1 340.427 1.989 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC000879962695 597786714 /nfs/dbraw/zinc/78/67/14/597786714.db2.gz QPTFUZSTGIVTBZ-INIZCTEOSA-N 1 1 333.476 1.852 20 10 EDCDMO CCOc1cccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1O ZINC000154084988 696685497 /nfs/dbraw/zinc/68/54/97/696685497.db2.gz QUENBUCUECPSGR-ZDUSSCGKSA-N 1 1 328.434 1.305 20 10 EDCDMO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1C ZINC000995003924 699891079 /nfs/dbraw/zinc/89/10/79/699891079.db2.gz IDQLSUDTPVMVJJ-HUUCEWRRSA-N 1 1 343.431 1.810 20 10 EDCDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922619498 704154771 /nfs/dbraw/zinc/15/47/71/704154771.db2.gz HDVAJHKDZNLDOL-UHFFFAOYSA-N 1 1 329.343 1.808 20 10 EDCDMO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)nn1 ZINC000922141912 709859079 /nfs/dbraw/zinc/85/90/79/709859079.db2.gz UBUCCYZHNCPYSS-SJLPKXTDSA-N 1 1 344.415 1.479 20 10 EDCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000372403609 250220044 /nfs/dbraw/zinc/22/00/44/250220044.db2.gz FCRPGXGZLWHONF-CYBMUJFWSA-N 1 1 328.434 1.305 20 10 EDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C3CC3)C1)cc2=O ZINC000372856104 250227496 /nfs/dbraw/zinc/22/74/96/250227496.db2.gz HQYBWUNWJRRIRG-GFCCVEGCSA-N 1 1 330.388 1.844 20 10 EDCDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000373218811 295004219 /nfs/dbraw/zinc/00/42/19/295004219.db2.gz VDRKTGHWDIKESV-JSGCOSHPSA-N 1 1 334.416 1.900 20 10 EDCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)cn1 ZINC000378381216 447424216 /nfs/dbraw/zinc/42/42/16/447424216.db2.gz WQRAGWDQDMBBNR-LSDHHAIUSA-N 1 1 345.399 1.943 20 10 EDCDMO CCOCCNC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000084680235 441413071 /nfs/dbraw/zinc/41/30/71/441413071.db2.gz XXIABJQXUZKRRK-UHFFFAOYSA-N 1 1 335.448 1.360 20 10 EDCDMO CCOCCNC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000084680235 441413074 /nfs/dbraw/zinc/41/30/74/441413074.db2.gz XXIABJQXUZKRRK-UHFFFAOYSA-N 1 1 335.448 1.360 20 10 EDCDMO COc1ccc(N2CCC[N@@H+](CCN3C(=O)CCC3=O)CC2)cc1 ZINC000052466898 441452683 /nfs/dbraw/zinc/45/26/83/441452683.db2.gz PFRXTDIBHDSVAB-UHFFFAOYSA-N 1 1 331.416 1.356 20 10 EDCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1 ZINC000092071993 441771863 /nfs/dbraw/zinc/77/18/63/441771863.db2.gz RMHYUKISYGEOIK-HNNXBMFYSA-N 1 1 340.445 1.447 20 10 EDCDMO C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000121390654 442211229 /nfs/dbraw/zinc/21/12/29/442211229.db2.gz TYRDDZHSZHSXID-HNNXBMFYSA-N 1 1 334.464 1.520 20 10 EDCDMO Cc1cccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1O ZINC000179676320 442488807 /nfs/dbraw/zinc/48/88/07/442488807.db2.gz XRWQQDRHCOCJRM-UHFFFAOYSA-N 1 1 331.460 1.831 20 10 EDCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000179719057 442494811 /nfs/dbraw/zinc/49/48/11/442494811.db2.gz PFVAEGOMZFCSDF-HNNXBMFYSA-N 1 1 326.462 1.994 20 10 EDCDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(C)c2O)CC1 ZINC000180012935 442529071 /nfs/dbraw/zinc/52/90/71/442529071.db2.gz GMCCTKCGMWFXTR-UHFFFAOYSA-N 1 1 348.443 1.934 20 10 EDCDMO CN(C)c1ccc(C[N@@H+](CCCN2C(=O)CNC2=O)C2CC2)cc1 ZINC000264259229 443256797 /nfs/dbraw/zinc/25/67/97/443256797.db2.gz HQUHBUWHSCJBSI-UHFFFAOYSA-N 1 1 330.432 1.659 20 10 EDCDMO C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2O)c2ccccc2)CC1 ZINC000264222163 443255599 /nfs/dbraw/zinc/25/55/99/443255599.db2.gz KDXSJEOLYZTUSP-LJQANCHMSA-N 1 1 339.439 1.997 20 10 EDCDMO CC[C@H](C)[C@@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000271047026 443488162 /nfs/dbraw/zinc/48/81/62/443488162.db2.gz PGDYKAVGHHWKHH-MAUKXSAKSA-N 1 1 349.475 1.340 20 10 EDCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000271083022 443489518 /nfs/dbraw/zinc/48/95/18/443489518.db2.gz JMVXXCNBUDKIJV-GFCCVEGCSA-N 1 1 341.429 1.890 20 10 EDCDMO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000273536122 443579069 /nfs/dbraw/zinc/57/90/69/443579069.db2.gz XKZNLPXBGWHSIF-AAEUAGOBSA-N 1 1 335.404 1.633 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000272430051 443623433 /nfs/dbraw/zinc/62/34/33/443623433.db2.gz YRPJHEPBMNXADW-UHFFFAOYSA-N 1 1 333.476 1.996 20 10 EDCDMO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(F)cc1O ZINC000281153435 443832485 /nfs/dbraw/zinc/83/24/85/443832485.db2.gz OPQJKAKJZNCRDS-WDEREUQCSA-N 1 1 332.379 1.740 20 10 EDCDMO CCCNC(=O)NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298744471 443855947 /nfs/dbraw/zinc/85/59/47/443855947.db2.gz YPPCTFXLHQFJRR-UHFFFAOYSA-N 1 1 332.448 1.953 20 10 EDCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCC[N@H+]1C 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COc1ccc(N2CC[NH+](CCNC(=O)NCC3CCC3)CC2)cc1 ZINC000299515108 444067864 /nfs/dbraw/zinc/06/78/64/444067864.db2.gz VIGDEYQJIBSHEA-UHFFFAOYSA-N 1 1 346.475 1.917 20 10 EDCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000299499915 444064150 /nfs/dbraw/zinc/06/41/50/444064150.db2.gz MKFJBKYIAFDSLQ-HOTGVXAUSA-N 1 1 346.475 1.772 20 10 EDCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293593003 444064235 /nfs/dbraw/zinc/06/42/35/444064235.db2.gz IRHKCZQFFUCFPC-OAHLLOKOSA-N 1 1 332.404 1.712 20 10 EDCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC000289309408 444103782 /nfs/dbraw/zinc/10/37/82/444103782.db2.gz DNWOSQWDCDRZIN-ZDUSSCGKSA-N 1 1 342.461 1.504 20 10 EDCDMO COc1c(O)c(C[N@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000278234176 444120727 /nfs/dbraw/zinc/12/07/27/444120727.db2.gz NCACIATYZVKAJQ-LBPRGKRZSA-N 1 1 326.349 1.282 20 10 EDCDMO C[N@@H+](C[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000289428378 444140529 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COc1cccc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)c1O ZINC000377624643 447252956 /nfs/dbraw/zinc/25/29/56/447252956.db2.gz LIJHUPIILGGQIR-MRXNPFEDSA-N 1 1 333.476 1.860 20 10 EDCDMO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000129119041 529158536 /nfs/dbraw/zinc/15/85/36/529158536.db2.gz LNDKECAFFMJJKS-AWEZNQCLSA-N 1 1 335.448 1.433 20 10 EDCDMO CCn1ccnc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000738430330 578528207 /nfs/dbraw/zinc/52/82/07/578528207.db2.gz OKFNGCICJPPBSY-UHFFFAOYSA-N 1 1 348.472 1.428 20 10 EDCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2Cn2cccn2)cc1 ZINC000729928900 578603916 /nfs/dbraw/zinc/60/39/16/578603916.db2.gz OSJPCJUHEGSIME-SFHVURJKSA-N 1 1 341.459 1.730 20 10 EDCDMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)CC1 ZINC000732203308 578697325 /nfs/dbraw/zinc/69/73/25/578697325.db2.gz WPWJYFKIXUGUTG-AWEZNQCLSA-N 1 1 349.431 1.513 20 10 EDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CCO)CC2)cc1 ZINC000778270172 580460321 /nfs/dbraw/zinc/46/03/21/580460321.db2.gz 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